data_r5cipsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-09-23 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5cip 
_cell.length_a      44.6598 
_cell.length_b      134.1702 
_cell.length_c      81.8599 
_cell.angle_alpha   90.0000 
_cell.angle_beta    105.8000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97949 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.480 
_diffrn_reflns.pdbx_d_res_low    78.767 
_diffrn_reflns.limit_h_max       17 
_diffrn_reflns.limit_h_min       -18 
_diffrn_reflns.limit_k_max       54 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       33 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            32803 
_diffrn_reflns.pdbx_number_obs   32242 
# 
_entry.id   5cip 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5cip 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -18 0  9  o 401.405 23.685 35.029  3.9942 34.901  5.7173  35.152  5.5825 394.757 34.822 396.834 33.781 -0.000000      0.000000 
1 1 1 -18 1  9  o 218.091 21.137 10.425  1.9277 9.3394  2.3611  12.597  3.3386 203.670 28.124 233.700 34.795 -30.03001      44.73981 
1 1 1 -17 0  1  o 161.599 40.050 6.6161  2.3723 2.7531  3.4214  10.193  3.2921 94.588  54.110 203.416 43.510 0.000000       0.000000 
1 1 1 -17 0  2  o 138.700 44.534 5.3151  2.3079 6.3362  3.4100  4.4520  3.1351 142.639 57.725 115.694 55.495 0.000000       0.000000 
1 1 1 -17 0  3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -17 0  4  o 345.484 25.077 26.050  3.6246 29.810  5.3178  22.787  4.9536 365.053 35.146 316.066 38.539 -0.000000      0.000000 
1 1 1 -17 0  5  o 369.344 35.394 30.516  5.4193 0.0000  0.0000  30.516  5.4193 369.344 35.394 369.344 35.394 0.000000       0.000000 
1 1 1 -17 0  6  o 378.233 34.238 31.856  5.3808 31.856  5.3808  0.0000  0.0000 378.233 34.238 378.233 34.238 0.000000       0.000000 
1 1 1 -17 0  7  o 314.466 23.815 21.577  3.1298 25.100  4.4511  18.132  4.4016 335.904 31.954 280.193 39.315 -0.000000      0.000000 
1 1 1 -17 0  8  o 58.917  34.122 0.9497  1.3868 1.9978  2.0114  0.0000  1.9146 79.320  42.886 54.332  35.193 -0.000000      0.000000 
1 1 1 -17 0  9  o 60.303  35.185 0.9753  1.4914 0.2574  1.9752  1.9272  2.2745 57.487  36.656 79.432  44.641 0.000000       0.000000 
1 1 1 -17 0  10 o 236.136 26.404 12.440  2.5558 17.234  3.8247  8.5726  3.4355 275.434 34.211 177.664 52.512 -0.000000      0.000000 
1 1 1 -17 0  11 o 420.821 23.015 38.350  4.0736 37.186  5.8978  39.412  5.6332 408.566 34.661 422.406 31.909 -0.000000      0.000000 
1 1 1 -17 0  12 o 297.681 36.889 20.256  4.4584 0.0000  0.0000  20.256  4.4584 297.681 36.889 297.681 36.889 0.000000       0.000000 
1 1 1 -17 0  13 o 332.029 32.145 24.655  4.4226 24.655  4.4226  0.0000  0.0000 332.029 32.145 332.029 32.145 0.000000       0.000000 
1 1 1 -17 0  14 o 61.014  34.108 1.1213  1.3186 3.1082  2.0910  -0.1905 1.6990 97.711  45.480 49.359  32.392 -0.000000      0.000000 
1 1 1 -17 0  15 o 112.534 44.339 3.8418  2.0295 3.8418  2.0295  0.0000  0.0000 112.534 44.339 112.534 44.339 0.000000       0.000000 
1 1 1 -17 0  16 o 126.188 35.681 4.1909  1.6513 5.1739  2.4109  3.3222  2.2664 133.436 46.997 100.375 47.293 -0.000000      0.000000 
1 1 1 -17 0  17 f 363.658 21.588 28.731  3.2979 31.412  4.4366  25.422  4.9302 377.200 28.134 334.163 35.884 0.000000       0.000000 
1 1 1 -17 0  18 o 348.230 20.913 26.336  3.0586 22.693  4.7105  28.991  4.0218 314.524 36.666 362.911 26.493 -0.000000      0.000000 
1 1 1 -17 1  1  o 98.886  30.653 2.1758  1.4166 -0.3881 2.0264  4.6264  1.9811 74.609  32.892 141.221 33.611 -66.61232      47.02771 
1 1 1 -17 1  2  o 463.501 17.037 46.151  3.3441 46.445  4.6531  45.836  4.8093 461.230 23.904 457.592 24.911 3.637390       34.52504 
1 1 1 -17 1  3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -17 1  4  o 167.474 22.026 6.1758  1.5242 7.8378  2.1384  4.4591  2.1733 187.081 27.839 138.171 36.570 48.90933       45.96014 
1 1 1 -17 1  5  o 415.283 24.426 37.695  4.2769 45.194  6.1297  30.582  5.9704 449.652 32.407 364.983 39.243 84.66983       50.89453 
1 1 1 -17 1  6  o 201.603 22.505 8.9172  1.8886 12.705  3.2778  7.0349  2.3107 236.591 33.664 175.509 32.278 61.08171       46.63820 
1 1 1 -17 1  7  o 126.601 22.875 3.5788  1.1813 3.1052  1.6048  4.1390  1.7452 116.340 31.706 134.147 31.294 -17.80673      44.54873 
1 1 1 -17 1  8  o 140.474 21.527 4.3644  1.2398 5.2671  1.7847  3.5226  1.7235 152.436 28.700 123.575 32.500 28.86050       43.35807 
1 1 1 -17 1  9  o 118.790 25.273 3.1920  1.2323 2.7812  1.6861  3.6631  1.8056 110.696 33.274 125.821 33.348 -15.12512      47.10901 
1 1 1 -17 1  10 o 139.483 22.346 4.3216  1.2754 4.9529  1.7675  3.6357  1.8422 147.400 29.346 125.241 33.903 22.15889       44.84008 
1 1 1 -17 1  11 o 239.560 17.419 12.408  1.7551 13.513  2.4514  11.246  2.5140 247.969 23.629 224.775 26.947 23.19353       35.84003 
1 1 1 -17 1  12 o 436.560 18.539 41.119  3.4274 42.954  4.1346  37.089  6.1281 444.529 21.963 402.870 36.308 41.65897       42.43437 
1 1 1 -17 1  13 o 116.334 26.853 3.0950  1.2961 0.2018  2.1687  4.7025  1.6166 82.119  35.115 143.785 27.551 -61.66612      44.63321 
1 1 1 -17 1  14 o 131.475 21.707 3.8541  1.1664 3.3421  1.6166  4.4102  1.6847 119.928 31.444 138.340 29.648 -18.41161      43.21751 
1 1 1 -17 1  15 o 468.987 15.404 47.269  3.0594 47.037  4.2995  47.506  4.3541 464.382 21.863 466.586 22.036 -2.203827      31.04109 
1 1 1 -17 1  16 o 115.243 23.202 3.0060  1.0932 4.0154  1.5283  1.9485  1.5643 132.066 28.185 95.185  32.414 36.88083       42.95427 
1 1 1 -17 1  17 o 239.678 15.833 12.421  1.5980 10.642  2.1746  14.509  2.3562 218.877 23.846 256.808 21.874 -37.93106      32.35876 
1 1 1 -17 1  18 o 281.682 14.880 17.103  1.7687 17.001  2.4605  17.212  2.5442 278.415 21.023 279.860 21.635 -1.445221      30.16713 
1 1 1 -17 2  1  o 232.156 19.231 11.699  1.8737 12.607  2.6028  10.723  2.6994 238.649 26.183 218.403 29.976 20.24583       39.80075 
1 1 1 -17 2  2  f 527.047 16.833 59.655  3.7571 58.667  5.2569  60.687  5.3718 518.967 23.919 527.756 24.035 -8.788513      33.90860 
1 1 1 -17 2  3  o 125.260 35.603 3.6327  1.9778 0.0000  0.0000  3.6327  1.9778 ?       ?      125.260 35.603 0.000000       35.60283 
1 1 1 -17 2  4  o 137.106 24.518 4.2107  1.3714 3.0830  1.8968  5.4457  1.9850 116.344 35.364 154.161 31.470 -37.81712      47.33864 
1 1 1 -17 2  5  o 239.726 21.400 12.533  2.1497 9.5828  2.5977  18.942  3.8292 206.108 30.699 290.615 31.624 -84.50655      44.07372 
1 1 1 -17 2  6  o 198.124 22.086 8.6056  1.8216 7.7777  3.1495  9.0217  2.2330 180.890 41.931 201.331 26.859 -20.44154      49.79583 
1 1 1 -17 2  7  o 220.489 20.910 10.601  1.9291 10.272  2.3360  11.306  3.4209 215.275 26.161 220.968 37.922 -5.692719      46.07073 
1 1 1 -17 2  8  o 215.851 18.505 10.102  1.6752 8.6280  2.3641  11.587  2.3740 195.844 29.414 229.250 24.851 -33.40572      38.50620 
1 1 1 -17 2  9  o 164.617 20.696 5.9467  1.4109 7.0415  1.9181  4.6559  2.0827 177.592 26.299 141.352 34.981 36.24045       43.76466 
1 1 1 -17 2  10 o 236.650 17.864 12.118  1.7771 8.3868  2.4267  16.432  2.6096 192.322 30.838 274.107 22.685 -81.78551      38.28248 
1 1 1 -17 2  11 o 179.635 19.211 7.0408  1.4388 8.6556  1.9743  5.2118  2.1012 197.846 24.059 149.690 33.929 48.15660       41.59340 
1 1 1 -17 2  12 o 233.526 20.769 11.909  2.0325 11.188  2.4120  13.675  3.7749 224.436 25.849 242.406 38.023 -17.97040      45.97752 
1 1 1 -17 2  13 o 121.578 32.092 3.4334  1.6766 0.0000  0.0000  3.4334  1.6766 ?       ?      121.578 32.092 0.000000       32.09223 
1 1 1 -17 2  14 o 206.005 20.444 9.2956  1.7600 10.440  2.2210  7.3640  2.8855 216.878 24.618 175.332 39.775 41.54597       46.77648 
1 1 1 -17 2  15 f 448.773 15.458 43.288  2.9378 48.274  4.1151  38.106  4.1955 471.190 20.622 416.162 23.906 55.02762       31.57165 
1 1 1 -17 2  16 o 208.673 16.606 9.4427  1.4553 10.799  2.0161  7.9678  2.1028 221.445 21.780 187.818 27.232 33.62741       34.87066 
1 1 1 -17 2  17 o 375.356 14.965 30.286  2.3788 30.375  3.2652  30.185  3.4728 372.815 20.763 370.819 22.216 1.996094       30.40862 
1 1 1 -17 2  18 o 152.461 20.596 5.1489  1.2957 6.1350  2.0157  4.4544  1.6915 162.923 30.330 138.530 29.723 24.39273       42.46646 
1 1 1 -17 3  1  o 227.166 19.411 11.211  1.8495 12.020  2.5760  10.350  2.6571 232.783 26.608 214.453 30.084 18.32994       40.16311 
1 1 1 -17 3  2  o 228.254 19.464 11.319  1.8635 11.412  2.6141  11.223  2.6572 226.266 27.870 224.043 28.663 2.222961       39.97863 
1 1 1 -17 3  3  o 229.450 28.363 11.748  2.6974 0.0000  0.0000  11.748  2.6974 ?       ?      229.450 28.363 0.000000       28.36325 
1 1 1 -17 3  4  o 120.153 25.796 3.2699  1.2734 4.9161  1.8559  1.8055  1.7504 146.455 30.895 95.472  34.164 50.98303       46.06173 
1 1 1 -17 3  5  o 288.337 20.186 18.039  2.4493 15.944  2.9839  22.368  4.2883 268.596 26.581 315.469 32.567 -46.87314      42.03801 
1 1 1 -17 3  6  o 139.892 31.253 4.4973  1.8049 0.0000  0.0000  4.4973  1.8049 ?       ?      139.892 31.253 0.000000       31.25319 
1 1 1 -17 3  7  o 390.758 18.841 32.896  3.1178 31.251  3.7740  36.432  5.5333 378.314 23.675 403.234 32.684 -24.91983      40.35795 
1 1 1 -17 3  8  o 187.390 19.342 7.6491  1.5129 7.9159  2.1621  7.3931  2.1176 187.910 28.027 181.307 28.522 6.603317       39.98806 
1 1 1 -17 3  9  o 172.889 20.007 6.5375  1.4378 7.4412  1.9785  5.5262  2.0930 182.614 26.345 154.741 32.949 27.87334       42.18636 
1 1 1 -17 3  10 o 428.204 16.183 39.352  2.9346 38.595  4.0645  40.177  4.2415 420.678 22.901 428.948 23.438 -8.270020      32.76893 
1 1 1 -17 3  11 o 145.512 21.713 4.6889  1.2971 4.9424  1.8501  4.4439  1.8189 146.645 30.773 138.655 31.671 7.989517       44.15923 
1 1 1 -17 3  12 o 257.525 19.764 14.427  2.1390 14.674  2.5336  13.814  3.9913 258.368 23.410 242.294 40.315 16.07376       46.61856 
1 1 1 -17 3  13 o 157.161 29.196 5.6393  1.8717 0.0000  0.0000  5.6393  1.8717 ?       ?      157.161 29.196 0.000000       29.19622 
1 1 1 -17 3  14 o 168.492 21.958 6.2812  1.5296 6.3059  1.9291  6.2392  2.5101 166.556 28.366 162.084 37.338 4.471405       46.89104 
1 1 1 -17 3  15 o 226.227 19.296 11.167  1.8310 10.068  3.0015  11.818  2.3107 207.725 35.389 230.971 23.972 -23.24590      42.74361 
1 1 1 -17 3  16 o 204.480 18.790 9.1296  1.6089 10.298  2.4948  8.2977  2.1052 213.422 28.301 191.977 26.610 21.44554       38.84599 
1 1 1 -17 3  17 o 213.207 18.132 9.9058  1.6216 9.3545  2.5126  10.299  2.1230 202.189 30.276 215.346 23.670 -13.15633      38.43029 
1 1 1 -17 3  18 o 198.881 18.805 8.6508  1.5650 8.5103  2.3976  8.7552  2.0658 192.499 30.421 197.631 25.261 -5.131424      39.54143 
1 1 1 -17 4  1  o 478.955 16.877 49.276  3.4231 48.513  4.7851  50.076  4.8990 471.220 24.059 478.654 24.247 -7.433594      34.15763 
1 1 1 -17 4  2  o 157.023 22.534 5.4550  1.4555 6.5274  2.1101  4.4815  2.0104 169.350 30.546 138.761 34.386 30.58902       45.99414 
1 1 1 -17 4  3  o 348.099 17.130 26.038  2.5252 26.822  3.5462  25.231  3.5967 350.073 24.066 338.939 25.238 11.13416       34.87329 
1 1 1 -17 4  4  o 206.139 19.324 9.2413  1.6672 8.8807  2.3637  9.5983  2.3520 198.874 28.912 207.444 27.447 -8.569672      39.86522 
1 1 1 -17 4  5  o 363.255 18.985 28.514  2.9103 29.037  3.5312  27.407  5.1389 364.894 22.969 347.652 35.398 17.24255       42.19717 
1 1 1 -17 4  6  f 132.251 32.269 4.0404  1.7913 0.0000  0.0000  4.0404  1.7913 ?       ?      132.251 32.269 0.000000       32.26892 
1 1 1 -17 4  7  f 237.204 20.109 12.235  2.0010 9.9169  2.4222  17.217  3.5511 210.792 27.813 277.242 30.764 -66.44977      41.47301 
1 1 1 -17 4  8  o 105.900 26.529 2.5517  1.1873 0.6690  1.7054  4.3225  1.6539 79.451  32.314 137.556 29.289 -58.10425      43.61284 
1 1 1 -17 4  9  o 137.344 23.619 4.2139  1.3243 4.8030  1.8440  3.5865  1.9030 144.589 31.042 124.399 34.772 20.18947       46.61245 
1 1 1 -17 4  10 f 206.191 18.837 9.2414  1.6267 10.422  2.2390  7.9213  2.3673 217.116 24.796 186.638 31.041 30.47809       39.72926 
1 1 1 -17 4  11 f 109.936 25.136 2.7461  1.1448 1.9550  1.5513  3.6921  1.6963 95.719  32.280 126.259 31.755 -30.53977      45.28161 
1 1 1 -17 4  12 o 331.039 18.960 23.746  2.6470 23.564  3.1611  24.173  4.8418 328.062 22.897 324.850 35.789 3.211487       42.48674 
1 1 1 -17 4  13 o 215.314 25.578 10.318  2.2867 0.0000  0.0000  10.318  2.2867 ?       ?      215.314 25.578 0.000000       25.57821 
1 1 1 -17 4  14 o 285.377 22.735 17.892  2.7248 18.744  3.7514  16.940  3.9645 287.628 31.303 270.878 35.407 16.75085       47.26017 
1 1 1 -17 4  15 o 184.802 19.822 7.4907  1.5271 7.2667  2.3602  7.6521  2.0028 177.005 32.690 184.432 26.396 -7.426590      42.01621 
1 1 1 -17 4  16 o 417.704 17.231 37.670  3.0481 39.314  4.7936  36.554  3.9493 420.069 27.091 407.864 22.958 12.20483       35.51014 
1 1 1 -17 4  17 o 258.387 17.986 14.513  1.9558 16.749  3.1015  13.037  2.5200 273.322 27.154 241.941 24.953 31.38132       36.87824 
1 1 1 -17 4  18 o 133.763 28.196 4.1293  1.5469 5.7191  2.0039  1.7849  2.4335 156.760 31.281 101.168 39.418 55.59277       50.32198 
1 1 1 -17 5  1  o 406.434 17.074 35.499  2.9387 37.353  4.1369  33.610  4.1754 413.480 23.724 391.304 25.332 22.17636       34.70702 
1 1 1 -17 5  2  o 243.010 21.705 12.899  2.2102 16.639  2.7488  6.0605  3.7174 275.417 23.801 158.227 49.756 117.1905       55.15583 
1 1 1 -17 5  3  o 413.962 16.963 36.818  2.9738 40.028  4.1669  33.486  4.2454 428.450 23.050 390.319 25.829 38.13058       34.61858 
1 1 1 -17 5  4  o 94.517  30.890 1.9339  1.4231 0.7066  1.6719  5.1619  2.7114 79.320  32.091 147.444 41.609 -68.12416      52.54679 
1 1 1 -17 5  5  o 187.382 23.096 7.7387  1.7939 8.1447  2.0873  6.5912  3.5094 191.162 26.495 164.710 47.619 26.45206       54.49366 
1 1 1 -17 5  6  o 197.686 27.951 8.7474  2.2747 0.0000  0.0000  8.7474  2.2747 ?       ?      197.686 27.951 0.000000       27.95078 
1 1 1 -17 5  7  o 97.656  27.704 2.1551  1.1987 1.7949  1.4592  2.9026  2.1023 92.387  31.307 114.304 37.553 -21.91700      48.89162 
1 1 1 -17 5  8  o 145.488 22.256 4.6918  1.3277 6.3489  1.8818  3.0495  1.8734 168.056 27.384 115.614 35.146 52.44126       44.55524 
1 1 1 -17 5  9  o 143.361 26.431 4.6373  1.5456 3.6553  2.4424  5.2931  1.9960 126.270 40.401 151.548 32.100 -25.27777      51.60076 
1 1 1 -17 5  10 o 158.789 24.727 5.6293  1.6087 3.6756  2.5068  6.9972  2.0975 126.609 40.974 175.807 29.197 -49.19810      50.31224 
1 1 1 -17 5  11 o 178.725 22.920 7.0617  1.6948 4.9136  2.7542  8.3709  2.1501 143.507 42.386 193.358 26.994 -49.85118      50.25202 
1 1 1 -17 5  12 o 129.773 33.203 3.9282  1.8323 2.8103  2.4683  5.3002  2.7345 114.723 40.621 148.549 41.738 -33.82565      58.24220 
1 1 1 -17 5  13 o 152.174 29.549 5.3086  1.8356 0.0000  0.0000  5.3086  1.8356 ?       ?      152.174 29.549 0.000000       29.54944 
1 1 1 -17 5  14 o 451.729 21.004 44.389  4.0181 47.705  5.4077  40.302  6.0039 463.063 27.703 420.385 34.016 42.67734       43.86946 
1 1 1 -17 5  15 o 165.477 24.154 6.1259  1.6428 7.3856  2.1722  4.4426  2.5110 179.812 29.553 136.082 40.538 43.73042       50.16718 
1 1 1 -17 5  16 o 335.427 17.614 24.378  2.4933 24.566  3.8891  24.247  3.2488 331.081 28.000 331.740 23.273 -0.6593018     36.40915 
1 1 1 -17 5  17 o 234.293 18.238 11.954  1.7953 11.287  2.8078  12.416  2.3350 222.174 30.659 236.635 23.616 -14.46106      38.70028 
1 1 1 -17 5  18 o 146.755 26.655 4.9126  1.5956 4.1082  2.0475  6.1563  2.5459 131.238 35.833 159.749 38.157 -28.51163      52.34486 
1 1 1 -17 6  1  o 198.365 20.992 8.6089  1.7367 9.1800  2.3633  7.9384  2.5605 202.355 28.356 185.813 33.784 16.54274       44.10735 
1 1 1 -17 6  2  o 206.291 24.314 9.4009  2.0834 8.8110  2.4858  10.793  3.8192 197.231 30.765 212.355 43.918 -15.12415      53.62126 
1 1 1 -17 6  3  o 427.254 16.921 39.224  3.0616 38.336  4.2054  40.226  4.4660 418.798 23.810 428.511 24.715 -9.713074      34.31796 
1 1 1 -17 6  4  o 167.810 31.856 6.4503  2.1811 6.6912  2.9332  6.1523  3.2620 167.406 41.565 159.548 45.847 7.857910       61.88370 
1 1 1 -17 6  5  f 87.059  32.873 1.3101  1.6563 1.4653  2.0292  1.0001  2.8671 94.019  36.173 100.008 41.415 -5.988197      54.98830 
1 1 1 -17 6  6  o 334.519 25.438 24.604  3.5767 0.0000  0.0000  24.604  3.5767 ?       ?      334.519 25.438 0.000000       25.43833 
1 1 1 -17 6  7  o 299.485 23.659 19.649  2.9763 17.333  4.0068  22.499  4.4454 275.713 35.113 315.345 33.815 -39.63208      48.74833 
1 1 1 -17 6  8  o 204.415 21.233 9.1451  1.8113 8.1133  2.9844  9.7467  2.2790 185.529 39.211 209.362 26.283 -23.83292      47.20512 
1 1 1 -17 6  9  o 166.102 23.882 6.1287  1.6316 4.7962  2.5208  7.0895  2.1405 142.289 40.108 176.849 29.629 -34.55994      49.86478 
1 1 1 -17 6  10 o 379.648 18.681 31.097  3.0035 35.032  4.8818  28.701  3.8099 396.704 29.265 361.283 25.056 35.42087       38.52580 
1 1 1 -17 6  11 o 222.874 21.723 10.888  2.0243 13.516  3.3242  9.3395  2.5520 243.512 33.092 202.857 30.664 40.65503       45.11459 
1 1 1 -17 6  12 f 90.285  32.400 1.6149  1.5754 1.3965  2.1094  1.8904  2.3689 93.796  36.657 102.597 39.175 -8.800934      53.65144 
1 1 1 -17 6  13 o 165.374 22.573 6.0671  1.5396 5.5954  2.3363  6.4292  2.0469 153.739 36.441 167.642 29.929 -13.90355      47.15599 
1 1 1 -17 6  14 o 343.645 23.626 25.988  3.4173 0.0000  0.0000  25.988  3.4173 ?       ?      343.645 23.626 0.000000       23.62556 
1 1 1 -17 6  15 o 212.245 21.951 9.9308  1.9445 7.8115  2.5182  13.060  3.0601 183.102 33.718 239.445 30.899 -56.34236      45.73461 
1 1 1 -17 6  16 o 183.665 20.126 7.4164  1.5398 7.4058  2.3949  7.4239  2.0104 178.359 32.920 181.172 27.030 -2.813431      42.59458 
1 1 1 -17 6  17 o 135.547 22.182 4.1150  1.2293 3.4125  1.9323  4.5927  1.5933 120.327 35.492 141.500 27.579 -21.17265      44.94785 
1 1 1 -17 6  18 o 228.814 22.598 11.581  2.1612 12.228  2.7664  10.567  3.4621 232.236 28.742 209.089 40.562 23.14667       49.71301 
1 1 1 -17 7  1  o 122.683 31.272 3.4726  1.6296 5.0240  2.5939  2.4611  2.0945 145.527 40.568 107.827 37.475 37.69947       55.22847 
1 1 1 -17 7  2  o 417.664 24.315 38.193  4.2822 36.009  5.8560  40.702  6.2778 398.564 35.051 423.683 35.310 -25.11954      49.75301 
1 1 1 -17 7  3  o 310.492 21.147 20.980  2.7641 21.011  4.5453  20.962  3.4819 303.141 36.117 307.787 26.985 -4.645447      45.08440 
1 1 1 -17 7  4  o 190.889 44.473 8.7949  3.5284 0.0000  0.0000  8.7949  3.5284 ?       ?      190.889 44.473 0.000000       44.47260 
1 1 1 -17 7  5  o 342.788 25.496 25.848  3.6748 26.816  4.9438  24.654  5.4934 344.040 34.393 325.600 40.730 18.44000       53.30847 
1 1 1 -17 7  6  o 214.404 22.811 10.100  2.0394 8.8360  3.2053  10.959  2.6435 193.225 40.467 221.117 28.924 -27.89130      49.74092 
1 1 1 -17 7  7  o 399.956 18.929 34.507  3.2061 29.475  5.2203  37.554  4.0626 360.628 34.607 414.729 23.224 -54.10080      41.67731 
1 1 1 -17 7  8  o 142.601 30.153 4.6647  1.7640 1.4981  2.3140  9.0584  2.7258 97.838  38.350 198.724 33.586 -100.8856      50.97779 
1 1 1 -17 7  9  o 82.904  28.768 1.3960  1.2340 0.4723  2.1406  1.8557  1.5102 84.434  35.438 93.724  31.849 -9.290138      47.64714 
1 1 1 -17 7  10 o 278.370 19.876 16.845  2.3277 14.612  3.8052  18.180  2.9424 251.413 36.831 287.395 24.407 -35.98212      44.18420 
1 1 1 -17 7  11 o 243.417 20.692 12.937  2.1128 12.167  3.4706  13.391  2.6632 228.670 37.111 245.584 26.003 -16.91365      45.31399 
1 1 1 -17 7  12 o 333.577 23.479 24.434  3.2956 25.742  4.3872  22.739  4.9926 338.065 30.989 312.602 38.529 25.46243       49.44453 
1 1 1 -17 7  13 o 142.195 24.018 4.5405  1.3948 3.5379  2.0578  5.3926  1.8971 122.944 36.715 153.004 30.350 -30.06004      47.63535 
1 1 1 -17 7  14 o 231.696 26.159 11.989  2.5218 0.0000  0.0000  11.989  2.5218 ?       ?      231.696 26.159 0.000000       26.15917 
1 1 1 -17 7  15 o 409.755 20.856 36.652  3.6071 34.421  4.7799  39.603  5.4975 391.606 29.029 418.325 31.258 -26.71951      42.65831 
1 1 1 -17 7  16 o 73.371  25.749 1.0771  0.9899 0.7653  1.5935  1.2730  1.2633 78.055  31.417 80.613  29.005 -2.557968      42.75837 
1 1 1 -17 7  17 o 154.828 21.602 5.3295  1.3778 9.1230  2.1446  2.6632  1.7980 201.619 25.702 107.976 34.676 93.64283       43.16262 
1 1 1 -17 7  18 f 101.672 29.849 2.3787  1.3695 1.0805  1.7684  4.3239  2.1647 84.670  33.419 134.276 36.920 -49.60584      49.79871 
1 1 1 -17 8  1  o 146.259 28.428 4.8640  1.6974 3.6711  2.7393  5.6075  2.1626 127.539 42.896 155.475 33.809 -27.93543      54.61787 
1 1 1 -17 8  2  o 144.903 34.798 4.9025  2.1085 4.5217  2.6879  5.5117  3.3998 138.479 42.099 151.470 47.575 -12.99138      63.52745 
1 1 1 -17 8  3  o 344.267 20.199 25.720  2.9319 24.652  4.8210  26.347  3.6934 329.126 35.132 346.054 25.379 -16.92725      43.33985 
1 1 1 -17 8  4  o 592.315 34.868 79.296  8.7077 0.0000  0.0000  79.296  8.7077 ?       ?      592.315 34.868 0.000000       34.86806 
1 1 1 -17 8  5  o 223.060 27.909 11.117  2.5787 9.7040  3.4232  12.971  3.9209 202.133 41.383 234.735 40.931 -32.60229      58.20550 
1 1 1 -17 8  6  f 152.556 26.460 5.2411  1.6475 4.9063  2.4995  5.4982  2.1907 143.866 39.720 153.627 34.515 -9.760651      52.62075 
1 1 1 -17 8  7  o 263.092 25.809 15.306  2.8386 0.0000  0.0000  15.306  2.8386 ?       ?      263.092 25.809 0.000000       25.80933 
1 1 1 -17 8  8  o 296.525 23.723 19.295  2.9541 16.238  3.9185  23.320  4.4962 266.055 35.677 320.787 33.595 -54.73248      49.00487 
1 1 1 -17 8  9  o 342.188 19.223 25.373  2.7744 23.834  4.5297  26.297  3.5099 324.249 33.468 346.159 24.093 -21.91055      41.23825 
1 1 1 -17 8  10 o 286.169 19.658 17.796  2.3679 10.993  3.8612  21.896  2.9977 213.379 44.184 316.344 22.523 -102.9656      49.59350 
1 1 1 -17 8  11 f 233.804 20.622 11.945  2.0210 7.1261  3.1616  15.275  2.6280 171.133 43.524 263.310 23.825 -92.17709      49.61847 
1 1 1 -17 8  12 o 237.408 23.979 12.457  2.3778 11.408  3.0309  14.137  3.8345 222.959 33.105 245.794 38.068 -22.83542      50.44926 
1 1 1 -17 8  13 o 542.864 17.942 63.651  4.1249 63.712  6.4576  63.609  5.3612 534.424 28.637 538.920 23.490 -4.495972      37.03869 
1 1 1 -17 8  14 o 403.971 17.618 35.245  3.0140 33.085  4.6596  36.799  3.9522 384.224 28.847 409.469 22.883 -25.24484      36.82117 
1 1 1 -17 8  15 o 230.900 25.423 11.895  2.4448 0.0000  0.0000  11.895  2.4448 ?       ?      230.900 25.423 0.000000       25.42299 
1 1 1 -17 8  16 o 55.036  23.761 -0.0491 1.0111 -0.3084 1.4608  0.1893  1.4008 63.097  27.867 67.252  28.470 -4.154289      39.83807 
1 1 1 -17 8  17 o 183.499 19.796 7.4015  1.5140 6.4579  2.3361  8.0848  1.9881 165.384 34.472 189.750 25.376 -24.36610      42.80459 
1 1 1 -17 9  1  f 218.723 27.601 10.680  2.4997 11.961  3.4722  9.3023  3.6016 227.103 37.405 196.392 44.352 30.71089       58.01907 
1 1 1 -17 9  2  o 422.061 24.967 39.096  4.4427 35.999  5.9449  43.014  6.6860 397.758 35.672 434.138 36.710 -36.37979      51.18697 
1 1 1 -17 9  3  o 435.457 19.786 40.996  3.6488 49.978  6.0551  35.874  4.5722 473.422 30.361 403.033 26.944 70.38931       40.59278 
1 1 1 -17 9  4  f 168.567 43.786 6.8746  3.1538 0.0000  0.0000  6.8746  3.1538 ?       ?      168.567 43.786 0.000000       43.78588 
1 1 1 -17 9  5  o 391.697 24.013 33.613  3.9640 34.086  5.3299  33.029  5.9300 389.022 32.654 379.443 37.389 9.578552       49.64094 
1 1 1 -17 9  6  o 281.207 20.107 17.193  2.3787 13.436  3.7793  19.657  3.0611 240.164 38.456 298.999 24.387 -58.83495      45.53697 
1 1 1 -17 9  7  o 168.143 31.417 6.4817  2.1549 0.0000  0.0000  6.4817  2.1549 ?       ?      168.143 31.417 0.000000       31.41702 
1 1 1 -17 9  8  o 307.127 23.392 20.686  3.0197 19.054  3.9774  22.906  4.6396 289.844 32.991 316.683 35.190 -26.83920      48.23656 
1 1 1 -17 9  9  o 372.817 19.099 30.110  3.0053 28.490  4.9206  31.073  3.7955 354.736 33.138 376.357 23.938 -21.62128      40.88002 
1 1 1 -17 9  10 o 249.298 20.623 13.567  2.1577 16.683  3.5516  11.744  2.7166 271.550 31.467 228.618 28.690 42.93121       42.58285 
1 1 1 -17 9  11 o 166.586 22.558 6.1522  1.5505 6.6176  2.3868  5.8124  2.0394 168.282 34.646 158.690 31.458 9.592072       46.79737 
1 1 1 -17 9  12 o 344.816 21.955 26.013  3.1893 25.272  4.1041  27.144  5.0676 335.784 29.150 343.770 35.311 -7.986816      45.78846 
1 1 1 -17 9  13 f 190.666 20.494 7.9849  1.6288 7.5394  2.4607  8.3323  2.1730 180.054 33.504 192.180 27.483 -12.12511      43.33378 
1 1 1 -17 9  14 o 314.708 18.303 21.497  2.4288 18.628  3.7291  23.610  3.2009 286.252 31.270 327.473 23.232 -41.22070      38.95569 
1 1 1 -17 9  15 o 355.127 23.946 27.842  3.5803 0.0000  0.0000  27.842  3.5803 ?       ?      355.127 23.946 0.000000       23.94631 
1 1 1 -17 9  16 f 193.477 23.635 8.3366  1.8963 9.5664  2.4998  6.6694  2.9104 204.712 29.702 164.899 41.662 39.81323       51.16534 
1 1 1 -17 9  17 o 192.156 19.551 8.1031  1.5688 9.9247  2.4118  6.7669  2.0656 209.337 27.899 171.621 29.483 37.71635       40.59056 
1 1 1 -17 10 1  o 179.358 30.803 7.3252  2.2554 4.9067  3.0965  10.058  3.2916 143.814 45.435 207.051 38.969 -63.23714      59.85761 
1 1 1 -17 10 2  o 152.049 29.717 5.2825  1.8449 5.3624  3.2178  5.2433  2.2517 149.409 46.180 149.450 36.004 -0.4096985E-01 58.55666 
1 1 1 -17 10 3  o 163.993 26.936 6.0544  1.8057 7.5825  3.0694  5.2456  2.2330 177.954 41.493 149.517 35.749 28.43660       54.76901 
1 1 1 -17 10 4  o 123.356 43.873 3.2880  2.8824 0.0000  0.0000  3.2880  2.8824 ?       ?      123.356 43.873 0.000000       43.87253 
1 1 1 -17 10 5  o 284.551 25.383 17.878  3.0267 14.173  4.1304  22.175  4.4479 245.013 41.274 312.193 34.202 -67.18001      53.60388 
1 1 1 -17 10 6  o 327.807 19.884 23.332  2.7473 22.271  4.4869  23.969  3.4749 312.658 34.459 329.892 25.060 -17.23434      42.60798 
1 1 1 -17 10 7  o 361.639 25.081 28.790  3.8174 0.0000  0.0000  28.790  3.8174 ?       ?      361.639 25.081 0.000000       25.08058 
1 1 1 -17 10 8  o 383.029 18.780 31.687  3.0463 25.149  4.7468  36.266  3.9722 332.363 34.214 407.113 23.135 -74.75006      41.30134 
1 1 1 -17 10 9  o 318.161 23.711 22.240  3.1718 18.573  4.2438  26.879  4.7740 283.920 36.113 344.235 33.158 -60.31458      49.02640 
1 1 1 -17 10 10 o 359.347 18.574 27.970  2.8170 28.169  4.3732  27.828  3.6828 354.775 29.372 355.455 24.617 -0.6801758     38.32361 
1 1 1 -17 10 11 o 313.035 18.602 21.254  2.4549 19.595  3.7963  22.447  3.2184 294.466 30.904 319.262 23.979 -24.79608      39.11551 
1 1 1 -17 10 12 o 267.812 22.994 15.791  2.5826 15.574  3.3200  16.124  4.1099 262.265 30.459 262.338 38.108 -0.7287598E-01 48.78521 
1 1 1 -17 10 13 o 120.318 25.556 3.3035  1.2620 3.4694  1.9445  3.1827  1.6588 121.572 35.532 116.816 32.398 4.755974       48.08465 
1 1 1 -17 10 14 o 256.577 18.858 14.338  2.0347 13.921  3.1365  14.641  2.6736 247.350 30.595 256.688 24.908 -9.337250      39.45203 
1 1 1 -17 10 15 o 114.421 31.986 3.0569  1.6102 0.0000  0.0000  3.0569  1.6102 ?       ?      114.421 31.986 0.000000       31.98627 
1 1 1 -17 10 16 o 146.469 29.790 4.9695  1.7849 0.0000  0.0000  4.9695  1.7849 ?       ?      146.469 29.790 0.000000       29.79008 
1 1 1 -17 10 17 o 385.876 20.781 32.572  3.3834 33.457  4.4550  31.367  5.2009 386.600 27.388 369.303 33.623 17.29764       43.36584 
1 1 1 -17 11 1  o 132.061 35.909 4.0816  2.0612 3.5649  2.8239  4.6708  3.0155 126.457 43.538 140.714 44.878 -14.25648      62.52674 
1 1 1 -17 11 2  o 112.885 31.214 2.9318  1.5422 1.2477  2.6940  3.7528  1.8809 99.823  40.609 126.916 34.217 -27.09309      53.10239 
1 1 1 -17 11 3  o 158.530 26.809 5.6658  1.7357 4.7916  2.9790  6.1151  2.1356 141.964 44.524 162.915 32.096 -20.95065      54.88670 
1 1 1 -17 11 4  o 203.998 30.001 9.4169  2.5144 0.0000  0.0000  9.4169  2.5144 ?       ?      203.998 30.001 0.000000       30.00121 
1 1 1 -17 11 5  o 139.875 27.942 4.4601  1.5973 4.0780  2.8005  4.6443  1.9446 132.467 43.335 141.217 33.093 -8.749832      54.52621 
1 1 1 -17 11 6  o 352.571 19.578 26.971  2.9118 29.922  4.8356  25.292  3.6471 364.565 31.635 338.497 25.632 26.06754       40.71523 
1 1 1 -17 11 7  o 410.920 19.003 36.495  3.3068 37.613  5.2262  35.748  4.2704 409.849 30.326 402.943 25.151 6.906067       39.39838 
1 1 1 -17 11 8  o 283.145 26.337 17.792  3.1218 0.0000  0.0000  17.792  3.1218 ?       ?      283.145 26.337 0.000000       26.33700 
1 1 1 -17 11 9  o 280.123 23.678 17.275  2.7826 11.771  3.6326  25.091  4.3284 222.977 39.936 333.696 30.983 -110.7192      50.54548 
1 1 1 -17 11 10 o 241.868 20.569 12.788  2.0868 9.5190  3.1246  15.420  2.8039 200.790 38.140 263.679 25.425 -62.88870      45.83743 
1 1 1 -17 11 11 o 315.507 18.597 21.599  2.4738 22.155  3.7745  21.181  3.2754 314.460 28.658 309.330 25.223 5.129883       38.17676 
1 1 1 -17 11 12 o 116.455 30.438 3.1500  1.5179 4.6271  1.9992  1.1396  2.3323 140.161 34.023 93.462  37.871 46.69913       50.90991 
1 1 1 -17 11 13 o 197.582 20.453 8.5743  1.6866 6.0519  2.5513  10.532  2.2479 158.733 38.376 217.448 24.857 -58.71489      45.72306 
1 1 1 -17 11 14 o 220.127 19.538 10.599  1.8024 9.1934  2.8004  11.592  2.3551 198.328 34.601 228.162 24.771 -29.83414      42.55363 
1 1 1 -17 11 15 o 68.739  25.653 0.8284  1.0027 0.0001  1.5503  1.4241  1.3147 68.224  29.438 83.821  29.649 -15.59675      41.78128 
1 1 1 -17 11 16 o 85.202  30.750 1.4370  1.4211 0.0000  0.0000  1.4370  1.4211 ?       ?      85.202  30.750 0.000000       30.74957 
1 1 1 -17 12 1  o 166.449 44.778 6.7285  3.2255 6.7285  3.2255  0.0000  0.0000 166.449 44.778 ?       ?      0.000000       44.77836 
1 1 1 -17 12 2  o 231.285 27.783 11.953  2.6669 10.474  3.6552  13.636  3.8997 209.173 42.707 241.245 39.541 -32.07214      58.20121 
1 1 1 -17 12 3  o 349.847 20.388 26.602  3.0076 27.794  4.9710  25.913  3.7773 349.855 33.980 342.403 26.250 7.451538       42.93813 
1 1 1 -17 12 4  o 129.858 35.530 3.9534  2.0106 0.0000  0.0000  3.9534  2.0106 ?       ?      129.858 35.530 0.000000       35.52966 
1 1 1 -17 12 5  o 153.441 26.133 5.3064  1.6373 4.5801  2.6401  5.7603  2.0871 138.749 41.621 157.789 32.321 -19.03969      52.69661 
1 1 1 -17 12 6  o 258.614 25.608 14.824  2.7677 16.027  3.7006  13.296  4.1695 264.835 33.763 235.410 43.423 29.42438       55.00450 
1 1 1 -17 12 7  o 357.230 19.124 27.673  2.8827 25.096  4.5100  29.454  3.7483 332.902 32.401 365.954 24.324 -33.05188      40.51524 
1 1 1 -17 12 8  o 344.599 25.446 26.236  3.6872 0.0000  0.0000  26.236  3.6872 ?       ?      344.599 25.446 0.000000       25.44604 
1 1 1 -17 12 9  o 332.472 23.013 24.259  3.2202 23.751  4.2487  24.945  4.9365 324.181 31.339 329.066 36.011 -4.884796      47.73812 
1 1 1 -17 12 10 o 341.968 18.750 25.370  2.7050 15.292  4.0616  33.403  3.6262 255.043 38.830 390.817 21.999 -135.7740      44.62899 
1 1 1 -17 12 11 o 272.871 19.242 16.209  2.2094 18.259  3.3140  14.568  2.9642 285.649 27.745 254.805 27.927 30.84435       39.36652 
1 1 1 -17 12 12 o 94.617  31.475 1.9530  1.4751 2.1225  1.9468  1.7244  2.2602 101.030 36.043 98.984  38.150 2.045868       52.48348 
1 1 1 -17 12 13 o 120.213 26.728 3.3190  1.3255 1.6693  1.9482  4.7408  1.8086 94.754  35.681 142.782 30.815 -48.02758      47.14505 
1 1 1 -17 12 14 o 370.758 18.067 29.752  2.8368 25.775  4.2987  32.820  3.7756 337.349 30.416 386.086 23.199 -48.73706      38.25400 
1 1 1 -17 12 15 o 218.040 20.250 10.433  1.8485 15.011  2.8102  6.9410  2.4542 259.172 25.952 171.391 34.996 87.78133       43.56893 
1 1 1 -17 12 16 o 158.501 23.692 5.6348  1.5415 5.6258  2.3664  5.6415  2.0316 153.057 36.933 155.339 31.949 -2.282394      48.83417 
1 1 1 -17 13 2  o 182.241 32.868 7.6416  2.4433 7.6069  3.3221  7.6824  3.6063 176.849 44.417 176.574 47.283 0.2741089      64.87334 
1 1 1 -17 13 3  o 457.809 19.621 45.346  3.8040 52.730  6.2702  41.045  4.7853 485.473 30.656 431.188 26.332 54.28491       40.41218 
1 1 1 -17 13 4  o 158.133 33.994 5.8305  2.2088 0.0000  0.0000  5.8305  2.2088 ?       ?      158.133 33.994 0.000000       33.99448 
1 1 1 -17 13 5  o 222.432 22.729 10.892  2.1110 13.388  3.4531  9.4028  2.6675 241.143 34.823 202.679 32.151 38.46436       47.39519 
1 1 1 -17 13 6  o 295.472 25.138 19.296  3.1156 16.503  4.1470  22.914  4.7207 266.202 37.852 315.590 35.964 -49.38809      52.21267 
1 1 1 -17 13 7  o 284.057 20.869 17.616  2.4929 17.902  3.8985  17.418  3.2425 279.928 33.554 279.254 27.787 0.6737366      43.56635 
1 1 1 -17 13 8  o 127.663 28.990 3.7575  1.5315 2.5942  2.3373  4.6328  2.0275 110.730 39.494 140.354 34.382 -29.62466      52.36274 
1 1 1 -17 13 9  o 107.907 35.423 2.6085  1.8707 0.0000  0.0000  2.6085  1.8707 ?       ?      107.907 35.423 0.000000       35.42314 
1 1 1 -17 13 10 o 403.609 21.755 35.614  3.7047 33.822  4.7993  38.256  5.8274 388.303 29.404 409.382 33.918 -21.07953      44.88899 
1 1 1 -17 13 11 o 283.436 19.473 17.501  2.3232 17.428  3.5902  17.554  3.0473 276.961 31.150 280.890 25.909 -3.928375      40.51654 
1 1 1 -17 13 12 o 204.877 20.923 9.2299  1.7898 9.9136  2.6647  8.6679  2.4160 207.954 31.222 194.648 30.295 13.30623       43.50352 
1 1 1 -17 13 13 o 219.191 21.245 10.570  1.9473 12.670  2.9235  8.8959  2.6108 236.082 29.912 196.016 32.596 40.06618       44.24085 
1 1 1 -17 13 14 o 346.766 18.667 26.140  2.7312 29.187  4.1475  23.807  3.6293 361.262 27.311 326.631 26.465 34.63092       38.03008 
1 1 1 -17 13 15 o 242.409 19.650 12.855  1.9998 13.070  2.9765  12.677  2.7001 239.524 30.002 237.230 27.378 2.293823       40.61657 
1 1 1 -17 14 2  o 393.032 24.211 33.898  4.0102 33.420  5.4276  34.472  5.9511 384.040 33.714 387.798 36.672 -3.757111      49.81416 
1 1 1 -17 14 3  o 304.614 21.449 20.256  2.7493 20.692  4.5783  20.010  3.4383 299.460 36.881 299.965 27.368 -0.5048218     45.92581 
1 1 1 -17 14 4  o 226.029 22.917 11.251  2.1633 8.3065  3.6122  12.897  2.7014 183.540 46.437 240.445 26.996 -56.90533      53.71357 
1 1 1 -17 14 5  o 391.516 23.429 33.617  3.8668 31.789  5.2365  35.808  5.7342 374.142 33.401 396.338 34.508 -22.19608      48.02509 
1 1 1 -17 14 6  o 156.847 32.603 5.7151  2.0949 5.5987  2.8691  5.8480  3.0660 151.920 42.778 154.757 44.442 -2.837173      61.68471 
1 1 1 -17 14 7  o 304.448 20.075 20.188  2.5737 19.133  4.0158  20.924  3.3528 289.422 33.375 307.118 26.023 -17.69647      42.32171 
1 1 1 -17 14 8  o 104.884 31.298 2.5163  1.4958 0.2352  2.2487  4.3264  2.0032 83.500  35.732 135.457 34.750 -51.95690      49.84295 
1 1 1 -17 14 9  o 135.161 35.905 4.3292  2.0900 0.0000  0.0000  4.3292  2.0900 ?       ?      135.161 35.905 0.000000       35.90468 
1 1 1 -17 14 10 o 177.284 29.281 7.1734  2.1216 7.8572  2.6627  5.9842  3.5113 182.780 35.679 155.113 48.289 27.66650       60.04026 
1 1 1 -17 14 11 o 200.117 22.879 8.8710  1.9041 6.5120  2.6884  11.245  2.6971 164.382 39.174 222.691 29.312 -58.30971      48.92630 
1 1 1 -17 14 12 o 395.129 18.554 33.819  3.1047 35.856  4.7445  32.294  4.1059 400.192 28.174 381.549 25.558 18.64294       38.03965 
1 1 1 -17 14 13 o 215.480 24.546 10.349  2.1999 10.599  2.6739  9.8244  3.8702 215.487 30.125 197.796 46.913 17.69165       55.75252 
1 1 1 -17 14 14 o 402.442 18.307 35.092  3.1200 38.237  4.7117  32.636  4.1638 413.829 27.034 383.082 25.816 30.74643       37.38033 
1 1 1 -17 15 3  o 306.732 25.316 20.782  3.2591 24.299  4.5015  16.907  4.7246 327.342 32.918 266.115 43.421 61.22687       54.48849 
1 1 1 -17 15 4  o 290.349 20.933 18.398  2.5566 13.815  4.1137  21.282  3.2634 240.838 41.852 310.459 25.034 -69.62085      48.76764 
1 1 1 -17 15 5  o 137.798 34.237 4.4597  1.9891 2.9424  2.6600  6.3845  2.9959 117.340 42.102 161.953 42.971 -44.61325      60.15871 
1 1 1 -17 15 6  o 139.271 33.327 4.5433  1.9393 4.5825  2.5815  4.4925  2.9384 138.382 41.076 137.421 44.350 0.9603882      60.44935 
1 1 1 -17 15 7  o 254.095 21.601 14.157  2.3023 15.411  3.5376  13.236  3.0325 259.585 32.920 241.697 30.292 17.88760       44.73611 
1 1 1 -17 15 8  o 272.098 20.076 16.155  2.2970 17.539  3.4872  15.094  3.0529 278.677 30.022 259.253 28.264 19.42374       41.23333 
1 1 1 -17 15 9  o 271.842 26.412 16.477  3.0022 0.0000  0.0000  16.477  3.0022 ?       ?      271.842 26.412 0.000000       26.41188 
1 1 1 -17 15 10 o 226.385 30.760 11.687  2.8726 0.0000  0.0000  11.687  2.8726 ?       ?      226.385 30.760 0.000000       30.75953 
1 1 1 -17 15 11 o 161.673 29.815 6.0147  1.9662 4.5224  2.4192  8.9187  3.3746 137.095 39.508 190.910 42.798 -53.81483      58.24544 
1 1 1 -17 15 12 o 69.851  27.960 0.6099  1.2545 -0.3957 1.6711  1.9085  1.8990 66.835  29.647 97.412  35.486 -30.57687      46.24014 
1 1 1 -17 15 13 o 245.011 24.456 13.348  2.5037 12.458  3.1247  14.944  4.1844 232.422 32.646 249.400 41.047 -16.97859      52.44588 
1 1 1 -17 15 14 o 215.564 21.970 10.265  1.9776 11.373  2.8966  9.2980  2.7065 222.344 31.656 199.958 33.121 22.38576       45.81640 
1 1 1 -17 16 4  o 154.770 28.094 5.4510  1.7736 5.8140  2.9466  5.2448  2.2210 154.667 43.281 149.119 35.652 5.548080       56.07434 
1 1 1 -17 16 5  o 87.504  32.449 1.4216  1.5992 3.4286  2.1119  -1.2761 2.4484 121.391 37.393 75.208  34.380 46.18239       50.79612 
1 1 1 -17 16 6  o 203.548 43.128 10.053  3.6021 0.0000  0.0000  10.053  3.6021 ?       ?      203.548 43.128 0.000000       43.12820 
1 1 1 -17 16 7  o 350.859 19.614 26.772  2.9027 29.455  4.4644  24.807  3.8204 362.313 29.349 333.624 27.278 28.68912       40.06818 
1 1 1 -17 16 8  o 66.711  27.346 0.4125  1.2334 0.6945  1.6889  0.0901  1.8054 78.922  32.135 74.329  31.918 4.592857       45.29272 
1 1 1 -17 16 9  o 108.097 30.184 2.7014  1.4347 2.8854  2.1753  2.5597  1.9087 113.308 38.225 107.145 35.808 6.163246       52.37764 
1 1 1 -17 16 10 o 253.732 29.751 14.588  3.1362 0.0000  0.0000  14.588  3.1362 ?       ?      253.732 29.751 0.000000       29.75134 
1 1 1 -17 16 11 o 87.594  31.887 1.4994  1.5330 1.8552  1.8771  0.7870  2.6562 96.479  35.260 94.069  39.479 2.409286       52.93266 
1 1 1 -17 16 12 o 89.236  32.893 1.5317  1.6385 2.8083  2.0448  -0.7584 2.7388 111.298 37.059 83.090  37.329 28.20873       52.60096 
1 1 1 -17 16 13 o 197.707 25.725 8.7800  2.1028 8.5064  2.5549  9.3546  3.7026 191.326 32.707 193.256 45.919 -1.929169      56.37663 
1 1 1 -17 17 6  o 226.311 29.130 11.572  2.7270 0.0000  0.0000  11.572  2.7270 ?       ?      226.311 29.130 0.000000       29.12955 
1 1 1 -17 17 7  o 345.097 22.918 26.160  3.3303 22.755  4.3438  31.016  5.1871 315.742 32.972 368.535 33.605 -52.79260      47.07961 
1 1 1 -17 17 8  o 57.541  25.945 -0.5840 1.3372 -1.6184 2.2852  -0.0454 1.6490 69.856  32.391 69.888  30.258 -0.3256989E-01 44.32519 
1 1 1 -17 17 9  o 64.653  27.320 0.1741  1.2862 -0.8922 2.1602  0.7597  1.6008 72.452  32.794 78.176  31.481 -5.724319      45.45873 
1 1 1 -17 17 10 o 434.366 18.402 40.857  3.3851 39.264  5.2250  42.009  4.4437 417.557 29.742 436.390 24.139 -18.83328      38.30527 
1 1 1 -17 17 11 o 208.065 31.890 9.9745  2.7203 0.0000  0.0000  9.9745  2.7203 ?       ?      208.065 31.890 0.000000       31.88969 
1 1 1 -16 0  1  o 311.497 26.552 21.251  3.4441 21.640  4.8878  20.867  4.8538 308.580 39.114 302.419 39.816 0.000000       0.000000 
1 1 1 -16 0  2  o 110.147 45.178 3.6881  2.0806 2.8106  2.9932  4.5085  2.8941 94.461  51.894 118.738 53.593 0.000000       0.000000 
1 1 1 -16 0  3  o 301.653 38.011 20.640  4.6463 0.0000  0.0000  20.640  4.6463 301.653 38.011 301.653 38.011 0.000000       0.000000 
1 1 1 -16 0  4  o 62.992  39.320 0.5815  2.1420 0.0000  0.0000  0.5815  2.1420 62.992  39.320 62.992  39.320 -0.000000      0.000000 
1 1 1 -16 0  5  o 294.540 36.388 19.605  4.3528 19.605  4.3528  0.0000  0.0000 294.540 36.388 294.540 36.388 0.000000       0.000000 
1 1 1 -16 0  6  o 378.085 23.555 30.922  3.7380 31.526  5.2512  30.302  5.3221 377.815 33.421 369.636 34.701 -0.000000      0.000000 
1 1 1 -16 0  7  o 436.584 23.148 41.093  4.2524 47.439  6.1508  35.282  5.8855 466.038 31.495 399.154 35.461 -0.000000      0.000000 
1 1 1 -16 0  8  o 556.691 22.933 66.593  5.3857 82.986  7.7895  51.580  7.4545 618.816 29.883 483.482 36.902 -0.000000      0.000000 
1 1 1 -16 0  9  o 469.216 22.950 47.415  4.5356 40.819  6.2690  54.660  6.5700 430.069 34.952 500.634 31.268 0.000000       0.000000 
1 1 1 -16 0  10 o 274.332 39.471 17.326  4.3099 0.0000  0.0000  17.326  4.3099 274.332 39.471 274.332 39.471 0.000000       0.000000 
1 1 1 -16 0  11 o 185.016 42.231 8.4833  2.8831 8.4833  2.8831  0.0000  0.0000 185.016 42.231 185.016 42.231 0.000000       0.000000 
1 1 1 -16 0  12 o 73.717  36.843 1.7403  1.4031 -0.0001 2.1675  2.9958  1.8409 57.834  37.456 97.982  42.723 -0.000000      0.000000 
1 1 1 -16 0  13 o 189.990 26.926 8.1985  2.0409 8.0685  3.0748  8.3008  2.7285 175.652 47.817 184.079 39.925 -0.000000      0.000000 
1 1 1 -16 0  14 o 95.625  37.429 2.7124  1.4500 0.5080  1.8937  5.8367  2.2544 59.082  36.920 149.743 41.114 0.000000       0.000000 
1 1 1 -16 0  15 o 333.627 22.243 24.150  3.1106 25.282  4.2067  22.784  4.6203 338.262 29.904 317.952 35.440 0.000000       0.000000 
1 1 1 -16 0  16 o 321.091 22.080 22.395  2.9699 18.882  4.4611  25.191  3.9800 286.442 38.778 338.267 28.236 -0.000000      0.000000 
1 1 1 -16 0  17 o 245.020 36.842 13.938  3.5678 0.0000  0.0000  13.938  3.5678 245.020 36.842 245.020 36.842 0.000000       0.000000 
1 1 1 -16 0  18 o 37.292  24.406 -0.1099 0.9550 0.0000  0.0000  -0.1099 0.9550 37.292  24.406 37.292  24.406 -0.000000      0.000000 
1 1 1 -16 0  19 o 170.742 23.608 6.6139  1.6140 6.4749  2.6191  6.6989  2.0494 154.372 46.019 167.167 32.465 -0.000000      0.000000 
1 1 1 -16 0  20 o 369.335 19.940 29.518  3.0981 32.241  4.0261  25.565  4.8511 383.852 25.011 335.673 34.996 0.000000       0.000000 
1 1 1 -16 0  21 o 97.641  31.970 2.6323  1.1717 3.7920  1.4979  0.8040  1.8807 119.995 34.029 61.612  37.717 0.000000       0.000000 
1 1 1 -16 0  22 o 31.435  20.393 -0.0262 0.6462 -0.1134 0.8379  0.1017  1.0151 34.674  22.752 41.002  26.197 0.000000       0.000000 
1 1 1 -16 1  1  o 184.081 22.324 7.4086  1.7047 9.0990  2.4686  5.8677  2.3569 202.058 29.738 159.815 35.722 42.24329       46.48055 
1 1 1 -16 1  2  o 96.542  29.039 2.0597  1.2839 1.1669  2.0472  2.6384  1.6483 91.486  36.005 108.832 32.941 -17.34641      48.80027 
1 1 1 -16 1  3  o 350.449 24.039 26.679  3.5461 25.906  4.9993  27.461  5.0308 340.498 35.177 351.108 34.271 -10.60944      49.11105 
1 1 1 -16 1  4  o 593.417 23.315 76.061  5.8593 77.549  8.3062  74.587  8.2665 592.393 33.244 580.551 33.769 11.84235       47.38661 
1 1 1 -16 1  5  o 92.931  36.955 1.1262  2.1775 0.0000  0.0000  1.1262  2.1775 ?       ?      92.931  36.955 0.000000       36.95510 
1 1 1 -16 1  6  o 418.401 16.236 37.427  2.8769 37.321  4.0634  37.533  4.0737 415.132 23.206 416.315 23.198 -1.183655      32.81284 
1 1 1 -16 1  7  o 383.482 16.327 31.445  2.6516 29.437  3.7152  33.530  3.7855 368.246 23.954 393.550 22.811 -25.30347      33.07759 
1 1 1 -16 1  8  o 464.890 16.072 46.205  3.1642 45.891  4.4569  46.524  4.4930 461.074 22.825 464.229 22.854 -3.155090      32.29995 
1 1 1 -16 1  9  o 384.837 15.996 31.666  2.6070 34.079  3.6832  29.243  3.6904 396.952 21.996 366.927 23.880 30.02460       32.46636 
1 1 1 -16 1  10 o 402.658 23.522 35.187  3.9935 37.071  5.6891  33.357  5.6071 408.522 33.171 386.596 34.615 21.92618       47.94241 
1 1 1 -16 1  11 o 106.245 26.710 2.5529  1.2005 1.6832  1.9246  3.1068  1.5359 96.199  35.612 116.802 30.662 -20.60323      46.99342 
1 1 1 -16 1  12 o 614.209 15.844 80.727  4.1212 83.611  5.7833  77.752  5.8743 622.093 21.952 599.234 23.148 22.85883       31.90182 
1 1 1 -16 1  13 o 330.459 15.920 23.380  2.2280 22.018  3.1048  24.826  3.1990 317.944 23.219 337.995 22.477 -20.05057      32.31655 
1 1 1 -16 1  14 o 118.367 22.455 3.1285  1.0844 3.2237  1.5473  3.0366  1.5203 118.690 30.591 115.280 30.622 3.410133       43.28426 
1 1 1 -16 1  15 o 183.239 17.663 7.2774  1.3537 8.9286  1.9305  5.6802  1.8987 201.642 23.020 158.341 29.397 43.30133       37.33734 
1 1 1 -16 1  16 o 282.698 15.486 17.171  1.8469 17.717  2.5542  16.572  2.6738 285.362 21.289 275.260 23.153 10.10239       31.45253 
1 1 1 -16 1  17 o 308.661 17.440 20.556  2.2704 20.911  2.6806  19.656  4.2705 310.222 20.520 293.730 35.021 16.49170       40.58988 
1 1 1 -16 1  18 o 218.212 17.112 10.311  1.5686 10.303  2.5333  10.316  1.9977 213.988 28.676 216.697 22.077 -2.709259      36.19003 
1 1 1 -16 1  19 o 278.357 14.268 16.657  1.6763 15.857  2.3666  17.463  2.3746 269.248 20.920 283.033 19.939 -13.78433      28.89956 
1 1 1 -16 1  20 o 369.933 13.904 29.356  2.1783 30.058  3.0515  28.627  3.1105 371.572 19.460 362.121 20.366 9.450897       28.16836 
1 1 1 -16 1  21 o 105.619 20.536 2.5094  0.8855 3.2481  1.4016  2.0188  1.1423 118.307 28.347 94.012  27.164 24.29485       39.26076 
1 1 1 -16 1  22 o 150.495 16.167 4.9398  1.0142 4.6725  1.6293  5.1088  1.2959 142.392 28.017 151.710 20.711 -9.318542      34.84130 
1 1 1 -16 2  1  o 399.829 17.064 34.218  2.8894 36.332  4.0592  32.048  4.1137 409.387 23.512 383.636 25.465 25.75018       34.65945 
1 1 1 -16 2  2  o 167.613 21.463 6.1437  1.4885 7.0554  2.1339  5.2795  2.0775 177.578 29.404 152.091 33.187 25.48732       44.33933 
1 1 1 -16 2  3  o 466.835 23.551 47.210  4.6411 54.163  6.5444  40.176  6.5827 495.914 31.323 423.523 37.075 72.39020       48.53491 
1 1 1 -16 2  4  o 110.589 33.670 2.7243  1.7184 4.6019  2.4423  0.8834  2.4183 141.196 39.366 93.847  38.360 47.34840       54.96493 
1 1 1 -16 2  5  f 460.789 33.684 47.055  6.5274 0.0000  0.0000  47.055  6.5274 ?       ?      460.789 33.684 0.000000       33.68351 
1 1 1 -16 2  6  f 259.720 17.482 14.507  1.9116 13.140  2.6306  16.037  2.7826 244.882 25.752 271.188 24.493 -26.30609      35.54015 
1 1 1 -16 2  7  o 218.632 18.214 10.314  1.6711 11.486  2.3420  9.0985  2.3851 229.148 24.514 202.427 28.620 26.72064       37.68358 
1 1 1 -16 2  8  o 232.924 17.841 11.691  1.7465 13.331  2.4594  10.023  2.4806 247.230 23.784 212.714 28.235 34.51544       36.91734 
1 1 1 -16 2  9  o 306.344 16.612 20.139  2.1471 24.158  3.0432  16.155  3.0298 334.127 21.623 271.328 26.714 62.79916       34.36840 
1 1 1 -16 2  10 f 285.002 19.287 17.527  2.3141 20.023  2.8318  12.510  4.0150 303.823 22.162 232.029 42.424 71.79446       47.86359 
1 1 1 -16 2  11 f 473.635 22.825 48.510  4.5783 0.0000  0.0000  48.510  4.5783 ?       ?      473.635 22.825 0.000000       22.82535 
1 1 1 -16 2  12 o 163.807 21.830 5.8915  1.4766 5.6658  1.8228  6.3226  2.5187 158.798 28.134 165.154 36.937 -6.355484      46.43151 
1 1 1 -16 2  13 o 384.195 15.563 31.587  2.5321 32.850  3.5191  30.232  3.6462 389.416 21.421 372.803 23.210 16.61230       31.58473 
1 1 1 -16 2  14 o 124.599 22.062 3.4532  1.1215 2.4713  1.6161  4.3654  1.5577 105.358 32.753 139.003 27.435 -33.64478      42.72520 
1 1 1 -16 2  15 o 410.928 15.197 36.145  2.6446 36.362  3.6911  35.916  3.7909 409.497 21.358 406.634 22.097 2.862885       30.73178 
1 1 1 -16 2  16 o 214.395 15.966 9.9075  1.4392 8.2481  1.9570  11.862  2.1240 193.136 24.476 233.034 21.774 -39.89809      32.75945 
1 1 1 -16 2  17 o 317.220 17.600 21.718  2.3551 22.571  2.7731  19.510  4.4605 322.373 20.418 291.446 36.971 30.92651       42.23455 
1 1 1 -16 2  18 o 291.062 21.623 18.512  2.6462 0.0000  0.0000  18.512  2.6462 ?       ?      291.062 21.623 0.000000       21.62255 
1 1 1 -16 2  19 o 216.662 19.277 10.246  1.7503 12.382  2.4983  8.1864  2.4529 235.890 25.410 188.604 31.845 47.28580       40.74007 
1 1 1 -16 2  20 o 186.505 16.831 7.5639  1.3150 5.8377  2.1314  8.6248  1.6710 157.843 32.950 198.161 20.194 -40.31851      38.64620 
1 1 1 -16 2  21 f 241.413 15.750 12.609  1.6014 13.821  2.5430  11.812  2.0616 249.219 24.408 231.612 21.255 17.60715       32.36550 
1 1 1 -16 2  22 o 116.719 18.674 3.0257  0.8919 4.3328  1.4519  2.2336  1.1303 137.772 25.834 98.495  26.512 39.27753       37.01789 
1 1 1 -16 3  1  o 244.590 18.720 12.906  1.9243 11.872  2.7246  13.935  2.7183 231.749 28.353 252.189 25.816 -20.43961      38.34501 
1 1 1 -16 3  2  o 198.563 20.092 8.5567  1.6663 7.2603  2.3518  9.8633  2.3611 179.312 32.152 211.404 26.989 -32.09099      41.97812 
1 1 1 -16 3  3  o 265.810 25.395 15.450  2.8239 12.046  3.9000  19.201  4.0943 228.183 41.903 293.355 33.560 -65.17177      53.68583 
1 1 1 -16 3  4  o 233.811 26.020 12.002  2.5327 10.335  3.5843  13.664  3.5792 211.120 41.569 246.210 35.341 -35.08955      54.56156 
1 1 1 -16 3  5  f 463.427 23.030 46.372  4.5198 44.827  6.3313  47.978  6.4545 449.747 33.481 465.683 32.941 -15.93649      46.96936 
1 1 1 -16 3  6  o 232.496 20.281 11.704  1.9768 13.324  2.4200  8.4555  3.4274 247.316 23.383 189.861 43.553 57.45535       49.43249 
1 1 1 -16 3  7  o 208.554 18.090 9.3898  1.5819 8.7785  2.1723  10.080  2.3080 199.445 26.365 214.046 25.995 -14.60133      37.02556 
1 1 1 -16 3  8  o 572.714 16.100 70.135  3.9048 73.299  5.4584  66.819  5.5883 582.981 22.109 555.845 23.740 27.13617       32.44048 
1 1 1 -16 3  9  o 243.699 17.030 12.776  1.7465 10.851  2.4166  14.881  2.5270 222.036 26.205 261.474 23.057 -39.43779      34.90456 
1 1 1 -16 3  10 o 246.875 20.373 13.202  2.1109 16.491  2.5996  6.8373  3.6168 275.458 22.481 169.397 48.145 106.0606       53.13507 
1 1 1 -16 3  11 f 428.201 22.998 39.774  4.1552 0.0000  0.0000  39.774  4.1552 ?       ?      428.201 22.998 0.000000       22.99832 
1 1 1 -16 3  12 o 227.318 19.927 11.207  1.8990 13.519  2.3415  6.7648  3.2461 249.070 22.439 168.633 44.723 80.43674       50.03652 
1 1 1 -16 3  13 o 360.391 15.695 27.801  2.3953 25.651  3.3262  30.117  3.4524 343.347 23.008 372.578 21.978 -29.23056      31.81860 
1 1 1 -16 3  14 o 164.741 19.114 5.9164  1.3088 5.8207  1.8463  6.0131  1.8555 160.818 28.134 163.631 27.769 -2.813324      39.53000 
1 1 1 -16 3  15 o 210.493 16.389 9.5562  1.4494 9.5106  1.9761  9.6094  2.1323 208.243 22.779 208.749 24.591 -0.5067596     33.52076 
1 1 1 -16 3  16 o 267.390 17.296 15.425  1.9480 14.236  3.0336  16.259  2.5412 252.684 28.867 272.961 22.175 -20.27748      36.40094 
1 1 1 -16 3  17 o 324.589 21.043 22.920  2.8770 21.402  3.6814  25.302  4.6111 310.275 28.329 334.858 32.942 -24.58292      43.44832 
1 1 1 -16 3  18 o 196.611 23.206 8.5449  1.8950 0.0000  0.0000  8.5449  1.8950 ?       ?      196.611 23.206 0.000000       23.20605 
1 1 1 -16 3  19 o 214.748 19.491 10.075  1.7533 9.9081  2.4701  10.245  2.4890 209.340 28.612 213.067 28.283 -3.726898      40.23140 
1 1 1 -16 3  20 o 444.572 15.660 42.550  2.9483 41.330  4.7229  43.329  3.7741 431.317 25.977 446.335 19.967 -15.01785      32.76420 
1 1 1 -16 3  21 o 342.940 15.202 25.314  2.2078 25.918  3.4265  24.885  2.8869 342.288 23.786 337.329 20.303 4.958923       31.27274 
1 1 1 -16 3  22 o 208.064 19.793 9.5062  1.7230 11.544  2.1127  5.4604  2.9772 228.487 22.111 148.120 44.145 80.36653       49.37283 
1 1 1 -16 4  1  o 287.690 17.891 17.803  2.1689 20.326  3.0328  15.162  3.1031 305.769 23.604 262.234 28.396 43.53503       36.92524 
1 1 1 -16 4  2  o 69.835  26.406 0.7825  1.0696 1.4106  1.5819  0.2535  1.4518 88.146  32.346 69.988  29.267 18.15815       43.62144 
1 1 1 -16 4  3  o 351.122 19.487 26.556  2.8863 24.341  3.4644  31.581  5.2187 334.410 24.637 377.285 32.994 -42.87497      41.17761 
1 1 1 -16 4  4  o 159.644 41.198 5.9496  2.8041 0.0000  0.0000  5.9496  2.8041 ?       ?      159.644 41.198 0.000000       41.19839 
1 1 1 -16 4  5  o 140.266 31.670 4.4824  1.8367 3.9330  2.4478  5.1903  2.7785 131.575 40.213 149.375 42.109 -17.80075      58.22579 
1 1 1 -16 4  6  o 270.582 17.370 15.741  1.9799 16.176  2.7203  15.250  2.8872 272.538 23.808 263.796 26.190 8.741119       35.39425 
1 1 1 -16 4  7  o 287.495 16.907 17.750  2.0494 16.710  2.8102  18.930  2.9950 276.883 24.210 294.829 24.201 -17.94629      34.23165 
1 1 1 -16 4  8  o 185.980 18.845 7.4962  1.4638 7.6333  2.0248  7.3462  2.1186 185.672 26.503 181.478 28.506 4.193680       38.92249 
1 1 1 -16 4  9  o 256.102 16.836 14.100  1.8158 12.053  2.4824  16.457  2.6631 234.372 25.418 275.025 23.078 -40.65265      34.33180 
1 1 1 -16 4  10 o 254.405 19.857 14.002  2.1224 12.683  2.5478  16.991  3.8365 240.415 25.409 275.348 33.597 -34.93327      42.12378 
1 1 1 -16 4  11 o 131.530 31.337 3.9565  1.7207 0.0000  0.0000  3.9565  1.7207 ?       ?      131.530 31.337 0.000000       31.33689 
1 1 1 -16 4  12 o 122.817 26.952 3.4141  1.3634 3.4791  1.7131  3.3017  2.2517 123.198 32.401 121.406 38.786 1.792282       50.53902 
1 1 1 -16 4  13 o 312.579 18.612 21.078  2.4526 18.976  4.0647  22.281  3.0755 290.499 33.663 319.938 22.849 -29.43854      40.68573 
1 1 1 -16 4  14 o 107.895 26.222 2.6404  1.1864 3.6323  1.8867  1.9915  1.5259 125.522 34.448 96.526  32.008 28.99598       47.02344 
1 1 1 -16 4  15 o 293.537 20.900 18.712  2.5811 22.952  3.5010  13.664  3.8203 323.221 25.792 243.313 38.345 79.90753       46.21198 
1 1 1 -16 4  16 o 294.931 20.471 18.889  2.5410 21.243  3.4467  16.086  3.7608 310.329 26.480 266.188 34.149 44.14157       43.21305 
1 1 1 -16 4  17 o 241.843 28.729 13.086  2.8848 13.086  2.8848  0.0000  0.0000 241.843 28.729 ?       ?      0.000000       28.72854 
1 1 1 -16 4  18 o 190.185 20.855 7.9397  1.6521 8.5870  2.2768  7.2199  2.4010 195.090 28.391 176.585 33.329 18.50548       43.78170 
1 1 1 -16 4  19 o 218.189 20.007 10.418  1.8281 10.543  2.5963  10.294  2.5745 215.731 29.166 213.065 29.308 2.665848       41.34744 
1 1 1 -16 4  20 o 242.256 18.522 12.788  1.8858 12.947  2.6169  12.616  2.7199 240.500 26.113 236.608 27.667 3.892365       38.04411 
1 1 1 -16 4  21 o 157.885 17.147 5.4484  1.1281 5.8522  1.8016  5.1880  1.4468 160.023 27.580 152.091 23.197 7.932053       36.03791 
1 1 1 -16 4  22 o 83.292  25.580 1.5509  0.9891 1.7398  1.2216  1.1915  1.6852 88.621  28.596 84.812  32.871 3.809608       43.56827 
1 1 1 -16 5  1  o 183.647 21.187 7.3543  1.6176 7.7351  2.1696  6.8777  2.4271 186.367 28.386 173.695 34.213 12.67288       44.45568 
1 1 1 -16 5  2  o 135.573 25.513 4.1093  1.4111 3.4246  1.8470  5.0693  2.1868 122.606 34.252 148.451 35.301 -25.84469      49.18689 
1 1 1 -16 5  3  o 277.423 20.546 16.643  2.3967 18.638  2.8703  12.049  4.3561 292.802 23.341 225.781 47.083 67.02136       52.55080 
1 1 1 -16 5  4  o 241.561 38.322 13.306  3.7895 0.0000  0.0000  13.306  3.7895 ?       ?      241.561 38.322 0.000000       38.32242 
1 1 1 -16 5  5  o 113.616 33.679 2.9029  1.7363 2.2540  2.2974  3.7672  2.6514 107.868 39.071 129.977 42.147 -22.10914      57.47134 
1 1 1 -16 5  6  o 401.050 16.319 34.403  2.7717 35.727  3.8510  32.980  3.9923 406.289 22.469 389.583 24.320 16.70682       33.11052 
1 1 1 -16 5  7  o 443.517 16.155 42.069  3.0344 38.921  4.1899  45.540  4.4003 423.685 23.443 459.274 22.624 -35.58887      32.57934 
1 1 1 -16 5  8  o 114.594 23.734 2.9412  1.1139 3.4211  1.5120  2.3716  1.6473 122.693 29.469 104.178 33.163 18.51476       44.36455 
1 1 1 -16 5  9  o 364.617 15.972 28.435  2.4662 27.879  3.3700  29.076  3.6189 358.689 22.296 365.884 23.479 -7.194855      32.37865 
1 1 1 -16 5  10 o 242.609 23.832 12.864  2.4170 9.2150  3.2200  17.574  3.6580 199.395 39.530 281.030 31.266 -81.63464      50.40018 
1 1 1 -16 5  11 o 99.595  32.913 2.1216  1.6139 0.0000  0.0000  2.1216  1.6139 ?       ?      99.595  32.913 0.000000       32.91302 
1 1 1 -16 5  12 o 212.850 20.880 9.8624  1.8579 13.074  3.0704  8.0070  2.3337 241.919 30.657 188.680 30.226 53.23947       43.05201 
1 1 1 -16 5  13 o 249.782 19.464 13.512  2.0427 14.522  3.3464  12.911  2.5789 254.523 31.735 242.206 25.526 12.31732       40.72734 
1 1 1 -16 5  14 o 166.584 20.819 6.0806  1.4366 5.8285  2.2205  6.2621  1.8841 158.999 34.006 167.079 27.592 -8.080551      43.79156 
1 1 1 -16 5  15 o 178.301 19.555 6.9324  1.4524 7.3881  2.1620  6.5577  1.9606 181.120 29.178 170.790 28.083 10.33089       40.49750 
1 1 1 -16 5  16 o 167.318 27.098 6.2858  1.8545 0.0000  0.0000  6.2858  1.8545 ?       ?      167.318 27.098 0.000000       27.09826 
1 1 1 -16 5  17 o 142.741 20.958 4.5034  1.2292 4.7421  1.8900  4.3285  1.6181 143.175 31.978 137.614 28.695 5.560760       42.96497 
1 1 1 -16 5  18 o 226.743 17.626 11.150  1.6792 12.739  2.6506  10.085  2.1703 239.003 26.641 213.232 24.478 25.77127       36.17891 
1 1 1 -16 5  19 o 378.051 21.152 31.227  3.3728 0.0000  0.0000  31.227  3.3728 ?       ?      378.051 21.152 0.000000       21.15179 
1 1 1 -16 5  20 o 164.852 21.866 6.0367  1.4889 7.1164  2.2680  5.2190  1.9738 175.126 31.750 149.267 32.172 25.85876       45.20033 
1 1 1 -16 5  21 o 203.014 18.096 8.9981  1.5395 8.0522  2.1514  9.9909  2.2040 188.146 27.841 211.184 25.138 -23.03828      37.51081 
1 1 1 -16 5  22 o 88.792  29.081 1.7349  1.2610 1.7349  1.2610  0.0000  0.0000 88.792  29.081 ?       ?      0.000000       29.08060 
1 1 1 -16 6  1  o 138.854 25.563 4.3081  1.4478 5.3927  1.9901  3.0888  2.1100 154.081 31.561 118.018 37.529 36.06329       49.03609 
1 1 1 -16 6  2  o 275.223 18.423 16.317  2.1348 16.064  2.9051  16.615  3.1477 270.935 25.623 274.948 27.398 -4.013092      37.51293 
1 1 1 -16 6  3  o 319.902 20.270 22.094  2.7318 23.374  3.2647  19.103  4.9892 327.954 23.666 288.353 42.098 39.60199       48.29361 
1 1 1 -16 6  4  o 200.643 39.486 9.2984  3.2357 0.0000  0.0000  9.2984  3.2357 ?       ?      200.643 39.486 0.000000       39.48643 
1 1 1 -16 6  5  o 208.196 26.545 9.5655  2.2872 9.5435  3.0843  9.5924  3.4094 204.272 37.016 203.238 41.026 1.034576       55.25687 
1 1 1 -16 6  6  o 234.451 20.876 11.924  2.0511 12.810  3.4045  11.419  2.5698 238.321 34.755 227.512 27.211 10.80907       44.14054 
1 1 1 -16 6  7  o 583.244 18.679 73.010  4.6136 76.660  7.6373  70.912  5.7893 590.272 30.658 572.371 23.884 17.90063       38.86322 
1 1 1 -16 6  8  o 134.549 25.964 4.0591  1.4258 3.7339  2.2936  4.2640  1.8203 128.126 38.875 136.573 32.028 -8.446793      50.36888 
1 1 1 -16 6  9  o 537.534 18.304 62.008  4.1667 59.100  6.7960  63.760  5.2744 517.452 31.158 543.016 22.936 -25.56445      38.68946 
1 1 1 -16 6  10 o 266.756 23.145 15.508  2.5887 13.895  3.4593  17.562  3.9027 248.445 33.752 279.817 33.606 -31.37207      47.62954 
1 1 1 -16 6  11 o 209.482 21.332 9.5636  1.8660 7.4907  3.1012  10.740  2.3363 178.338 41.792 220.856 25.445 -42.51762      48.92818 
1 1 1 -16 6  12 o 188.417 38.748 8.2580  2.9886 0.0000  0.0000  8.2580  2.9886 ?       ?      188.417 38.748 0.000000       38.74786 
1 1 1 -16 6  13 o 442.460 20.848 42.268  3.9065 42.445  5.2190  42.041  5.8912 439.084 28.216 434.465 32.249 4.618744       42.85055 
1 1 1 -16 6  14 o 228.423 18.684 11.299  1.7915 9.8559  2.7430  12.373  2.3659 208.730 32.056 237.500 23.844 -28.76987      39.95151 
1 1 1 -16 6  15 o 94.924  26.687 2.0306  1.1175 2.5898  1.8015  1.6808  1.4248 108.072 34.710 90.172  30.933 17.89940       46.49359 
1 1 1 -16 6  16 o 215.653 18.681 10.095  1.6892 11.662  2.6140  8.9706  2.2135 228.827 27.527 200.620 26.718 28.20644       38.36095 
1 1 1 -16 6  17 o 305.517 17.259 20.151  2.2239 19.308  3.4667  20.741  2.8991 294.412 28.148 307.983 22.381 -13.57065      35.96095 
1 1 1 -16 6  18 o 137.713 21.497 4.2173  1.2127 4.1919  2.0082  4.2318  1.5215 133.384 35.082 136.148 27.338 -2.764191      44.47625 
1 1 1 -16 6  19 o 102.379 27.915 2.4102  1.2436 0.0000  0.0000  2.4102  1.2436 ?       ?      102.379 27.915 0.000000       27.91529 
1 1 1 -16 6  20 o 161.731 19.355 5.7571  1.2993 6.6815  2.2392  5.2878  1.5953 169.223 32.427 152.800 25.557 16.42331       41.28706 
1 1 1 -16 6  21 o 251.836 24.589 14.131  2.5889 14.131  2.5889  0.0000  0.0000 251.836 24.589 ?       ?      0.000000       24.58860 
1 1 1 -16 6  22 o 428.222 18.577 39.817  3.3689 43.435  4.1007  32.306  5.9087 445.208 21.750 369.784 38.286 75.42444       44.03245 
1 1 1 -16 7  1  o 86.007  31.249 1.3720  1.4712 -1.8868 2.5517  2.9948  1.8006 74.209  34.345 115.283 34.325 -41.07428      48.55727 
1 1 1 -16 7  2  o 140.737 28.393 4.4682  1.6339 3.6482  2.6239  4.9875  2.0881 128.215 41.947 147.424 34.121 -19.20975      54.07157 
1 1 1 -16 7  3  o 476.220 23.703 49.065  4.7803 46.045  6.4997  52.624  7.0550 455.171 33.964 486.405 34.473 -31.23395      48.39336 
1 1 1 -16 7  4  o 95.334  39.816 0.6484  2.6821 0.0000  0.0000  0.6484  2.6821 ?       ?      95.334  39.816 0.000000       39.81572 
1 1 1 -16 7  5  o 328.005 23.996 23.409  3.3101 21.159  4.5198  26.011  4.8611 306.953 35.420 341.361 34.081 -34.40826      49.15403 
1 1 1 -16 7  6  o 87.118  31.653 1.4108  1.5095 0.5123  2.0233  2.5387  2.2669 83.663  34.731 111.201 38.967 -27.53828      52.19867 
1 1 1 -16 7  7  o 590.369 18.741 74.829  4.6855 73.913  7.6966  75.369  5.9060 578.759 31.521 590.104 23.633 -11.34570      39.39644 
1 1 1 -16 7  8  o 171.202 22.859 6.4408  1.6159 8.9591  2.6556  4.9600  2.0363 199.221 32.604 147.055 33.452 52.16594       46.71283 
1 1 1 -16 7  9  o 676.973 18.519 98.407  5.3093 94.809  8.5776  100.641 6.7598 656.442 30.855 681.792 23.412 -25.35028      38.73199 
1 1 1 -16 7  10 o 94.510  30.424 1.9299  1.3835 0.8094  1.8112  3.4992  2.1435 83.303  33.507 124.030 37.570 -40.72627      50.34102 
1 1 1 -16 7  11 o 313.970 19.056 21.274  2.5217 22.206  4.1073  20.711  3.1947 315.977 31.097 307.799 24.717 8.177765       39.72379 
1 1 1 -16 7  12 o 103.018 32.999 2.3269  1.6291 0.0000  0.0000  2.3269  1.6291 ?       ?      103.018 32.999 0.000000       32.99947 
1 1 1 -16 7  13 o 360.043 21.027 28.092  3.1921 23.300  4.1829  34.775  4.9394 323.454 30.913 396.399 29.638 -72.94534      42.82609 
1 1 1 -16 7  14 o 129.147 23.963 3.7347  1.2624 1.8563  1.9127  5.1843  1.6803 98.040  35.629 151.783 27.137 -53.74222      44.78641 
1 1 1 -16 7  15 o 84.878  26.623 1.5719  1.0651 2.6106  1.6664  0.8545  1.3849 107.745 33.221 76.374  29.743 31.37076       44.58964 
1 1 1 -16 7  16 o 259.386 17.944 14.552  1.9590 16.292  3.0479  13.327  2.5571 271.120 26.901 245.780 24.911 25.34071       36.66404 
1 1 1 -16 7  17 o 229.055 18.393 11.391  1.7691 13.107  2.7330  10.153  2.3209 242.498 27.074 213.443 26.229 29.05554       37.69572 
1 1 1 -16 7  18 o 417.540 17.087 37.583  3.0213 47.170  4.7266  30.959  3.9288 463.107 24.184 374.513 24.914 88.59396       34.72116 
1 1 1 -16 7  19 o 350.680 16.916 26.537  2.5121 29.798  4.0178  24.444  3.2189 366.112 26.084 333.250 22.948 32.86176       34.74207 
1 1 1 -16 7  20 o 129.937 25.984 3.8615  1.3799 0.0000  0.0000  3.8615  1.3799 ?       ?      129.937 25.984 0.000000       25.98409 
1 1 1 -16 7  21 o 224.888 24.051 11.269  2.2551 11.269  2.2551  0.0000  0.0000 224.888 24.051 ?       ?      0.000000       24.05146 
1 1 1 -16 8  1  o 325.154 20.697 22.856  2.8352 17.557  4.5381  26.248  3.6311 277.053 39.823 347.003 24.874 -69.94952      46.95287 
1 1 1 -16 8  2  o 183.496 25.127 7.4309  1.9013 7.5704  3.1579  7.3516  2.3813 179.606 42.229 180.216 32.392 -0.6098938     53.22146 
1 1 1 -16 8  3  o 320.632 24.805 22.417  3.3419 16.933  4.3597  30.232  5.2039 272.575 38.869 368.375 33.732 -95.80023      51.46497 
1 1 1 -16 8  4  o 292.544 19.784 18.481  2.4367 17.496  4.0667  19.032  3.0435 278.853 35.222 295.371 24.554 -16.51712      42.93587 
1 1 1 -16 8  5  o 128.180 32.475 3.7599  1.7650 0.0000  0.0000  3.7599  1.7650 ?       ?      128.180 32.475 0.000000       32.47544 
1 1 1 -16 8  6  o 196.737 25.448 8.5351  2.0705 8.0847  2.8329  9.0518  3.0338 187.497 36.991 198.475 37.467 -10.97769      52.65084 
1 1 1 -16 8  7  o 311.629 19.160 20.943  2.5164 24.190  4.1961  19.120  3.1446 330.685 30.300 295.672 25.359 35.01276       39.51178 
1 1 1 -16 8  8  o 600.681 18.383 77.461  4.6764 75.185  7.5539  78.875  5.9547 584.019 30.649 603.646 23.293 -19.62671      38.49620 
1 1 1 -16 8  9  o 279.273 19.001 16.838  2.2339 16.783  3.5352  16.874  2.8823 274.569 30.943 277.741 24.764 -3.171692      39.63266 
1 1 1 -16 8  10 o 287.189 22.635 17.949  2.7306 15.719  3.6214  20.888  4.1573 264.613 33.036 305.719 32.614 -41.10562      46.42221 
1 1 1 -16 8  11 o 176.602 21.343 6.8269  1.5639 8.1285  2.3192  5.7416  2.1178 190.270 29.757 158.398 32.657 31.87230       44.18042 
1 1 1 -16 8  12 o 344.487 24.000 25.893  3.4794 0.0000  0.0000  25.893  3.4794 ?       ?      344.487 24.000 0.000000       23.99999 
1 1 1 -16 8  13 o 254.372 18.677 13.994  1.9979 11.647  2.9612  15.954  2.7067 227.462 31.594 269.959 23.923 -42.49779      39.62976 
1 1 1 -16 8  14 o 116.077 29.499 3.0831  1.4531 3.7185  1.8709  2.1170  2.3071 126.806 34.099 105.447 39.000 21.35878       51.80450 
1 1 1 -16 8  15 o 334.075 17.528 24.060  2.4712 19.932  3.7572  27.207  3.2806 298.766 30.106 353.534 22.021 -54.76770      37.30000 
1 1 1 -16 8  16 o 380.026 17.245 31.067  2.7754 28.679  4.2897  32.787  3.6399 359.355 28.420 387.800 22.256 -28.44492      36.09752 
1 1 1 -16 8  17 o 215.002 18.620 10.055  1.6787 12.395  2.6246  8.4354  2.1837 235.766 26.761 193.766 27.374 42.00024       38.28151 
1 1 1 -16 8  18 o 153.523 20.754 5.2105  1.3147 4.2284  2.1228  5.8217  1.6745 133.499 36.500 160.844 25.429 -27.34514      44.48478 
1 1 1 -16 8  19 o 130.568 23.731 3.8507  1.2639 5.8229  2.2615  2.9550  1.5241 156.803 34.949 112.640 30.982 44.16324       46.70442 
1 1 1 -16 8  20 o 259.393 16.469 14.577  1.7997 17.072  2.6902  12.556  2.4214 277.878 23.069 237.424 24.431 40.45390       33.60112 
1 1 1 -16 8  21 o 56.543  22.284 0.4246  0.7852 0.0000  0.0000  0.4246  0.7852 ?       ?      56.543  22.284 0.000000       22.28361 
1 1 1 -16 9  1  o 214.981 23.129 10.106  2.0726 10.304  3.5365  10.003  2.5579 210.421 41.160 211.894 29.288 -1.472900      50.51684 
1 1 1 -16 9  2  o 203.280 23.902 9.0637  2.0184 9.6465  3.3612  8.7351  2.5241 203.868 40.360 197.144 31.277 6.723679       51.06054 
1 1 1 -16 9  3  o 298.517 25.769 19.500  3.2258 16.639  4.4591  22.641  4.6721 269.338 40.335 317.516 35.346 -48.17807      53.63065 
1 1 1 -16 9  4  o 439.510 19.130 41.501  3.5606 34.888  5.7865  45.530  4.5169 395.067 34.947 458.179 23.356 -63.11209      42.03328 
1 1 1 -16 9  5  o 282.609 24.462 17.438  2.8988 0.0000  0.0000  17.438  2.8988 ?       ?      282.609 24.462 0.000000       24.46208 
1 1 1 -16 9  6  o 294.790 23.399 18.919  2.8972 16.439  3.9274  21.880  4.2911 270.013 35.182 313.186 32.842 -43.17346      48.12914 
1 1 1 -16 9  7  o 275.250 19.253 16.362  2.2301 14.752  3.6248  17.343  2.8288 255.891 34.314 281.957 23.916 -26.06639      41.82601 
1 1 1 -16 9  8  o 164.139 22.065 5.9178  1.4949 1.5564  2.4070  8.6564  1.9074 100.468 39.188 198.748 23.092 -98.27946      45.48516 
1 1 1 -16 9  9  o 196.550 20.826 8.4184  1.7071 8.2478  2.6530  8.5389  2.2301 190.191 34.195 195.926 27.646 -5.734192      43.97247 
1 1 1 -16 9  10 o 244.924 23.986 13.133  2.4560 10.544  3.1348  17.249  3.9521 214.889 35.700 276.569 34.493 -61.68005      49.64114 
1 1 1 -16 9  11 o 279.586 18.807 16.884  2.2138 14.728  3.3935  18.481  2.9210 256.281 31.962 290.848 23.927 -34.56665      39.92569 
1 1 1 -16 9  12 o 359.319 18.121 27.815  2.7485 30.141  4.2129  26.092  3.6266 370.263 27.055 345.327 24.967 24.93616       36.81444 
1 1 1 -16 9  13 o 310.870 23.907 21.127  3.1233 0.0000  0.0000  21.127  3.1233 ?       ?      310.870 23.907 0.000000       23.90712 
1 1 1 -16 9  14 o 246.340 22.043 13.252  2.2753 13.471  2.9936  12.951  3.5014 245.584 29.366 237.786 35.887 7.798065       46.37062 
1 1 1 -16 9  15 o 181.566 21.349 7.2345  1.6102 9.0782  2.5470  6.0070  2.0782 200.151 31.055 161.944 31.436 38.20737       44.18851 
1 1 1 -16 9  16 o 219.189 18.835 10.443  1.7314 10.135  2.6592  10.670  2.2810 211.567 30.567 219.473 24.987 -7.906540      39.48011 
1 1 1 -16 9  17 o 162.381 26.050 5.9354  1.7308 5.2280  2.2640  6.9304  2.6849 148.643 36.284 170.788 38.091 -22.14536      52.60651 
1 1 1 -16 9  18 o 142.635 21.701 4.5297  1.2695 4.4597  2.0324  4.5745  1.6256 137.268 34.888 141.204 28.173 -3.935974      44.84315 
1 1 1 -16 9  19 o 168.276 20.717 6.2572  1.4452 5.4095  2.3823  6.7509  1.8179 149.924 37.591 173.088 25.571 -23.16405      45.46365 
1 1 1 -16 9  20 o 301.969 16.329 19.733  2.0804 20.078  3.0432  19.431  2.8504 300.853 24.087 296.601 22.869 4.252747       33.21460 
1 1 1 -16 9  21 o 185.891 24.416 7.7504  1.8756 0.0000  0.0000  7.7504  1.8756 ?       ?      185.891 24.416 0.000000       24.41603 
1 1 1 -16 10 1  o 194.413 25.047 8.3369  2.0142 12.915  3.4063  5.8752  2.4977 238.933 34.677 158.954 37.678 79.97884       51.20683 
1 1 1 -16 10 2  o 225.965 23.074 11.154  2.1770 9.1719  3.6125  12.285  2.7281 196.923 44.381 235.661 27.875 -38.73796      52.40880 
1 1 1 -16 10 3  o 179.149 31.803 7.2597  2.3245 7.3767  3.2343  7.1347  3.3429 176.686 43.513 173.334 45.107 3.351532       62.67356 
1 1 1 -16 10 4  o 224.289 21.573 10.948  2.0238 8.1345  3.2676  12.698  2.5778 186.014 42.421 240.415 25.718 -54.40100      49.60770 
1 1 1 -16 10 5  o 409.026 23.950 36.371  4.1305 0.0000  0.0000  36.371  4.1305 ?       ?      409.026 23.950 0.000000       23.94990 
1 1 1 -16 10 6  o 273.074 35.304 16.828  3.9871 0.0000  0.0000  16.828  3.9871 ?       ?      273.074 35.304 0.000000       35.30373 
1 1 1 -16 10 7  o 530.142 18.367 60.350  4.1235 54.534  6.5852  64.101  5.2887 496.435 31.486 544.253 22.946 -47.81784      38.96010 
1 1 1 -16 10 8  o 145.001 25.026 4.6896  1.4812 2.8768  2.3265  5.9255  1.9209 115.926 39.530 162.202 29.030 -46.27528      49.04433 
1 1 1 -16 10 9  o 480.395 18.305 49.574  3.7240 39.586  5.8058  56.555  4.8541 421.612 32.774 511.289 22.418 -89.67633      39.70782 
1 1 1 -16 10 10 o 210.381 26.473 9.7974  2.3064 11.144  3.0469  7.9912  3.5294 221.893 33.465 182.653 45.731 39.24014       56.66766 
1 1 1 -16 10 11 o 341.574 18.358 25.150  2.6458 24.052  4.0227  25.987  3.5124 329.642 29.115 345.011 24.193 -15.36932      37.85506 
1 1 1 -16 10 12 o 244.980 18.870 12.991  1.9426 11.758  2.9577  13.925  2.5762 228.652 31.372 251.882 24.459 -23.23006      39.78003 
1 1 1 -16 10 13 o 221.535 25.958 10.859  2.3892 0.0000  0.0000  10.859  2.3892 ?       ?      221.535 25.958 0.000000       25.95846 
1 1 1 -16 10 14 o 217.023 19.830 10.248  1.8024 10.878  2.8291  9.8182  2.3383 219.458 31.330 210.039 26.906 9.418396       41.29792 
1 1 1 -16 10 15 o 114.294 29.070 2.9971  1.4104 2.7202  1.8752  3.3578  2.1400 110.244 35.414 121.009 37.702 -10.76442      51.72625 
1 1 1 -16 10 16 o 144.461 23.714 4.6671  1.4004 3.8170  2.1101  5.3364  1.8722 127.629 36.932 152.550 30.049 -24.92068      47.61199 
1 1 1 -16 10 17 o 158.271 27.814 5.6965  1.7962 5.4544  2.2272  6.1470  3.0380 152.042 35.273 158.440 43.809 -6.398102      56.24426 
1 1 1 -16 10 18 o 194.909 19.994 8.3361  1.6270 5.9685  2.6459  9.7758  2.0632 156.973 39.758 209.842 23.628 -52.86998      46.24947 
1 1 1 -16 10 19 o 128.869 24.377 3.7695  1.2816 3.9313  2.1391  3.6789  1.6008 128.289 37.203 125.449 30.441 2.839630       48.06954 
1 1 1 -16 10 20 o 258.818 16.691 14.528  1.8197 14.597  2.6150  14.464  2.5340 256.044 24.412 255.214 23.716 0.8306580      34.03524 
1 1 1 -16 10 21 o 195.576 17.625 8.3484  1.4441 9.7122  2.1096  7.1458  1.9810 208.390 24.364 177.154 27.280 31.23624       36.57611 
1 1 1 -16 11 1  o 432.209 19.594 40.212  3.5864 35.646  5.9179  42.863  4.5087 398.285 35.456 443.780 24.081 -45.49472      42.86081 
1 1 1 -16 11 2  o 128.411 31.326 3.7738  1.6884 2.3404  2.9538  4.4694  2.0577 114.845 43.771 139.113 34.967 -24.26846      56.02325 
1 1 1 -16 11 3  o 196.235 28.566 8.5868  2.3043 9.5234  3.1470  7.5043  3.3832 203.294 37.949 177.632 44.940 25.66197       58.81960 
1 1 1 -16 11 4  o 388.527 19.293 32.458  3.1744 34.785  5.2467  31.114  3.9868 396.115 31.538 377.663 25.070 18.45117       40.28830 
1 1 1 -16 11 5  o 272.461 26.961 16.338  3.0701 0.0000  0.0000  16.338  3.0701 ?       ?      272.461 26.961 0.000000       26.96146 
1 1 1 -16 11 6  o 247.226 38.593 14.012  3.9086 0.0000  0.0000  14.012  3.9086 ?       ?      247.226 38.593 0.000000       38.59302 
1 1 1 -16 11 7  o 281.941 23.357 17.331  2.7637 14.550  3.6693  20.978  4.2014 253.555 35.114 306.266 32.909 -52.71069      48.12501 
1 1 1 -16 11 8  o 106.126 27.892 2.5536  1.2700 3.3207  2.0824  2.0993  1.6025 121.046 37.106 99.073  32.799 21.97279       49.52429 
1 1 1 -16 11 9  o 410.302 18.541 36.186  3.2217 34.046  5.0991  37.608  4.1565 391.724 30.991 415.700 23.708 -23.97629      39.01930 
1 1 1 -16 11 10 o 330.888 22.735 23.826  3.1664 24.385  4.1634  23.058  4.8767 331.532 29.978 318.702 36.809 12.83002       47.47239 
1 1 1 -16 11 11 o 225.748 19.517 11.058  1.8475 11.388  2.7468  10.785  2.4966 225.779 29.427 220.416 27.333 5.362396       40.16257 
1 1 1 -16 11 12 o 341.220 18.316 25.114  2.6370 24.243  4.0753  25.742  3.4588 330.501 29.425 343.267 23.943 -12.76605      37.93497 
1 1 1 -16 11 13 o 136.231 25.504 4.1750  1.4173 2.1873  2.1023  5.8312  1.9190 104.321 37.429 160.364 29.338 -56.04263      47.55693 
1 1 1 -16 11 14 o 103.770 33.063 2.3912  1.6371 0.0000  0.0000  2.3912  1.6371 ?       ?      103.770 33.063 0.000000       33.06297 
1 1 1 -16 11 15 o 399.993 20.771 34.763  3.5064 31.757  4.5582  39.122  5.4879 377.910 28.695 417.849 31.239 -39.93869      42.41811 
1 1 1 -16 11 16 o 191.921 21.089 8.0915  1.6858 7.8568  2.6567  8.2497  2.1812 183.387 35.492 191.395 27.717 -8.008575      45.03217 
1 1 1 -16 11 17 o 91.002  31.880 1.7137  1.5172 2.6582  1.8896  -0.0000 2.5453 108.654 35.599 86.044  37.423 22.61047       51.65009 
1 1 1 -16 11 18 o 164.460 22.296 6.0161  1.5129 5.9934  2.4973  6.0293  1.9015 157.899 37.840 162.217 28.731 -4.317596      47.51160 
1 1 1 -16 11 19 o 498.391 16.540 53.623  3.4911 57.708  5.1683  50.195  4.7344 511.767 23.847 477.633 23.406 34.13388       33.41426 
1 1 1 -16 11 20 o 250.290 16.317 13.579  1.7200 13.223  2.5076  13.895  2.3637 243.422 24.666 250.632 22.510 -7.210037      33.39313 
1 1 1 -16 11 21 o 149.617 19.357 4.9462  1.1977 6.7649  1.8220  3.5622  1.5894 172.941 25.655 123.154 30.608 49.78713       39.93788 
1 1 1 -16 12 1  o 482.682 19.560 50.184  3.9984 42.759  6.6013  54.487  5.0250 435.505 36.118 500.971 23.685 -65.46558      43.19175 
1 1 1 -16 12 2  o 247.954 21.659 13.379  2.2515 12.710  3.6585  13.787  2.8565 235.276 38.014 249.740 27.462 -14.46321      46.89594 
1 1 1 -16 12 3  o 249.184 26.799 13.693  2.7836 17.423  3.7765  9.2552  4.1189 278.941 32.583 195.388 49.670 83.55318       59.40351 
1 1 1 -16 12 4  o 91.861  33.575 1.5733  1.7021 -1.0487 2.3751  4.3416  2.4404 76.307  34.477 136.877 39.749 -60.56933      52.61798 
1 1 1 -16 12 5  o 154.639 24.672 5.3130  1.5614 3.5137  2.3353  6.7677  2.0998 124.790 39.460 173.383 29.663 -48.59274      49.36644 
1 1 1 -16 12 6  o 322.355 35.758 23.444  4.7992 0.0000  0.0000  23.444  4.7992 ?       ?      322.355 35.758 0.000000       35.75806 
1 1 1 -16 12 7  o 254.204 24.342 14.153  2.5885 16.860  3.4740  10.774  3.8811 275.275 30.302 213.351 44.400 61.92424       53.75441 
1 1 1 -16 12 8  o 276.699 19.519 16.562  2.2726 12.239  3.6192  19.376  2.9201 230.520 38.426 298.096 23.317 -67.57593      44.94717 
1 1 1 -16 12 9  o 190.003 23.248 7.9371  1.8316 8.1242  2.7939  7.7960  2.4255 187.600 36.480 185.343 32.062 2.257050       48.56762 
1 1 1 -16 12 10 o 232.285 21.103 11.748  2.0533 13.400  3.1714  10.556  2.6941 244.380 31.368 216.994 30.131 27.38530       43.49480 
1 1 1 -16 12 11 o 126.859 26.869 3.6468  1.3986 6.3061  2.1928  1.8230  1.8159 166.019 32.351 96.543  34.771 69.47641       47.49328 
1 1 1 -16 12 12 o 141.426 25.251 4.4857  1.4568 6.2010  2.1103  2.9238  2.0137 164.821 31.380 114.325 36.695 50.49564       48.28239 
1 1 1 -16 12 13 o 200.947 24.578 8.9291  2.0479 6.7738  2.6288  12.257  3.2663 169.990 37.522 231.733 34.321 -61.74289      50.85071 
1 1 1 -16 12 14 o 196.492 29.263 8.7058  2.3608 0.0000  0.0000  8.7058  2.3608 ?       ?      196.492 29.263 0.000000       29.26344 
1 1 1 -16 12 15 o 465.944 23.436 47.517  4.6098 0.0000  0.0000  47.517  4.6098 ?       ?      465.944 23.436 0.000000       23.43633 
1 1 1 -16 12 16 o 381.140 20.745 31.657  3.3359 32.915  4.3499  29.862  5.1979 385.033 26.845 361.384 34.378 23.64938       43.61755 
1 1 1 -16 12 17 o 189.999 26.231 8.1163  2.0544 8.4886  2.6703  7.5763  3.2157 190.679 34.331 175.419 43.500 15.25996       55.41597 
1 1 1 -16 12 18 o 379.179 17.317 31.080  2.7807 33.971  4.3241  29.042  3.6311 390.479 26.302 362.584 23.780 27.89462       35.45785 
1 1 1 -16 12 19 o 101.311 22.628 2.3366  0.9463 1.3983  1.3735  3.1845  1.3057 83.906  30.238 117.448 26.838 -33.54243      40.42998 
1 1 1 -16 12 20 o 228.168 17.060 11.321  1.6365 12.848  2.3853  9.9626  2.2495 240.311 23.749 210.437 25.781 29.87424       35.05272 
1 1 1 -16 13 1  o 458.987 19.585 45.413  3.8069 42.537  6.2513  47.108  4.7995 435.283 34.187 464.579 24.481 -29.29599      42.04826 
1 1 1 -16 13 2  o 121.375 30.490 3.3735  1.5652 3.1388  2.4281  3.5403  2.0472 119.796 40.386 124.180 36.505 -4.383728      54.43983 
1 1 1 -16 13 3  o 415.899 23.783 37.659  4.1715 41.221  5.6294  33.320  6.2126 431.110 31.042 382.467 38.897 48.64261       49.76525 
1 1 1 -16 13 4  o 130.944 34.921 3.9589  1.9720 3.9030  2.7693  4.0164  2.8089 131.557 43.095 133.150 43.392 -1.592987      61.15633 
1 1 1 -16 13 5  o 472.214 18.549 47.930  3.7093 37.730  5.8662  54.725  4.7880 410.603 34.043 502.824 22.485 -92.22177      40.79833 
1 1 1 -16 13 6  o 223.383 28.608 11.104  2.6442 0.0000  0.0000  11.104  2.6442 ?       ?      223.383 28.608 0.000000       28.60824 
1 1 1 -16 13 7  o 120.446 33.475 3.3254  1.7689 1.3685  2.3161  6.0651  2.7404 97.016  38.260 160.515 40.357 -63.49943      55.61053 
1 1 1 -16 13 8  o 288.963 24.189 18.264  2.9329 16.360  3.8112  21.030  4.5927 269.127 34.212 304.418 36.343 -35.29053      49.91320 
1 1 1 -16 13 9  o 149.500 26.740 5.0214  1.6308 3.5224  2.4374  6.2366  2.1944 124.978 40.398 165.095 32.543 -40.11732      51.87555 
1 1 1 -16 13 10 o 237.980 20.464 12.313  2.0423 11.721  3.0995  12.768  2.7150 227.449 33.153 240.039 27.188 -12.58981      42.87556 
1 1 1 -16 13 11 o 498.301 21.275 53.732  4.4897 53.854  5.8689  53.560  6.9711 494.185 28.159 488.514 33.906 5.670868       44.07468 
1 1 1 -16 13 12 o 132.808 27.474 4.0063  1.4943 4.3179  2.0714  3.6682  2.1576 136.050 35.556 125.941 37.592 10.10941       51.74366 
1 1 1 -16 13 13 o 364.181 18.024 28.562  2.7798 20.993  4.1975  34.476  3.7101 304.778 33.051 397.868 22.106 -93.09000      39.76213 
1 1 1 -16 13 14 o 111.465 27.361 2.8441  1.2820 2.4645  1.8410  3.2014  1.7862 105.888 35.160 117.663 33.960 -11.77512      48.88212 
1 1 1 -16 13 15 o 399.355 23.537 34.989  3.9630 0.0000  0.0000  34.989  3.9630 ?       ?      399.355 23.537 0.000000       23.53651 
1 1 1 -16 13 16 o 261.344 22.299 15.016  2.4444 14.639  3.2166  15.532  3.7605 254.043 30.509 259.047 35.189 -5.004227      46.57320 
1 1 1 -16 13 17 o 194.867 36.072 8.9569  2.8672 8.9569  2.8672  0.0000  0.0000 194.867 36.072 ?       ?      0.000000       36.07204 
1 1 1 -16 13 18 o 122.460 25.483 3.4318  1.2786 4.9344  2.2329  2.6988  1.5595 143.315 36.647 107.833 31.908 35.48183       48.59140 
1 1 1 -16 13 19 o 119.706 21.779 3.2276  1.0634 3.5999  1.5330  2.8823  1.4763 124.148 29.579 111.060 30.470 13.08814       42.46570 
1 1 1 -16 13 20 o 198.403 17.720 8.5942  1.4732 9.2193  2.1561  8.0468  2.0176 202.307 25.750 188.749 25.926 13.55804       36.54085 
1 1 1 -16 14 1  o 330.548 20.686 23.709  2.8811 22.343  4.7349  24.513  3.6306 313.100 36.388 333.877 25.879 -20.77673      44.65252 
1 1 1 -16 14 2  o 141.614 28.378 4.5508  1.6426 2.5206  2.6415  5.8309  2.0974 113.402 41.770 159.520 32.158 -46.11745      52.71474 
1 1 1 -16 14 3  o 292.148 25.448 18.743  3.1170 19.119  4.2274  18.294  4.6142 290.578 35.061 281.617 39.798 8.960999       53.03980 
1 1 1 -16 14 4  o 389.596 23.344 33.048  3.8338 35.500  5.1217  29.924  5.7816 400.053 30.460 362.405 38.249 37.64786       48.89595 
1 1 1 -16 14 5  o 228.353 22.176 11.387  2.1175 12.241  3.5000  10.893  2.6593 230.996 37.029 220.915 29.136 10.08150       47.11805 
1 1 1 -16 14 6  o 267.603 26.432 15.782  2.9563 0.0000  0.0000  15.782  2.9563 ?       ?      267.603 26.432 0.000000       26.43211 
1 1 1 -16 14 7  o 205.958 29.245 9.4959  2.4791 0.0000  0.0000  9.4959  2.4791 ?       ?      205.958 29.245 0.000000       29.24462 
1 1 1 -16 14 8  o 126.223 34.365 3.6782  1.8864 3.4737  2.4297  3.9884  2.9929 124.224 40.351 133.199 44.838 -8.974915      60.32157 
1 1 1 -16 14 9  o 180.542 29.646 7.3526  2.1879 7.5890  2.7238  6.9226  3.6733 180.763 36.832 168.880 48.687 11.88232       61.04930 
1 1 1 -16 14 10 o 364.452 18.532 28.666  2.8508 29.544  4.3903  28.025  3.7486 365.333 28.605 357.650 24.905 7.683289       37.92793 
1 1 1 -16 14 11 o 226.091 24.104 11.253  2.2723 11.874  2.9294  10.316  3.6005 229.602 30.912 208.582 42.209 21.01976       52.31813 
1 1 1 -16 14 12 o 363.264 18.519 28.512  2.8394 29.486  4.2988  27.758  3.7818 364.811 28.040 355.369 25.294 9.441650       37.76272 
1 1 1 -16 14 13 o 213.098 21.365 9.9466  1.9021 11.670  2.7864  8.4424  2.6029 227.739 29.590 191.657 33.277 36.08144       44.52983 
1 1 1 -16 14 14 o 121.048 26.268 3.3414  1.3079 0.8241  1.9101  5.5637  1.7946 84.276  34.229 156.453 28.120 -72.17699      44.29827 
1 1 1 -16 14 15 o 303.653 17.839 19.975  2.2839 15.359  3.4648  23.521  3.0370 259.484 32.224 327.717 22.011 -68.23233      39.02356 
1 1 1 -16 14 16 o 400.374 33.351 36.626  5.6034 0.0000  0.0000  36.626  5.6034 ?       ?      400.374 33.351 0.000000       33.35138 
1 1 1 -16 14 17 o 271.118 22.648 16.220  2.5765 20.404  3.4032  10.601  3.9438 301.878 26.902 205.726 46.376 96.15211       53.61388 
1 1 1 -16 14 18 o 161.311 20.030 5.7485  1.3389 6.7582  2.0083  4.9407  1.7963 171.718 28.624 145.730 30.103 25.98764       41.53931 
1 1 1 -16 14 19 o 97.815  24.738 2.1974  1.0254 2.8114  1.4853  1.6383  1.4174 109.688 30.741 88.326  30.821 21.36177       43.53129 
1 1 1 -16 14 20 o 76.081  25.011 1.2462  0.9324 0.7092  1.4468  1.6277  1.2195 74.527  29.957 86.365  28.613 -11.83763      41.42593 
1 1 1 -16 15 1  o 257.305 22.022 14.464  2.3766 12.130  3.9641  15.773  2.9694 226.013 42.987 266.947 26.621 -40.93411      50.56266 
1 1 1 -16 15 2  o 216.932 23.016 10.333  2.0821 5.2864  3.3736  13.439  2.6463 149.222 47.454 246.675 25.710 -97.45323      53.97128 
1 1 1 -16 15 3  o 186.110 25.222 7.6850  1.9367 7.7798  3.1784  7.6291  2.4425 180.745 42.278 182.714 32.770 -1.968246      53.49070 
1 1 1 -16 15 4  o 320.125 24.110 22.419  3.2446 22.281  4.3184  22.597  4.9166 314.900 32.867 314.381 37.680 0.5186157      49.99981 
1 1 1 -16 15 5  o 145.214 26.908 4.7512  1.5938 5.1808  2.5543  4.4773  2.0396 148.300 39.828 138.867 34.762 9.432587       52.86454 
1 1 1 -16 15 6  o 344.934 24.639 26.038  3.5755 0.0000  0.0000  26.038  3.5755 ?       ?      344.934 24.639 0.000000       24.63893 
1 1 1 -16 15 7  o 399.514 23.983 34.840  4.0389 0.0000  0.0000  34.840  4.0389 ?       ?      399.514 23.983 0.000000       23.98297 
1 1 1 -16 15 8  o 424.813 22.127 39.217  3.9670 36.695  5.1653  42.844  6.1941 406.416 30.227 436.837 33.744 -30.42062      45.30289 
1 1 1 -16 15 9  o 409.689 22.087 36.495  3.8179 38.957  4.9388  32.838  6.0186 420.093 27.920 379.016 38.009 41.07639       47.16149 
1 1 1 -16 15 10 o 304.043 19.155 20.012  2.4537 21.693  3.7617  18.767  3.2373 312.444 28.752 291.489 26.515 20.95496       39.11151 
1 1 1 -16 15 11 o 163.229 28.153 6.0213  1.8758 4.3538  2.4356  8.4523  2.9408 136.058 39.767 190.000 37.878 -53.94241      54.91940 
1 1 1 -16 15 12 o 380.563 18.034 31.213  2.9064 31.913  4.4403  30.688  3.8443 379.368 27.832 373.922 24.411 5.445923       37.02049 
1 1 1 -16 15 13 o 243.626 19.034 12.903  1.9482 14.052  2.9987  12.064  2.5627 250.279 28.819 232.721 26.473 17.55731       39.13256 
1 1 1 -16 15 14 o 145.836 25.458 4.8011  1.5151 5.8177  2.4701  4.1879  1.9184 156.236 37.753 133.534 33.872 22.70270       50.72038 
1 1 1 -16 15 15 o 276.159 18.675 16.583  2.1712 19.774  3.3485  14.268  2.8520 297.687 26.850 252.408 27.105 45.27907       38.15276 
1 1 1 -16 15 16 f 261.676 24.643 15.216  2.6987 0.0000  0.0000  15.216  2.6987 ?       ?      261.676 24.643 0.000000       24.64293 
1 1 1 -16 15 17 o 166.611 30.573 6.4286  2.0777 0.0000  0.0000  6.4286  2.0777 ?       ?      166.611 30.573 0.000000       30.57301 
1 1 1 -16 15 18 o 78.474  29.588 1.0929  1.3406 1.0929  1.3406  0.0000  0.0000 78.474  29.588 ?       ?      0.000000       29.58801 
1 1 1 -16 15 19 f 247.011 17.134 13.265  1.7812 11.260  2.5018  15.326  2.5365 223.177 27.021 262.941 23.011 -39.76421      35.49169 
1 1 1 -16 16 1  o 174.496 31.942 6.9771  2.2734 6.6024  3.2389  7.3411  3.1919 164.917 45.084 174.441 43.387 -9.523819      62.57022 
1 1 1 -16 16 2  o 261.905 21.143 14.953  2.3251 12.479  3.8138  16.417  2.9332 230.459 40.558 272.690 25.703 -42.23067      48.01691 
1 1 1 -16 16 3  o 258.916 21.538 14.626  2.3402 13.413  3.8999  15.308  2.9254 239.671 39.821 262.924 26.641 -23.25319      47.91060 
1 1 1 -16 16 4  o 228.634 27.039 11.617  2.5673 7.9312  3.4444  16.224  3.8510 181.144 45.080 266.877 34.910 -85.73311      57.01719 
1 1 1 -16 16 5  o 130.487 28.613 3.8869  1.5376 5.1771  2.5118  3.1136  1.9445 148.053 39.377 116.907 35.859 31.14663       53.25806 
1 1 1 -16 16 6  o 165.434 25.065 6.0971  1.7010 3.3092  2.7918  7.7432  2.1452 123.621 43.249 185.753 28.153 -62.13256      51.60498 
1 1 1 -16 16 7  o 188.714 23.109 7.8474  1.8082 9.6991  2.8414  6.5869  2.3443 206.007 33.737 168.952 33.942 37.05403       47.85648 
1 1 1 -16 16 8  o 262.180 26.448 15.206  2.8964 0.0000  0.0000  15.206  2.8964 ?       ?      262.180 26.448 0.000000       26.44827 
1 1 1 -16 16 9  o 319.829 22.938 22.353  3.0861 27.825  4.0414  14.700  4.7799 354.903 27.094 246.485 47.514 108.4178       54.69590 
1 1 1 -16 16 10 o 115.860 29.097 3.0819  1.4257 3.7987  2.1028  2.4720  1.9396 127.640 36.848 106.786 36.095 20.85428       51.58124 
1 1 1 -16 16 11 o 104.309 31.741 2.4616  1.5274 1.5382  1.9794  3.8210  2.4017 94.079  35.837 128.150 39.943 -34.07096      53.66312 
1 1 1 -16 16 12 o 214.424 20.262 10.048  1.8181 11.864  2.7639  8.6628  2.4138 229.619 29.075 195.289 30.158 34.33040       41.89077 
1 1 1 -16 16 13 o 362.469 17.656 28.347  2.7102 28.529  4.1662  28.214  3.5685 357.883 27.704 358.283 23.652 -0.3991394     36.42735 
1 1 1 -16 16 14 o 119.419 27.662 3.2836  1.3715 5.0467  2.1456  2.0656  1.7833 146.053 35.120 98.875  34.568 47.17755       49.27830 
1 1 1 -16 16 15 o 110.055 28.020 2.8001  1.3094 3.9654  2.0861  2.0426  1.6819 129.105 36.519 97.519  33.600 31.58571       49.62459 
1 1 1 -16 16 16 o 245.018 19.919 13.146  2.0490 12.945  3.2721  13.276  2.6281 236.203 33.663 243.531 25.879 -7.327591      42.46109 
1 1 1 -16 16 17 o 175.085 30.118 7.0764  2.1526 0.0000  0.0000  7.0764  2.1526 ?       ?      175.085 30.118 0.000000       30.11758 
1 1 1 -16 16 18 o 177.243 39.133 7.6391  2.8588 0.0000  0.0000  7.6391  2.8588 ?       ?      177.243 39.133 0.000000       39.13270 
1 1 1 -16 16 19 o 555.364 19.159 67.137  4.5060 65.940  5.5909  69.355  7.6119 546.003 24.179 549.378 32.868 -3.375183      40.80371 
1 1 1 -16 17 1  o 116.952 36.075 3.1369  1.9648 2.2900  2.7626  4.0037  2.7951 111.157 42.339 131.600 43.305 -20.44400      60.56307 
1 1 1 -16 17 2  o 152.547 31.102 5.3518  1.9411 1.3868  2.8183  8.9303  2.6775 102.635 41.616 197.264 33.232 -94.62843      53.25597 
1 1 1 -16 17 3  o 289.810 20.297 18.262  2.4754 20.132  4.0833  17.176  3.1125 298.287 32.870 278.363 26.732 19.92474       42.36773 
1 1 1 -16 17 4  o 129.036 27.778 3.7992  1.4730 2.5571  2.3079  4.6530  1.9134 110.624 39.267 141.683 32.571 -31.05965      51.01778 
1 1 1 -16 17 5  o 261.916 24.507 15.104  2.6867 13.268  3.5084  17.706  4.1779 240.374 35.537 277.763 36.393 -37.38924      50.86531 
1 1 1 -16 17 6  o 225.968 27.657 11.393  2.5914 0.0000  0.0000  11.393  2.5914 ?       ?      225.968 27.657 0.000000       27.65718 
1 1 1 -16 17 7  o 465.699 21.690 47.069  4.2776 46.547  5.6689  47.760  6.5186 457.652 29.406 460.262 33.677 -2.610229      44.70797 
1 1 1 -16 17 8  o 203.445 30.427 9.3684  2.5410 0.0000  0.0000  9.3684  2.5410 ?       ?      203.445 30.427 0.000000       30.42692 
1 1 1 -16 17 9  o 383.232 18.219 31.665  2.9569 27.295  4.5362  34.894  3.8991 348.770 31.036 399.503 23.146 -50.73227      38.71648 
1 1 1 -16 17 10 o 198.814 26.631 8.8380  2.1859 11.644  2.8034  4.4867  3.4911 227.210 29.858 139.431 48.386 87.77869       56.85723 
1 1 1 -16 17 11 o 270.251 19.538 15.886  2.2211 14.213  3.4076  17.122  2.9286 249.491 33.066 278.271 25.122 -28.78075      41.52705 
1 1 1 -16 17 12 o 96.673  30.819 2.0790  1.4222 2.9880  1.8606  0.8012  2.2060 113.921 35.099 88.355  36.436 25.56582       50.59197 
1 1 1 -16 17 13 o 303.105 18.807 19.963  2.4021 22.901  3.8087  18.023  3.0954 319.664 28.431 284.665 25.962 34.99927       38.50176 
1 1 1 -16 17 14 o 237.402 20.023 12.333  1.9943 11.622  3.0744  12.850  2.6204 224.172 33.404 239.659 26.247 -15.48639      42.48261 
1 1 1 -16 17 15 o 174.378 23.566 6.7935  1.6957 7.3699  2.7176  6.4259  2.1700 175.318 37.722 166.046 32.020 9.271881       49.47950 
1 1 1 -16 17 16 f 206.609 21.314 9.4242  1.8381 7.7491  2.9593  10.476  2.3455 178.291 40.159 215.793 26.203 -37.50165      47.95141 
1 1 1 -16 17 17 o 329.475 17.092 23.545  2.3766 23.302  3.4365  23.768  3.2903 323.255 25.305 327.372 23.898 -4.116760      34.80596 
1 1 1 -16 17 18 o 241.922 36.906 13.883  3.6614 0.0000  0.0000  13.883  3.6614 ?       ?      241.922 36.906 0.000000       36.90626 
1 1 1 -16 18 1  o 147.496 34.602 5.0969  2.1240 6.3004  3.0889  4.0174  2.9254 160.951 44.039 131.991 44.330 28.95935       62.48714 
1 1 1 -16 18 2  o 197.519 29.751 8.8376  2.4114 7.3936  3.2152  10.694  3.6457 174.452 43.632 211.388 42.203 -36.93628      60.70291 
1 1 1 -16 18 3  o 251.907 20.415 13.837  2.1591 13.236  3.4980  14.206  2.7443 239.574 35.556 253.060 25.976 -13.48602      44.03397 
1 1 1 -16 18 4  o 180.112 22.793 7.1705  1.6997 6.8819  2.6988  7.3602  2.1881 170.469 38.316 179.994 29.745 -9.525009      48.50675 
1 1 1 -16 18 5  o 158.839 30.531 5.7820  1.9791 5.3779  2.7181  6.2380  2.8873 149.772 41.449 160.950 41.937 -11.17798      58.96373 
1 1 1 -16 18 6  o 136.284 28.157 4.2423  1.5713 6.2917  2.7079  3.2019  1.9294 162.376 39.709 117.854 35.632 44.52258       53.35189 
1 1 1 -16 18 7  o 234.941 25.558 12.242  2.5019 11.428  3.4836  13.110  3.5954 220.739 38.675 237.727 36.910 -16.98775      53.46111 
1 1 1 -16 18 8  o 57.598  25.526 -0.3443 1.2360 -1.9520 1.9102  0.8136  1.6212 60.531  28.560 79.549  31.804 -19.01789      42.74586 
1 1 1 -16 18 9  o 266.429 26.373 15.771  2.9366 0.0000  0.0000  15.771  2.9366 ?       ?      266.429 26.373 0.000000       26.37291 
1 1 1 -16 18 10 o 102.503 33.503 2.3301  1.6740 2.2380  2.0583  2.5099  2.8771 103.890 37.061 114.071 43.265 -10.18100      56.96798 
1 1 1 -16 18 11 o 112.955 28.105 2.9392  1.3389 2.9453  2.0453  2.9347  1.7712 113.829 37.024 112.797 34.148 1.032166       50.36780 
1 1 1 -16 18 12 o 98.418  31.370 2.1682  1.4736 2.8070  1.9644  1.3461  2.2285 111.233 36.289 94.324  37.425 16.90906       52.12970 
1 1 1 -16 18 13 o 239.255 19.967 12.522  2.0046 10.951  3.0589  13.705  2.6539 216.945 34.446 247.873 25.653 -30.92781      42.94917 
1 1 1 -16 18 14 o 175.081 22.928 6.8280  1.6591 7.8184  2.4904  6.0377  2.2247 182.937 33.375 160.051 33.879 22.88556       47.55694 
1 1 1 -16 18 15 o 202.737 22.295 9.1098  1.8825 9.6624  3.0305  8.7626  2.4022 201.654 36.845 195.391 29.989 6.262848       47.50662 
1 1 1 -16 18 16 o 575.595 17.329 71.717  4.2241 73.838  6.4519  70.125  5.5884 575.750 26.461 564.139 23.391 11.61084       35.31780 
1 1 1 -16 18 17 o 185.930 19.615 7.6088  1.5212 5.5204  2.1099  9.8694  2.1952 152.549 33.570 209.609 25.237 -57.06013      41.99768 
1 1 1 -16 18 18 f 153.646 20.812 5.2484  1.3193 7.4135  1.8674  3.0909  1.8642 181.369 24.976 114.539 35.107 66.82978       43.08467 
1 1 1 -16 19 1  f 318.779 26.549 22.540  3.5515 0.0000  0.0000  22.540  3.5515 ?       ?      318.779 26.549 0.000000       26.54883 
1 1 1 -16 19 2  o 131.960 40.928 4.1045  2.5251 4.1045  2.5251  0.0000  0.0000 131.960 40.928 ?       ?      0.000000       40.92848 
1 1 1 -16 19 3  o 241.814 21.854 12.824  2.2138 11.876  3.4802  13.468  2.8692 225.201 37.832 245.170 28.145 -19.96924      47.15299 
1 1 1 -16 19 4  o 186.930 23.856 7.7563  1.8455 5.0722  2.9613  9.4605  2.3597 145.052 44.209 205.118 27.888 -60.06673      52.27005 
1 1 1 -16 19 5  o 127.268 31.751 3.7672  1.7057 1.4528  2.3030  6.5790  2.5385 96.794  38.159 166.901 36.896 -70.10699      53.07903 
1 1 1 -16 19 6  o 293.204 19.841 18.705  2.4491 24.237  4.1089  15.656  3.0502 328.659 29.847 264.792 27.606 63.86697       40.65622 
1 1 1 -16 19 7  o 132.380 32.970 4.0955  1.8414 2.4806  2.4637  6.1392  2.7715 110.376 40.387 159.599 40.838 -49.22314      57.43539 
1 1 1 -16 19 8  o 133.296 28.615 4.0823  1.5670 6.8129  2.7757  2.8048  1.8985 168.630 39.552 111.191 35.624 57.43955       53.22955 
1 1 1 -16 19 9  o 188.026 29.761 8.0514  2.2909 0.0000  0.0000  8.0514  2.2909 ?       ?      188.026 29.761 0.000000       29.76060 
1 1 1 -16 19 10 o 236.921 25.845 12.512  2.5510 0.0000  0.0000  12.512  2.5510 ?       ?      236.921 25.845 0.000000       25.84472 
1 1 1 -16 19 11 o 91.881  31.279 1.8030  1.4566 2.7559  1.9118  0.4845  2.2489 110.164 35.794 85.653  36.156 24.51167       50.87671 
1 1 1 -16 19 12 o 208.010 26.000 9.7036  2.2403 11.883  2.9534  6.7507  3.4380 227.729 31.464 163.891 47.059 63.83862       56.60914 
1 1 1 -16 19 13 o 171.228 22.676 6.5284  1.6039 6.0123  2.5650  6.8598  2.0552 157.629 38.708 173.019 29.081 -15.39000      48.41481 
1 1 1 -16 19 14 o 172.848 23.453 6.6795  1.6724 7.2140  2.8678  6.4041  2.0587 171.993 40.110 166.368 30.338 5.624466       50.29149 
1 1 1 -16 19 15 f 266.773 19.168 15.551  2.1511 13.060  3.4160  17.189  2.7692 235.867 35.282 278.299 23.723 -42.43222      42.51549 
1 1 1 -16 19 16 o 141.600 26.361 4.5901  1.5226 7.1614  2.4805  3.0357  1.9287 173.607 34.949 113.858 35.844 59.74981       50.06218 
1 1 1 -16 19 17 o 130.000 23.137 3.8231  1.2271 1.6311  1.7149  6.1229  1.7566 91.127  33.640 164.079 26.158 -72.95261      42.61333 
1 1 1 -16 20 1  o 319.263 26.436 22.617  3.5422 0.0000  0.0000  22.617  3.5422 ?       ?      319.263 26.436 0.000000       26.43632 
1 1 1 -16 20 2  o 257.592 34.699 15.277  3.6889 15.277  3.6889  0.0000  0.0000 257.592 34.699 ?       ?      0.000000       34.69890 
1 1 1 -16 20 3  o 244.400 21.319 13.087  2.1844 12.343  3.4032  13.608  2.8488 230.396 36.062 246.457 27.779 -16.06131      45.52057 
1 1 1 -16 20 4  o 356.843 19.046 27.634  2.8678 21.849  4.4079  31.880  3.7763 308.831 34.281 380.969 23.521 -72.13782      41.57499 
1 1 1 -16 20 5  o 215.400 22.580 10.232  2.0291 9.9214  3.4184  10.400  2.5214 203.331 41.111 214.773 28.419 -11.44215      49.97799 
1 1 1 -16 20 6  o 241.405 21.304 12.776  2.1556 16.158  3.5508  10.802  2.7127 266.311 32.133 218.090 30.180 48.22037       44.08394 
1 1 1 -16 20 7  o 300.504 35.825 20.869  4.4692 0.0000  0.0000  20.869  4.4692 ?       ?      300.504 35.825 0.000000       35.82471 
1 1 1 -16 20 8  o 513.356 17.969 56.946  3.9066 58.181  6.2760  56.165  4.9915 509.877 29.187 506.388 23.276 3.489685       37.33109 
1 1 1 -16 20 9  o 254.203 19.493 14.095  2.0824 16.094  3.3031  12.776  2.6827 266.801 29.740 238.766 27.006 28.03548       40.17248 
1 1 1 -16 20 10 o 278.990 24.873 17.273  2.9079 0.0000  0.0000  17.273  2.9079 ?       ?      278.990 24.873 0.000000       24.87322 
1 1 1 -16 20 11 o 168.941 22.662 6.3525  1.5805 9.1062  2.6211  4.7792  1.9812 198.442 32.300 142.344 33.435 56.09740       46.48889 
1 1 1 -16 20 12 o 315.493 22.105 21.891  2.9347 21.545  3.9023  22.341  4.4526 308.049 30.305 310.798 34.406 -2.748657      45.84945 
1 1 1 -16 20 13 o 218.691 24.333 10.669  2.2154 6.8811  2.8848  16.114  3.4588 167.453 41.007 265.180 31.410 -97.72746      51.65405 
1 1 1 -16 20 14 o 306.204 18.567 20.427  2.3962 19.173  3.8785  21.201  3.0474 288.642 32.283 309.439 23.428 -20.79727      39.88807 
1 1 1 -16 20 15 o 291.367 18.942 18.533  2.3246 23.073  3.8804  15.992  2.9032 319.045 29.038 267.030 26.002 52.01480       38.97830 
1 1 1 -16 20 16 o 109.247 25.903 2.7557  1.1802 2.9299  1.7405  2.6074  1.6058 111.750 33.855 106.012 32.598 5.738274       46.99766 
1 1 1 -16 21 1  o 330.314 26.146 24.193  3.6275 0.0000  0.0000  24.193  3.6275 ?       ?      330.314 26.146 0.000000       26.14600 
1 1 1 -16 21 2  f 428.716 35.519 42.164  6.3907 0.0000  0.0000  42.164  6.3907 ?       ?      428.716 35.519 0.000000       35.51949 
1 1 1 -16 21 3  f 198.264 28.537 8.8951  2.3270 9.3604  2.9921  8.1829  3.7017 199.531 36.764 180.800 47.668 18.73108       60.19834 
1 1 1 -16 21 4  o 181.926 26.061 7.4352  1.9505 7.7764  3.2915  7.2505  2.4215 177.899 43.947 176.439 33.635 1.459091       55.34115 
1 1 1 -16 21 5  o 290.846 19.814 18.438  2.4260 17.242  3.9560  19.159  3.0714 273.205 34.996 294.122 24.892 -20.91672      42.94554 
1 1 1 -16 21 6  o 111.726 34.683 2.8736  1.8128 3.7825  2.5395  1.9292  2.5887 127.017 41.252 104.760 40.701 22.25751       57.95116 
1 1 1 -16 21 7  o 143.531 42.025 5.0033  2.7179 0.0000  0.0000  5.0033  2.7179 ?       ?      143.531 42.025 0.000000       42.02456 
1 1 1 -16 21 8  o 289.209 19.115 18.213  2.3280 19.409  3.8883  17.544  2.9065 291.632 32.010 281.289 24.648 10.34311       40.39999 
1 1 1 -16 21 9  o 209.014 21.803 9.6394  1.9015 9.0862  3.2173  9.9363  2.3573 193.908 40.486 209.996 27.142 -16.08757      48.74214 
1 1 1 -16 21 10 o 133.630 25.798 4.0713  1.4070 3.7339  2.2053  4.3029  1.8273 125.405 38.135 135.277 32.335 -9.872253      49.99865 
1 1 1 -16 21 11 o 265.693 24.721 15.706  2.7497 0.0000  0.0000  15.706  2.7497 ?       ?      265.693 24.721 0.000000       24.72145 
1 1 1 -16 21 12 o 156.282 27.715 5.5930  1.7671 5.4140  2.3500  5.8258  2.6806 149.852 37.203 154.150 40.526 -4.297150      55.01328 
1 1 1 -16 21 13 f 264.664 31.686 16.101  3.4808 16.101  3.4808  0.0000  0.0000 264.664 31.686 ?       ?      0.000000       31.68584 
1 1 1 -16 21 14 f 357.877 18.454 27.883  2.7873 30.448  4.6282  26.423  3.4915 365.908 30.136 345.087 24.041 20.82068       38.55034 
1 1 1 -16 21 15 o 312.064 18.309 21.217  2.4090 20.710  3.9167  21.526  3.0553 300.445 31.240 311.644 23.319 -11.19904      38.98342 
1 1 1 -16 22 2  o 249.377 28.448 13.986  2.9506 0.0000  0.0000  13.986  2.9506 ?       ?      249.377 28.448 0.000000       28.44834 
1 1 1 -16 22 3  o 335.490 24.818 24.888  3.5010 25.445  4.6874  24.185  5.2651 333.476 33.652 320.589 39.624 12.88705       51.98527 
1 1 1 -16 22 4  o 218.341 28.130 10.756  2.5405 10.815  3.3455  10.676  3.9047 213.608 38.394 207.870 45.609 5.738022       59.61768 
1 1 1 -16 22 5  o 496.691 18.266 53.383  3.8421 55.570  6.1672  51.996  4.9118 497.630 29.395 486.540 23.838 11.09000       37.84615 
1 1 1 -16 22 6  o 95.174  34.495 1.8198  1.7912 1.6566  2.7586  1.9388  2.3553 103.525 41.453 102.355 39.067 1.169952       56.96160 
1 1 1 -16 22 7  o 161.831 41.332 6.4022  2.8428 0.0000  0.0000  6.4022  2.8428 ?       ?      161.831 41.332 0.000000       41.33244 
1 1 1 -16 22 8  o 98.744  30.713 2.2106  1.4208 5.8581  2.5649  0.5958  1.7066 155.566 39.004 77.854  32.070 77.71171       50.49566 
1 1 1 -16 22 9  o 212.267 21.568 9.9404  1.9119 12.625  3.2796  8.5581  2.3531 232.974 34.264 193.370 29.684 39.60335       45.33364 
1 1 1 -16 22 10 o 89.599  27.963 1.7988  1.1767 0.4172  1.9608  2.5763  1.4709 80.083  33.780 105.497 30.924 -25.41380      45.79738 
1 1 1 -16 22 11 o 423.614 17.445 38.837  3.1296 39.527  4.9148  38.366  4.0588 419.669 27.811 417.122 23.067 2.547241       36.13218 
1 1 1 -16 22 12 o 105.097 32.098 2.5532  1.5599 0.0000  0.0000  2.5532  1.5599 ?       ?      105.097 32.098 0.000000       32.09760 
1 1 1 -16 22 13 o 312.666 22.939 21.621  3.0162 25.024  4.1550  17.831  4.3855 331.705 29.900 273.145 39.021 58.55923       49.15961 
1 1 1 -16 22 14 o 267.542 22.962 15.869  2.5765 16.096  3.5241  15.608  3.7763 263.953 32.193 257.599 35.565 6.353851       47.97146 
1 1 1 -16 23 3  o 214.191 43.237 11.166  3.7867 0.0000  0.0000  11.166  3.7867 ?       ?      214.191 43.237 0.000000       43.23654 
1 1 1 -16 23 4  o 256.191 24.996 14.590  2.6774 13.927  3.7328  15.292  3.8425 243.421 37.407 255.829 36.502 -12.40781      52.26546 
1 1 1 -16 23 5  o 187.245 24.327 7.8304  1.8835 5.4503  3.2547  9.0289  2.3095 148.487 46.534 199.641 28.094 -51.15366      54.35728 
1 1 1 -16 23 6  o 187.435 23.442 7.8222  1.8200 9.8345  3.2275  6.8840  2.2039 202.696 39.015 172.436 31.334 30.26025       50.03971 
1 1 1 -16 23 7  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -16 23 8  o 119.555 27.807 3.3075  1.3813 2.0415  2.5282  3.8463  1.6492 104.882 40.370 128.191 30.770 -23.30998      50.75903 
1 1 1 -16 23 9  o 123.945 26.484 3.5317  1.3479 0.8715  2.3968  4.7623  1.6302 91.098  37.808 143.954 27.746 -52.85632      46.89644 
1 1 1 -16 23 10 o 77.151  27.840 1.1588  1.1648 2.1031  1.8661  0.5560  1.4909 99.585  35.314 73.407  30.076 26.17859       46.38523 
1 1 1 -16 23 11 o 223.272 19.713 10.936  1.8448 11.448  2.9064  10.591  2.3873 222.643 31.722 216.685 26.573 5.958160       41.38137 
1 1 1 -16 23 12 o 205.869 21.644 9.3815  1.8588 12.605  3.2228  7.7747  2.2754 232.436 33.725 183.413 30.356 49.02255       45.37458 
1 1 1 -16 23 13 o 249.846 25.328 13.986  2.6429 0.0000  0.0000  13.986  2.6429 ?       ?      249.846 25.328 0.000000       25.32804 
1 1 1 -16 24 5  o 99.115  33.350 2.1572  1.6557 1.2403  2.3953  2.9962  2.2913 94.990  38.418 115.136 39.230 -20.14622      54.90800 
1 1 1 -16 24 6  o 72.873  28.563 0.7809  1.2835 0.2425  2.5917  0.9559  1.4774 88.343  38.091 78.663  30.696 9.680084       48.92045 
1 1 1 -16 24 7  o 104.878 38.883 2.2209  2.2960 0.0000  0.0000  2.2209  2.2960 ?       ?      104.878 38.883 0.000000       38.88311 
1 1 1 -16 24 8  o 157.423 31.151 5.7735  2.0032 7.2681  2.7664  4.1258  2.9046 173.383 38.661 131.437 44.172 41.94647       58.70157 
1 1 1 -16 24 9  o 142.970 23.126 4.5970  1.3524 5.2604  2.1368  4.1536  1.7467 148.622 34.597 132.882 31.516 15.74004       46.79999 
1 1 1 -16 24 10 o 80.726  27.786 1.3633  1.1501 1.0629  1.8503  1.5524  1.4682 85.420  34.035 87.427  31.289 -2.007317      46.23145 
1 1 1 -16 24 11 o 102.090 27.806 2.4136  1.2347 2.8394  1.9816  2.1433  1.5787 111.010 36.459 98.035  32.559 12.97456       48.88071 
1 1 1 -15 0  1  o 148.057 51.714 6.2053  2.9340 0.0000  0.0000  6.2053  2.9340 148.057 51.714 148.057 51.714 0.000000       0.000000 
1 1 1 -15 0  2  o 428.623 34.174 40.193  6.1124 0.0000  0.0000  40.193  6.1124 428.623 34.174 428.623 34.174 -0.000000      0.000000 
1 1 1 -15 0  3  o 232.323 27.150 11.986  2.5759 12.342  3.7103  11.656  3.5789 228.419 42.739 221.408 42.767 0.000000       0.000000 
1 1 1 -15 0  4  f 310.777 24.395 20.972  3.1651 24.234  4.4170  17.528  4.5377 331.738 32.133 276.348 41.543 -0.000000      0.000000 
1 1 1 -15 0  5  o 471.627 23.254 47.750  4.6188 52.516  6.6195  43.228  6.4478 491.883 32.091 444.653 34.728 -0.000000      0.000000 
1 1 1 -15 0  6  o 278.613 24.444 16.930  2.8331 16.542  4.0189  17.314  3.9945 270.152 37.121 277.392 35.613 0.000000       0.000000 
1 1 1 -15 0  7  o 229.895 38.958 12.287  3.4659 0.0000  0.0000  12.287  3.4659 229.895 38.958 229.895 38.958 -0.000000      0.000000 
1 1 1 -15 0  8  o 187.371 44.733 8.7298  3.0798 0.0000  0.0000  8.7298  3.0798 187.371 44.733 187.371 44.733 0.000000       0.000000 
1 1 1 -15 0  9  o 382.082 32.681 31.997  5.1991 0.0000  0.0000  31.997  5.1991 382.082 32.681 382.082 32.681 -0.000000      0.000000 
1 1 1 -15 0  10 o 563.274 22.470 67.948  5.3406 64.857  7.3833  71.340  7.7345 546.980 32.128 573.957 32.049 0.000000       0.000000 
1 1 1 -15 0  11 f 283.466 23.343 17.481  2.7585 14.712  3.8026  20.557  4.0078 253.382 37.946 304.711 31.855 0.000000       0.000000 
1 1 1 -15 0  12 o 236.292 24.164 12.283  2.3600 11.258  3.2039  13.499  3.4897 219.714 37.787 242.807 36.335 0.000000       0.000000 
1 1 1 -15 0  13 o 662.439 22.216 93.914  6.2164 93.505  9.1137  94.270  8.5009 656.830 32.953 660.601 30.535 -0.000000      0.000000 
1 1 1 -15 0  14 o 139.081 32.185 4.7479  1.6494 5.7583  2.5274  3.9983  2.1769 144.955 46.642 115.604 46.009 -0.000000      0.000000 
1 1 1 -15 0  15 o 385.663 32.846 32.738  5.2750 0.0000  0.0000  32.738  5.2750 385.663 32.846 385.663 32.846 0.000000       0.000000 
1 1 1 -15 0  16 o 106.340 44.340 3.4606  1.9958 0.0000  0.0000  3.4606  1.9958 106.340 44.340 106.340 44.340 -0.000000      0.000000 
1 1 1 -15 0  17 o 127.574 29.380 3.9943  1.3817 4.2082  2.3245  3.8775  1.7183 117.567 47.674 118.884 38.587 -0.000000      0.000000 
1 1 1 -15 0  18 o 186.191 22.470 7.7336  1.7033 9.9368  2.7729  6.3985  2.1586 206.154 34.719 161.314 36.196 -0.000000      0.000000 
1 1 1 -15 0  19 o 330.063 19.813 23.532  2.7466 24.275  4.3446  23.037  3.5448 330.307 31.732 324.119 26.220 -0.000000      0.000000 
1 1 1 -15 0  20 o 227.777 20.531 11.365  1.9434 12.557  2.5032  9.5568  3.0835 237.623 25.630 197.189 42.016 0.000000       0.000000 
1 1 1 -15 0  21 o 178.581 20.144 7.0784  1.4735 6.4014  2.4471  7.4634  1.8456 156.294 42.761 181.160 25.511 -0.000000      0.000000 
1 1 1 -15 0  22 o 200.146 22.616 8.9305  1.8539 8.9305  1.8539  0.0000  0.0000 200.146 22.616 200.146 22.616 0.000000       0.000000 
1 1 1 -15 0  23 o 168.424 23.359 6.4459  1.5746 0.0000  0.0000  6.4459  1.5746 168.424 23.359 168.424 23.359 -0.000000      0.000000 
1 1 1 -15 0  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 1  1  o 117.535 31.574 3.1036  1.6050 4.9070  2.2543  1.2496  2.2857 146.897 36.418 96.569  38.032 50.32833       52.65651 
1 1 1 -15 1  2  o 297.895 24.670 19.203  3.0842 21.144  4.3786  17.291  4.3451 309.860 33.922 278.527 37.815 31.33365       50.80014 
1 1 1 -15 1  3  o 469.349 16.430 46.957  3.2658 44.990  4.6059  48.945  4.6312 457.137 23.874 477.691 22.893 -20.55331      33.07696 
1 1 1 -15 1  4  o 299.630 17.227 19.211  2.1767 20.517  3.0648  17.881  3.0921 308.298 23.654 287.185 25.695 21.11316       34.92537 
1 1 1 -15 1  5  o 378.299 16.441 30.504  2.6339 31.375  3.7023  29.611  3.7479 381.794 23.006 370.603 24.009 11.19098       33.25204 
1 1 1 -15 1  6  o 519.455 18.685 57.628  4.1104 59.333  5.0114  54.121  7.1854 526.078 22.494 497.310 34.328 28.76874       41.04115 
1 1 1 -15 1  7  o 340.082 18.969 24.784  2.7210 23.105  3.2980  28.364  4.8154 327.151 23.971 360.152 31.902 -33.00107      39.90450 
1 1 1 -15 1  8  o 385.377 23.154 31.984  3.7613 30.363  5.3055  33.622  5.3330 371.827 34.072 392.066 32.410 -20.23911      47.02474 
1 1 1 -15 1  9  o 407.780 22.556 35.777  3.8800 35.789  5.4734  35.766  5.5011 404.549 32.215 404.347 32.398 0.2025146      45.68801 
1 1 1 -15 1  10 o 252.247 16.813 13.633  1.7857 13.850  2.5210  13.415  2.5298 252.782 23.831 248.622 24.340 4.160431       34.06353 
1 1 1 -15 1  11 o 293.667 16.020 18.443  1.9848 15.831  2.7738  21.182  2.8411 270.165 24.511 313.593 21.524 -43.42743      32.62003 
1 1 1 -15 1  12 o 478.060 15.562 48.726  3.1506 47.347  4.4093  50.165  4.5036 469.593 22.172 483.416 21.998 -13.82309      31.23325 
1 1 1 -15 1  13 o 268.974 16.151 15.493  1.8312 15.155  2.5640  15.845  2.6163 264.457 23.126 270.473 23.062 -6.016602      32.65995 
1 1 1 -15 1  14 o 141.827 20.304 4.3990  1.1847 5.9615  1.6706  2.8184  1.6803 164.473 24.752 112.350 33.085 52.12282       41.31929 
1 1 1 -15 1  15 o 272.252 18.570 15.952  2.1283 16.244  2.5377  15.259  3.9077 273.849 22.070 260.405 36.432 13.44434       42.59557 
1 1 1 -15 1  16 o 221.283 23.704 10.701  2.1867 0.0000  0.0000  10.701  2.1867 ?       ?      221.283 23.704 0.000000       23.70358 
1 1 1 -15 1  17 o 196.191 17.157 8.3111  1.4112 9.1714  1.7878  6.8894  2.2984 205.258 20.857 174.132 32.359 31.12614       38.49830 
1 1 1 -15 1  18 o 182.155 15.037 7.1451  1.1496 5.6110  1.6020  8.7736  1.6506 158.896 24.603 200.883 19.654 -41.98705      31.48919 
1 1 1 -15 1  19 o 329.852 13.915 23.255  1.9438 24.767  2.7404  21.723  2.7575 338.480 19.197 316.397 20.694 22.08267       28.22686 
1 1 1 -15 1  20 o 368.047 15.235 29.024  2.3746 31.971  3.8167  27.162  3.0332 382.446 23.682 353.887 20.324 28.55954       31.20747 
1 1 1 -15 1  21 o 94.576  24.703 2.0297  1.0002 1.9442  1.2197  2.2054  1.7478 93.250  28.361 101.205 34.264 -7.954262      44.47897 
1 1 1 -15 1  22 o 185.690 18.403 7.5252  1.4281 0.0000  0.0000  7.5252  1.4281 ?       ?      185.690 18.403 0.000000       18.40270 
1 1 1 -15 1  23 o 185.573 15.100 7.4542  1.1764 7.4931  1.6900  7.4176  1.6385 183.812 22.157 183.095 21.543 0.7171326      30.90396 
1 1 1 -15 1  24 o 195.019 25.195 8.5462  2.0322 8.5462  2.0322  0.0000  0.0000 195.019 25.195 ?       ?      0.000000       25.19485 
1 1 1 -15 1  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 2  1  o 214.051 26.111 10.012  2.3179 11.808  3.2648  8.1880  3.2913 230.271 34.544 188.859 42.212 41.41142       54.54550 
1 1 1 -15 2  2  o 348.219 24.346 26.182  3.5676 21.924  4.9600  30.746  5.1354 314.029 38.075 374.708 32.689 -60.67944      50.18244 
1 1 1 -15 2  3  f 190.616 19.492 7.8448  1.5513 7.3133  2.1722  8.3981  2.2162 181.793 29.203 195.513 27.529 -13.71948      40.13319 
1 1 1 -15 2  4  o 312.795 16.872 20.922  2.2266 21.529  3.1111  20.284  3.1882 315.904 23.422 306.237 24.796 9.667114       34.10934 
1 1 1 -15 2  5  o 297.703 17.083 18.962  2.1447 19.271  2.9878  18.634  3.0805 298.688 23.819 293.377 25.034 5.310822       34.55458 
1 1 1 -15 2  6  o 296.894 19.360 18.915  2.4208 18.786  2.9204  19.199  4.3279 294.934 23.579 294.673 35.389 0.2608643      42.52464 
1 1 1 -15 2  7  o 462.133 18.444 45.607  3.6098 48.831  4.4168  39.122  6.2642 477.377 21.848 421.934 35.384 55.44226       41.58550 
1 1 1 -15 2  8  o 451.536 18.395 43.543  3.5176 42.865  4.2574  45.001  6.2442 446.495 22.589 453.791 32.711 -7.296112      39.75303 
1 1 1 -15 2  9  o 233.607 20.023 11.758  1.9617 14.414  3.3327  10.350  2.4267 255.891 31.414 217.497 26.921 38.39375       41.37108 
1 1 1 -15 2  10 o 409.842 17.926 35.871  3.1113 35.637  3.8095  36.340  5.3920 407.007 22.185 407.816 31.464 -0.8094482     38.49908 
1 1 1 -15 2  11 o 312.067 15.883 20.817  2.0922 22.858  2.9275  18.685  2.9911 325.856 21.332 293.737 24.262 32.11850       32.30629 
1 1 1 -15 2  12 f 188.629 18.272 7.6750  1.4413 8.5970  2.0087  6.6966  2.0692 198.395 24.424 173.537 29.193 24.85855       38.06221 
1 1 1 -15 2  13 o 387.124 15.568 31.965  2.5523 35.374  3.5674  28.389  3.6531 405.573 20.840 362.298 23.945 43.27496       31.74397 
1 1 1 -15 2  14 o 161.378 18.511 5.6455  1.2422 5.6620  1.7813  5.6299  1.7332 159.530 27.351 159.250 26.641 0.2797852      38.18140 
1 1 1 -15 2  15 o 340.866 17.464 24.925  2.5125 25.067  2.9728  24.571  4.7006 340.953 20.686 332.613 33.842 8.339813       39.66376 
1 1 1 -15 2  16 o 86.988  29.616 1.5468  1.3058 0.0000  0.0000  1.5468  1.3058 ?       ?      86.988  29.616 0.000000       29.61561 
1 1 1 -15 2  17 o 91.173  23.339 1.8682  0.9050 2.9204  1.1578  0.2162  1.4508 113.891 24.716 69.381  29.150 44.50970       38.21768 
1 1 1 -15 2  18 o 377.183 15.969 30.477  2.5508 34.534  4.1447  28.003  3.2364 397.600 24.738 359.321 21.365 38.27924       32.68642 
1 1 1 -15 2  19 o 356.273 15.463 27.189  2.3330 27.203  3.7720  27.181  2.9690 352.087 25.469 354.375 19.864 -2.287994      32.29955 
1 1 1 -15 2  20 o 362.850 15.263 28.212  2.3454 29.350  3.7196  27.462  3.0219 366.142 24.124 355.903 20.132 10.23895       31.42081 
1 1 1 -15 2  21 o 229.218 19.232 11.431  1.8496 13.212  2.2858  8.0535  3.1479 245.483 22.229 183.256 41.523 62.22720       47.09826 
1 1 1 -15 2  22 o 173.204 14.282 6.4765  1.0382 5.7414  1.6301  6.9782  1.3467 159.885 24.884 178.851 18.026 -18.96600      30.72759 
1 1 1 -15 2  23 o 127.140 19.113 3.5814  0.9973 0.0000  0.0000  3.5814  0.9973 ?       ?      127.140 19.113 0.000000       19.11336 
1 1 1 -15 2  24 o 133.179 21.800 3.9766  1.1870 3.6706  1.5229  4.4500  1.8945 125.484 29.206 137.056 33.029 -11.57206      44.08948 
1 1 1 -15 2  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 3  1  o 784.625 24.090 132.356 8.0048 146.990 11.294  117.583 11.347 821.831 32.450 732.356 36.587 89.47504       48.90416 
1 1 1 -15 3  2  o 506.588 23.248 55.091  4.9874 61.319  7.0031  48.681  7.1046 530.679 31.300 470.551 35.924 60.12799       47.64650 
1 1 1 -15 3  3  o 461.063 16.338 45.314  3.1902 44.666  4.4607  45.991  4.5642 455.659 23.193 462.322 23.388 -6.662659      32.93796 
1 1 1 -15 3  4  o 265.909 17.370 15.147  1.9453 12.785  2.6978  17.706  2.8077 242.183 26.750 286.319 23.359 -44.13615      35.51373 
1 1 1 -15 3  5  o 484.656 16.265 50.063  3.3383 54.255  4.6710  45.687  4.7727 503.203 21.919 460.445 24.565 42.75845       32.92230 
1 1 1 -15 3  6  o 318.234 23.853 21.864  3.1912 23.927  4.4449  19.670  4.5845 330.483 32.167 297.643 37.182 32.83978       49.16507 
1 1 1 -15 3  7  o 235.769 24.910 12.080  2.4495 12.060  3.3526  12.103  3.5875 232.724 35.108 232.285 37.766 0.4388428      51.56463 
1 1 1 -15 3  8  o 256.895 19.628 14.191  2.1192 15.116  2.5823  12.284  3.7087 264.376 23.303 233.632 38.848 30.74402       45.30091 
1 1 1 -15 3  9  o 347.056 23.225 25.974  3.3938 0.0000  0.0000  25.974  3.3938 ?       ?      347.056 23.225 0.000000       23.22497 
1 1 1 -15 3  10 o 403.495 17.946 34.771  3.0666 34.824  3.7239  34.660  5.4052 402.378 21.936 397.834 32.363 4.544098       39.09673 
1 1 1 -15 3  11 o 241.633 16.345 12.510  1.6628 14.299  2.3076  10.579  2.3980 257.386 21.364 219.957 26.263 37.42838       33.85489 
1 1 1 -15 3  12 o 345.780 15.685 25.497  2.2968 27.377  3.2209  23.551  3.2762 356.604 21.427 330.060 23.594 26.54391       31.87183 
1 1 1 -15 3  13 o 344.660 15.621 25.340  2.2801 24.630  3.1639  26.106  3.2887 337.833 22.239 347.786 22.449 -9.952911      31.59950 
1 1 1 -15 3  14 o 795.035 15.726 134.911 5.2949 137.229 7.2993  132.337 7.6924 799.044 21.571 783.777 23.175 15.26715       31.66053 
1 1 1 -15 3  15 o 596.255 17.367 76.074  4.3854 75.893  5.1977  76.520  8.1695 594.264 20.653 589.303 32.866 4.961670       38.81640 
1 1 1 -15 3  16 o 189.210 24.791 7.8814  1.9387 0.0000  0.0000  7.8814  1.9387 ?       ?      189.210 24.791 0.000000       24.79119 
1 1 1 -15 3  17 o 180.429 21.002 7.1111  1.5747 9.2229  2.1875  4.8398  2.2687 204.343 25.857 144.365 36.952 59.97803       45.10005 
1 1 1 -15 3  18 o 404.183 15.994 35.000  2.7376 37.305  4.3933  33.537  3.5002 413.002 25.240 393.426 21.085 19.57568       32.88802 
1 1 1 -15 3  19 o 152.230 18.182 5.0531  1.1490 8.1147  1.8810  3.2308  1.4512 191.837 23.654 118.822 29.076 73.01431       37.48222 
1 1 1 -15 3  20 o 286.325 15.319 17.618  1.8508 19.572  2.8765  16.238  2.4178 299.202 22.875 273.047 21.072 26.15448       31.10118 
1 1 1 -15 3  21 o 172.861 20.501 6.5609  1.4715 7.4389  1.7780  4.6517  2.6218 183.260 23.447 139.799 41.372 43.46114       47.55442 
1 1 1 -15 3  22 o 136.295 15.789 4.0468  0.8944 4.9795  1.4100  3.4188  1.1570 149.272 23.047 123.177 23.027 26.09546       32.57943 
1 1 1 -15 3  23 f 147.105 36.245 5.1825  2.2433 0.0000  0.0000  5.1825  2.2433 ?       ?      147.105 36.245 0.000000       36.24495 
1 1 1 -15 3  24 o 205.077 23.898 9.3880  2.0366 9.3880  2.0366  0.0000  0.0000 205.077 23.898 ?       ?      0.000000       23.89832 
1 1 1 -15 4  1  o 582.669 23.665 72.965  5.8394 75.081  8.1111  70.688  8.4137 586.253 32.802 567.485 35.183 18.76849       48.10183 
1 1 1 -15 4  2  o 329.931 20.001 23.370  2.7814 24.610  4.7576  22.727  3.4283 334.364 34.075 324.039 25.181 10.32529       42.36935 
1 1 1 -15 4  3  o 514.210 18.833 56.491  4.1011 54.537  4.9767  60.624  7.2393 504.049 23.315 527.108 32.590 -23.05902      40.07128 
1 1 1 -15 4  4  o 241.334 17.971 12.499  1.8236 13.200  2.5738  11.793  2.5840 246.552 24.996 232.474 26.734 14.07848       36.59904 
1 1 1 -15 4  5  o 192.189 19.785 7.9787  1.5873 10.024  2.2406  5.9177  2.2490 214.494 25.143 162.025 33.868 52.46979       42.18060 
1 1 1 -15 4  6  o 402.702 23.025 34.905  3.9104 32.139  5.3955  37.965  5.6754 382.845 33.619 416.809 32.407 -33.96457      46.69567 
1 1 1 -15 4  7  o 509.884 22.782 55.775  4.9193 51.858  6.8311  59.995  7.0902 487.023 33.320 524.584 32.069 -37.56073      46.24599 
1 1 1 -15 4  8  o 528.340 18.300 59.618  4.0945 58.683  4.9375  61.675  7.3267 523.103 22.288 531.488 32.710 -8.385254      39.58218 
1 1 1 -15 4  9  o 430.270 23.009 39.856  4.1774 0.0000  0.0000  39.856  4.1774 ?       ?      430.270 23.009 0.000000       23.00874 
1 1 1 -15 4  10 o 108.419 26.720 2.6358  1.2190 2.3540  1.4385  3.3534  2.2957 103.322 30.661 123.745 39.124 -20.42280      49.70694 
1 1 1 -15 4  11 o 226.380 16.525 10.991  1.5733 10.229  2.1408  11.886  2.3198 216.867 23.696 233.944 23.745 -17.07620      33.54529 
1 1 1 -15 4  12 o 512.053 15.574 55.912  3.3772 60.525  4.7003  50.988  4.8556 531.271 20.891 486.796 23.554 44.47504       31.48347 
1 1 1 -15 4  13 o 404.069 17.790 34.908  3.0443 37.180  4.9084  33.488  3.8809 413.119 28.225 393.732 23.380 19.38739       36.65026 
1 1 1 -15 4  14 o 382.445 17.187 31.271  2.7837 26.498  4.3486  34.584  3.6234 347.552 29.834 400.588 21.436 -53.03619      36.73698 
1 1 1 -15 4  15 o 146.288 25.575 4.7622  1.5267 3.4054  1.8890  7.3176  2.5924 122.504 34.786 179.150 35.425 -56.64546      49.64927 
1 1 1 -15 4  16 o 224.659 17.950 10.888  1.6935 11.112  2.6593  10.735  2.1964 223.858 28.713 221.543 23.783 2.315063       37.28344 
1 1 1 -15 4  17 o 147.431 25.925 4.8622  1.5596 0.0000  0.0000  4.8622  1.5596 ?       ?      147.431 25.925 0.000000       25.92536 
1 1 1 -15 4  18 o 523.544 28.014 60.313  6.1887 0.0000  0.0000  60.313  6.1887 ?       ?      523.544 28.014 0.000000       28.01418 
1 1 1 -15 4  19 o 186.720 17.146 7.5490  1.3407 9.3190  2.1600  6.4398  1.7099 205.154 25.405 170.352 24.398 34.80115       35.22335 
1 1 1 -15 4  20 o 243.182 15.454 12.727  1.5833 12.636  2.4605  12.791  2.0684 239.395 24.620 242.384 20.339 -2.989288      31.93460 
1 1 1 -15 4  21 o 225.913 15.020 10.993  1.4288 10.706  2.1710  11.212  1.8978 220.220 23.649 226.711 19.970 -6.490799      30.95280 
1 1 1 -15 4  22 o 257.001 18.296 14.355  1.9783 16.351  2.3795  9.8871  3.5601 273.407 20.704 201.416 43.043 71.99138       47.76383 
1 1 1 -15 4  23 o 225.943 18.847 11.152  1.7869 13.395  2.1553  6.2185  3.1959 246.973 20.801 157.542 45.411 89.43033       49.94846 
1 1 1 -15 4  24 o 109.524 34.694 2.7768  1.8046 0.0000  0.0000  2.7768  1.8046 ?       ?      109.524 34.694 0.000000       34.69416 
1 1 1 -15 5  1  o 499.414 19.026 53.332  4.0240 51.305  4.8328  57.913  7.2662 488.628 23.355 514.173 33.554 -25.54462      40.88172 
1 1 1 -15 5  2  o 459.288 23.985 45.460  4.6490 0.0000  0.0000  45.460  4.6490 ?       ?      459.288 23.985 0.000000       23.98512 
1 1 1 -15 5  3  o 191.097 22.939 7.9444  1.8193 8.1060  2.1302  7.5087  3.4976 192.118 26.921 180.147 45.757 11.97025       53.08925 
1 1 1 -15 5  4  o 352.666 16.583 26.519  2.4767 27.250  3.4369  25.730  3.5721 355.658 22.941 345.113 24.602 10.54449       33.63842 
1 1 1 -15 5  5  o 506.529 16.142 54.687  3.4625 58.043  4.8200  51.107  4.9773 520.419 21.870 487.711 24.098 32.70874       32.54269 
1 1 1 -15 5  6  o 284.974 24.449 17.579  2.9220 12.846  3.9988  23.003  4.2804 238.266 41.115 324.090 31.588 -85.82378      51.84870 
1 1 1 -15 5  7  o 352.255 23.622 26.765  3.5035 31.578  4.8344  21.442  5.0844 380.612 30.242 309.813 39.662 70.79907       49.87684 
1 1 1 -15 5  8  o 455.303 18.200 44.274  3.5092 46.729  4.2241  38.806  6.3044 467.000 21.359 419.762 35.807 47.23798       41.69353 
1 1 1 -15 5  9  o 368.757 23.383 29.325  3.6327 0.0000  0.0000  29.325  3.6327 ?       ?      368.757 23.383 0.000000       23.38307 
1 1 1 -15 5  10 o 457.492 21.727 44.891  4.2095 42.531  5.7097  47.702  6.2307 441.513 30.728 467.272 31.674 -25.75885      44.12997 
1 1 1 -15 5  11 o 374.617 17.766 29.982  2.8186 28.775  4.5237  30.747  3.6035 363.013 29.686 377.685 22.634 -14.67206      37.32998 
1 1 1 -15 5  12 o 247.576 19.201 13.196  1.9974 11.403  3.3333  14.201  2.4949 225.256 36.166 255.924 23.274 -30.66882      43.00756 
1 1 1 -15 5  13 o 392.621 17.567 32.955  2.9209 33.242  4.6073  32.763  3.7770 390.522 28.045 389.504 22.999 1.017700       36.26990 
1 1 1 -15 5  14 o 540.243 17.298 62.416  3.9576 61.063  6.2272  63.333  5.1260 529.527 27.867 542.423 22.315 -12.89648      35.70045 
1 1 1 -15 5  15 o 284.283 21.158 17.481  2.5290 16.895  3.2302  18.408  4.0649 277.319 27.883 287.114 34.098 -9.795013      44.04661 
1 1 1 -15 5  16 o 216.897 17.896 10.154  1.6291 10.176  2.5239  10.138  2.1329 214.084 28.549 215.180 23.805 -1.095810      37.17205 
1 1 1 -15 5  17 o 147.306 26.740 4.8711  1.6066 0.0000  0.0000  4.8711  1.6066 ?       ?      147.306 26.740 0.000000       26.73952 
1 1 1 -15 5  18 o 274.404 19.772 16.317  2.2822 17.905  3.1409  14.540  3.3219 285.084 26.313 254.514 31.492 30.57068       41.03770 
1 1 1 -15 5  19 o 253.710 15.983 13.855  1.7085 13.977  2.6430  13.767  2.2393 251.890 25.111 251.353 21.236 0.5372162      32.88637 
1 1 1 -15 5  20 o 158.018 17.093 5.4280  1.1256 5.5558  1.7981  5.3457  1.4434 156.639 28.141 155.326 22.606 1.312592       36.09650 
1 1 1 -15 5  21 o 139.440 16.891 4.2433  0.9771 3.2450  1.5372  4.9200  1.2656 118.427 30.474 149.311 20.561 -30.88339      36.76165 
1 1 1 -15 5  22 o 169.437 15.341 6.2204  1.0889 7.6162  1.6927  5.2351  1.4222 185.585 21.963 153.231 22.594 32.35468       31.51009 
1 1 1 -15 5  23 o 200.577 19.441 8.8228  1.6306 10.302  1.9631  5.5303  2.9285 215.981 21.759 149.389 43.589 66.59206       48.71759 
1 1 1 -15 5  24 o 143.811 22.070 4.6300  1.3012 4.4423  1.6062  4.9884  2.2194 138.573 28.327 143.905 36.394 -5.331909      46.11879 
1 1 1 -15 6  1  o 710.371 19.429 107.971 5.8450 106.339 7.0594  111.528 10.423 703.204 23.705 714.081 34.467 -10.87640      41.83177 
1 1 1 -15 6  2  o 435.781 23.660 40.929  4.3501 0.0000  0.0000  40.929  4.3501 ?       ?      435.781 23.660 0.000000       23.66031 
1 1 1 -15 6  3  o 291.936 19.395 18.302  2.3843 18.342  2.9016  18.218  4.1837 291.255 23.730 286.786 35.185 4.468384       42.43982 
1 1 1 -15 6  4  o 482.850 16.229 49.703  3.3186 48.509  4.5971  51.002  4.7955 475.446 22.832 487.396 23.233 -11.95013      32.57391 
1 1 1 -15 6  5  o 498.490 16.203 52.972  3.4205 51.030  4.7074  55.146  4.9786 487.663 22.794 506.831 23.195 -19.16830      32.52050 
1 1 1 -15 6  6  o 273.362 19.692 16.062  2.2644 13.262  3.6454  17.821  2.8895 243.726 36.436 287.021 23.992 -43.29430      43.62601 
1 1 1 -15 6  7  o 727.310 33.628 115.312 10.358 0.0000  0.0000  115.312 10.358 ?       ?      727.310 33.628 0.000000       33.62845 
1 1 1 -15 6  8  o 644.536 22.471 89.141  6.1337 84.344  8.3056  94.896  9.0970 622.203 31.625 660.258 32.534 -38.05469      45.37181 
1 1 1 -15 6  9  o 190.983 27.499 8.0318  2.1600 0.0000  0.0000  8.0318  2.1600 ?       ?      190.983 27.499 0.000000       27.49939 
1 1 1 -15 6  10 o 561.042 17.996 67.251  4.2757 67.283  6.9187  67.231  5.4385 556.291 29.473 559.394 22.957 -3.103333      37.35926 
1 1 1 -15 6  11 o 436.891 21.200 40.940  3.9223 37.091  5.2167  45.945  5.9491 412.176 30.094 458.639 30.808 -46.46323      43.06755 
1 1 1 -15 6  12 o 164.471 25.304 5.9653  1.7060 4.3444  2.2259  8.2726  2.6558 138.018 37.228 191.791 33.940 -53.77354      50.37714 
1 1 1 -15 6  13 o 356.300 17.472 27.142  2.6363 22.766  4.0666  30.315  3.4624 321.973 30.177 374.909 21.903 -52.93594      37.28770 
1 1 1 -15 6  14 o 673.019 17.607 96.921  5.0183 97.900  7.8733  96.252  6.5127 671.270 27.696 668.226 23.014 3.043884       36.00969 
1 1 1 -15 6  15 o 122.377 28.773 3.3937  1.4661 3.3187  1.8734  3.5122  2.3549 120.945 34.741 125.359 39.625 -4.413536      52.69786 
1 1 1 -15 6  16 o 246.832 17.895 13.135  1.8579 14.938  2.8979  11.876  2.4209 260.631 26.629 232.666 24.960 27.96465       36.49804 
1 1 1 -15 6  17 o 159.938 19.689 5.5879  1.3054 4.7078  2.0448  6.1933  1.6960 142.743 34.261 167.125 24.708 -24.38158      42.24086 
1 1 1 -15 6  18 o 175.453 24.659 6.8252  1.7816 0.0000  0.0000  6.8252  1.7816 ?       ?      175.453 24.659 0.000000       24.65896 
1 1 1 -15 6  19 o 181.992 21.878 7.2759  1.6524 9.5334  2.4171  5.2953  2.2640 206.370 28.410 150.537 35.999 55.83328       45.85915 
1 1 1 -15 6  20 o 163.122 16.972 5.7797  1.1553 6.4052  1.8117  5.3510  1.4998 169.105 26.141 155.081 23.580 14.02397       35.20429 
1 1 1 -15 6  21 o 104.585 18.169 2.4255  0.7755 1.0887  1.2726  3.2152  0.9781 77.886  28.934 120.342 19.887 -42.45571      35.10943 
1 1 1 -15 6  22 o 164.405 15.642 5.8660  1.0759 6.5417  1.6435  5.3593  1.4233 171.327 23.252 155.125 22.308 16.20206       32.22279 
1 1 1 -15 6  23 o 563.639 18.573 68.938  4.4332 75.330  5.4231  56.063  7.6969 586.482 21.835 489.490 37.414 96.99222       43.31910 
1 1 1 -15 6  24 o 89.540  25.173 1.8302  0.9943 1.1030  1.2586  3.0380  1.6219 77.434  28.772 113.697 32.216 -36.26270      43.19336 
1 1 1 -15 7  1  o 757.413 24.123 123.486 7.7376 122.037 10.683  125.085 11.222 747.140 33.763 755.470 35.077 -8.330383      48.68586 
1 1 1 -15 7  2  o 267.062 24.925 15.485  2.7864 0.0000  0.0000  15.485  2.7864 ?       ?      267.062 24.925 0.000000       24.92540 
1 1 1 -15 7  3  o 448.543 23.033 43.314  4.3605 43.952  6.0829  42.640  6.2539 448.339 32.253 440.907 33.750 7.431976       46.68327 
1 1 1 -15 7  4  o 278.803 19.536 16.703  2.2920 17.562  3.8052  16.214  2.8714 282.424 32.402 273.375 25.082 9.049011       40.97512 
1 1 1 -15 7  5  o 181.969 22.676 7.2109  1.7095 11.917  2.9457  4.8212  2.0992 232.528 30.662 145.821 34.527 86.70627       46.17602 
1 1 1 -15 7  6  o 369.159 18.778 29.197  2.9260 33.270  4.8580  26.878  3.6655 390.882 29.566 352.640 24.701 38.24252       38.52626 
1 1 1 -15 7  7  o 242.117 25.812 12.767  2.6058 0.0000  0.0000  12.767  2.6058 ?       ?      242.117 25.812 0.000000       25.81240 
1 1 1 -15 7  8  o 250.148 23.623 13.563  2.4729 12.996  3.3583  14.235  3.6550 241.961 33.688 252.963 35.061 -11.00186      48.62256 
1 1 1 -15 7  9  o 267.514 18.893 15.376  2.1266 12.876  3.3371  17.086  2.7594 240.762 33.649 281.021 23.399 -40.25882      40.98498 
1 1 1 -15 7  10 o 212.097 26.398 9.8532  2.3198 0.0000  0.0000  9.8532  2.3198 ?       ?      212.097 26.398 0.000000       26.39806 
1 1 1 -15 7  11 o 291.860 22.083 18.395  2.7093 18.647  3.6336  18.079  4.0657 291.563 29.849 285.474 34.317 6.089325       45.48220 
1 1 1 -15 7  12 o 420.853 17.708 37.866  3.1561 36.464  5.0007  38.794  4.0688 408.740 29.079 424.088 22.738 -15.34814      36.91373 
1 1 1 -15 7  13 o 362.914 17.478 28.166  2.6862 27.344  4.1072  28.780  3.5510 353.993 27.616 364.818 23.103 -10.82462      36.00538 
1 1 1 -15 7  14 o 679.488 17.631 98.825  5.0734 97.977  7.9595  99.405  6.5844 671.102 28.006 678.980 22.899 -7.877991      36.17603 
1 1 1 -15 7  15 o 82.695  28.713 1.3593  1.2294 -0.3869 1.5661  4.1632  1.9846 65.502  28.895 134.667 34.610 -69.16455      45.08651 
1 1 1 -15 7  16 o 457.563 16.827 44.856  3.2607 44.622  5.0406  45.024  4.2759 451.797 26.460 456.484 22.118 -4.686920      34.48706 
1 1 1 -15 7  17 o 241.153 17.776 12.555  1.8026 13.768  2.8134  11.710  2.3477 249.582 27.051 230.897 24.378 18.68488       36.41476 
1 1 1 -15 7  18 o 117.869 28.163 3.1702  1.3866 0.0000  0.0000  3.1702  1.3866 ?       ?      117.869 28.163 0.000000       28.16305 
1 1 1 -15 7  19 o 462.278 18.416 46.028  3.6053 43.194  4.7528  49.868  5.5331 443.806 25.393 475.497 27.596 -31.69122      37.50155 
1 1 1 -15 7  20 o 231.141 15.936 11.521  1.5504 12.264  2.3178  10.919  2.0858 236.087 23.495 223.042 22.384 13.04462       32.45039 
1 1 1 -15 7  21 o 149.513 16.293 4.8635  1.0149 3.7839  1.5957  5.5969  1.3153 127.855 29.990 159.532 19.901 -31.67774      35.99218 
1 1 1 -15 7  22 o 172.372 15.980 6.4516  1.1532 8.8029  1.8105  4.8463  1.4960 199.656 21.765 146.417 25.025 53.23833       33.16595 
1 1 1 -15 7  23 o 144.092 21.733 4.6370  1.2850 4.3969  1.5917  5.0863  2.1775 137.980 28.192 145.761 35.586 -7.781235      45.39934 
1 1 1 -15 7  24 o 140.835 22.415 4.4527  1.2921 3.4920  1.6490  5.9804  2.0794 121.667 31.690 159.748 31.855 -38.08089      44.93288 
1 1 1 -15 8  1  o 417.980 24.289 37.755  4.2808 42.237  5.8875  32.728  6.2353 439.053 31.882 382.964 38.991 56.08942       50.36590 
1 1 1 -15 8  2  o 195.051 29.621 8.4265  2.3698 0.0000  0.0000  8.4265  2.3698 ?       ?      195.051 29.621 0.000000       29.62078 
1 1 1 -15 8  3  o 307.987 24.055 20.522  3.1126 20.931  4.3781  20.104  4.4261 307.803 34.163 301.153 35.379 6.650635       49.18136 
1 1 1 -15 8  4  o 229.123 20.698 11.333  1.9866 13.145  3.2743  10.277  2.4992 243.734 32.534 216.368 27.927 27.36662       42.87623 
1 1 1 -15 8  5  o 218.411 20.603 10.303  1.8832 9.8188  3.1874  10.563  2.3341 208.607 37.456 220.041 25.522 -11.43353      45.32477 
1 1 1 -15 8  6  o 568.193 18.527 68.992  4.4581 75.133  7.3657  65.441  5.6004 588.058 29.673 551.682 23.971 36.37585       38.14534 
1 1 1 -15 8  7  o 552.169 23.161 65.499  5.4159 0.0000  0.0000  65.499  5.4159 ?       ?      552.169 23.161 0.000000       23.16070 
1 1 1 -15 8  8  o 602.367 22.120 77.867  5.6429 83.688  7.5833  70.645  8.4468 621.606 28.807 566.937 35.357 54.66901       45.60703 
1 1 1 -15 8  9  o 639.169 18.255 87.318  4.9413 86.192  7.9517  88.026  6.3069 630.175 29.796 639.898 23.273 -9.722900      37.80794 
1 1 1 -15 8  10 o 183.096 29.049 7.4367  2.1772 0.0000  0.0000  7.4367  2.1772 ?       ?      183.096 29.049 0.000000       29.04880 
1 1 1 -15 8  11 o 244.845 23.009 13.004  2.3578 11.296  3.1743  15.106  3.5215 224.679 34.460 261.146 32.549 -36.46683      47.40188 
1 1 1 -15 8  12 o 289.376 18.556 17.995  2.2620 12.774  3.5201  21.668  2.9522 238.451 35.978 316.706 22.151 -78.25504      42.24974 
1 1 1 -15 8  13 o 247.684 18.652 13.213  1.9421 13.579  3.0146  12.953  2.5392 248.150 29.248 243.609 24.965 4.540329       38.45403 
1 1 1 -15 8  14 o 274.206 18.052 16.175  2.0846 15.619  3.1764  16.596  2.7628 266.298 28.614 276.172 23.857 -9.874634      37.25493 
1 1 1 -15 8  15 o 139.500 27.287 4.3760  1.5543 4.8659  1.9978  3.6248  2.4738 145.786 33.114 127.208 40.656 18.57791       52.43461 
1 1 1 -15 8  16 o 371.261 17.204 29.556  2.7049 35.861  4.1601  24.938  3.5602 405.750 24.322 337.815 25.064 67.93469       34.92567 
1 1 1 -15 8  17 o 333.936 17.184 23.996  2.4219 24.838  3.7251  23.378  3.1875 336.191 26.376 327.491 23.132 8.700531       35.08240 
1 1 1 -15 8  18 o 276.962 17.817 16.559  2.0787 19.960  3.2946  14.309  2.6794 301.044 26.100 254.932 25.145 46.11172       36.24253 
1 1 1 -15 8  19 o 277.665 30.063 17.251  3.4786 0.0000  0.0000  17.251  3.4786 ?       ?      277.665 30.063 0.000000       30.06294 
1 1 1 -15 8  20 o 257.208 17.625 14.313  1.9082 13.283  2.4639  15.856  3.0163 245.510 24.005 267.080 27.041 -21.57043      36.15874 
1 1 1 -15 8  21 o 323.745 14.976 22.503  2.0532 23.759  3.0185  21.421  2.8010 329.503 21.754 313.035 21.255 16.46780       30.41382 
1 1 1 -15 8  22 o 136.406 15.765 4.0576  0.8939 4.9647  1.5402  3.5970  1.0977 148.014 25.492 126.837 21.183 21.17685       33.14433 
1 1 1 -15 8  23 o 234.318 19.376 12.021  1.9054 13.533  2.3599  9.1879  3.2297 247.201 22.799 194.150 40.587 53.05104       46.55202 
1 1 1 -15 8  24 o 246.445 19.613 13.310  2.0300 16.038  2.5598  8.6877  3.3323 269.185 22.666 186.904 42.996 82.28127       48.60406 
1 1 1 -15 9  1  o 527.911 23.695 60.023  5.2973 58.736  7.2078  61.533  7.8116 517.161 33.084 528.188 35.123 -11.02710      48.25118 
1 1 1 -15 9  2  o 434.960 19.163 40.489  3.5299 40.252  5.8542  40.624  4.4247 428.338 32.516 433.688 24.188 -5.349548      40.52534 
1 1 1 -15 9  3  o 168.944 29.334 6.3558  2.0226 0.0000  0.0000  6.3558  2.0226 ?       ?      168.944 29.334 0.000000       29.33450 
1 1 1 -15 9  4  o 610.237 22.720 79.985  5.8716 84.343  8.1025  75.166  8.5206 623.000 30.711 585.246 34.532 37.75464       46.21243 
1 1 1 -15 9  5  o 246.085 24.499 13.157  2.5192 11.379  3.3931  15.341  3.7605 225.030 36.883 262.818 34.630 -37.78793      50.59280 
1 1 1 -15 9  6  o 393.120 18.486 33.032  3.0777 32.327  5.0774  33.442  3.8696 384.330 31.471 393.812 23.306 -9.482117      39.16137 
1 1 1 -15 9  7  o 178.499 22.194 6.9396  1.6415 5.5891  2.5816  7.8562  2.1268 156.204 39.113 188.820 27.397 -32.61626      47.75397 
1 1 1 -15 9  8  o 177.053 36.955 7.1278  2.6813 7.1278  2.6813  0.0000  0.0000 177.053 36.955 ?       ?      0.000000       36.95454 
1 1 1 -15 9  9  o 337.283 18.352 24.393  2.6114 22.840  4.1763  25.389  3.3464 322.638 30.945 342.869 23.182 -20.23114      38.66539 
1 1 1 -15 9  10 o 271.672 19.049 15.872  2.1777 14.689  3.4614  16.647  2.8017 257.532 32.459 277.001 24.124 -19.46942      40.44164 
1 1 1 -15 9  11 o 623.165 23.273 83.612  6.1418 0.0000  0.0000  83.612  6.1418 ?       ?      623.165 23.273 0.000000       23.27283 
1 1 1 -15 9  12 o 252.022 22.308 13.768  2.3563 10.746  3.0833  18.012  3.6533 218.756 34.419 285.825 30.661 -67.06921      46.09509 
1 1 1 -15 9  13 o 312.580 18.063 20.990  2.3809 20.374  3.6742  21.436  3.1260 304.600 28.826 314.304 23.659 -9.703644      37.29171 
1 1 1 -15 9  14 o 545.618 17.537 63.762  4.0521 69.271  6.2708  59.812  5.3095 564.747 26.220 525.920 23.839 38.82678       35.43683 
1 1 1 -15 9  15 f 415.871 20.780 37.264  3.6597 35.066  4.6611  40.798  5.9096 399.888 27.694 428.572 32.810 -28.68442      42.93519 
1 1 1 -15 9  16 o 302.020 17.542 19.640  2.2340 15.793  3.3756  22.638  2.9800 266.181 30.496 322.872 21.924 -56.69168      37.55894 
1 1 1 -15 9  17 o 363.639 17.149 28.389  2.6409 27.914  3.9760  28.765  3.5327 356.307 26.540 363.345 23.078 -7.037872      35.17069 
1 1 1 -15 9  18 o 413.074 16.885 36.641  2.9537 40.479  4.5203  33.781  3.9019 429.997 24.930 393.414 23.528 36.58319       34.27935 
1 1 1 -15 9  19 o 156.273 33.810 5.6643  2.1725 0.0000  0.0000  5.6643  2.1725 ?       ?      156.273 33.810 0.000000       33.80985 
1 1 1 -15 9  20 o 256.158 21.921 14.370  2.3551 0.0000  0.0000  14.370  2.3551 ?       ?      256.158 21.921 0.000000       21.92121 
1 1 1 -15 9  21 o 259.460 17.790 14.607  1.9430 16.509  2.5571  12.009  2.9887 274.110 22.220 229.193 31.635 44.91733       38.65845 
1 1 1 -15 9  22 o 369.202 12.884 29.200  2.0144 32.658  3.4324  27.383  2.4880 386.221 21.065 356.222 16.492 29.99918       26.75321 
1 1 1 -15 9  23 o 78.368  26.781 1.2876  1.0679 2.8242  1.3880  -0.9409 1.6716 110.060 29.272 61.965  28.356 48.09482       40.75428 
1 1 1 -15 9  24 o 96.211  26.988 2.1308  1.1443 4.0338  1.4867  -0.6346 1.7922 132.129 27.466 66.966  30.131 65.16283       40.77046 
1 1 1 -15 10 1  o 98.345  35.767 1.7977  1.9280 4.0293  2.5849  -1.0007 2.8946 133.934 41.388 86.295  38.600 47.63890       56.59452 
1 1 1 -15 10 2  o 573.620 18.997 70.436  4.6148 68.487  7.5913  71.578  5.8120 559.148 32.195 576.473 23.807 -17.32562      40.04095 
1 1 1 -15 10 3  o 636.314 23.845 87.164  6.4256 0.0000  0.0000  87.164  6.4256 ?       ?      636.314 23.845 0.000000       23.84508 
1 1 1 -15 10 4  o 446.005 22.599 42.845  4.2545 41.483  5.7501  44.492  6.3245 435.446 31.392 450.084 33.419 -14.63803      45.85104 
1 1 1 -15 10 5  o 295.280 24.026 18.884  2.9784 18.148  3.9142  19.896  4.5903 286.683 32.832 298.718 37.083 -12.03510      49.52884 
1 1 1 -15 10 6  o 124.675 27.236 3.4863  1.3978 0.2246  2.0800  6.1722  1.8875 82.271  34.752 166.843 27.684 -84.57196      44.43115 
1 1 1 -15 10 7  o 211.990 20.709 9.7211  1.8354 8.1115  2.8765  10.826  2.3837 189.013 37.260 222.607 25.762 -33.59393      45.29871 
1 1 1 -15 10 8  o 202.100 33.808 9.1524  2.7913 9.1524  2.7913  0.0000  0.0000 202.100 33.808 ?       ?      0.000000       33.80796 
1 1 1 -15 10 9  o 101.772 33.827 2.1714  1.7039 2.8691  2.2868  1.3006  2.5549 116.626 39.194 100.555 40.016 16.07115       56.01313 
1 1 1 -15 10 10 o 238.941 19.572 12.311  1.9632 10.850  3.2076  13.185  2.4824 219.596 35.720 246.225 24.116 -26.62885      43.09833 
1 1 1 -15 10 11 o 422.672 23.246 38.595  4.1450 0.0000  0.0000  38.595  4.1450 ?       ?      422.672 23.246 0.000000       23.24625 
1 1 1 -15 10 12 o 674.951 21.249 97.932  6.0736 95.799  7.9947  100.844 9.3401 663.624 28.447 678.111 32.524 -14.48663      43.20947 
1 1 1 -15 10 13 o 504.944 17.556 54.589  3.7542 52.480  5.7699  56.136  4.9439 490.275 27.905 510.095 22.886 -19.81952      36.08987 
1 1 1 -15 10 14 o 123.789 25.002 3.4359  1.2656 3.5822  1.8356  3.3033  1.7473 125.171 33.824 120.416 33.195 4.755692       47.39201 
1 1 1 -15 10 15 o 418.460 20.732 37.751  3.6740 41.424  4.6927  31.933  5.9056 435.660 25.547 375.755 37.618 59.90536       45.47215 
1 1 1 -15 10 16 o 200.945 19.429 8.7729  1.6328 10.166  2.4783  7.7042  2.1704 213.705 28.062 185.436 28.554 28.26886       40.03509 
1 1 1 -15 10 17 o 247.171 18.583 13.222  1.9310 12.754  3.1027  13.518  2.4669 238.011 31.561 248.268 23.753 -10.25710      39.50088 
1 1 1 -15 10 18 o 332.349 16.946 23.786  2.3772 25.676  3.6831  22.437  3.1124 341.734 25.636 320.469 23.088 21.26559       34.50004 
1 1 1 -15 10 19 o 297.327 15.926 19.025  1.9980 18.807  2.9238  19.217  2.7367 292.737 23.790 296.704 21.936 -3.966705      32.35972 
1 1 1 -15 10 20 o 171.087 23.805 6.5138  1.6780 0.0000  0.0000  6.5138  1.6780 ?       ?      171.087 23.805 0.000000       23.80485 
1 1 1 -15 10 21 o 171.815 18.049 6.4498  1.2937 9.7222  2.0019  4.1032  1.6952 209.568 22.930 132.713 30.763 76.85483       38.36850 
1 1 1 -15 10 22 o 334.510 17.378 24.268  2.4533 28.729  3.2359  18.236  3.7624 361.992 21.201 281.827 32.096 80.16452       38.46615 
1 1 1 -15 10 23 o 75.078  26.324 1.1425  1.0346 0.6854  1.2607  2.0851  1.8105 70.877  28.140 98.739  34.808 -27.86285      44.75943 
1 1 1 -15 10 24 o 135.866 24.175 4.1889  1.3400 5.5928  1.7340  2.1076  2.1114 156.264 27.190 101.440 37.347 54.82463       46.19618 
1 1 1 -15 11 1  o 103.033 36.484 2.0912  1.9913 6.2715  3.0528  -1.0045 2.6271 164.103 43.299 81.627  36.623 82.47629       56.71039 
1 1 1 -15 11 2  o 637.574 19.133 87.075  5.1662 88.164  8.4786  86.432  6.5153 635.329 31.512 632.987 24.305 2.341675       39.79656 
1 1 1 -15 11 3  o 469.986 24.120 47.724  4.7846 0.0000  0.0000  47.724  4.7846 ?       ?      469.986 24.120 0.000000       24.12025 
1 1 1 -15 11 4  o 149.238 31.177 5.0221  1.9069 5.2103  2.5302  4.7747  2.9012 150.662 39.260 144.946 43.664 5.715500       58.71884 
1 1 1 -15 11 5  o 494.611 22.365 52.570  4.6846 44.484  6.2228  63.145  7.1167 450.110 32.873 537.446 31.405 -87.33698      45.46305 
1 1 1 -15 11 6  o 248.841 19.812 13.345  2.0705 17.626  3.3100  10.593  2.6539 283.994 27.881 219.100 29.339 64.89333       40.47346 
1 1 1 -15 11 7  o 217.387 20.956 10.227  1.9054 10.441  2.9550  10.075  2.4927 216.238 33.340 213.897 28.207 2.341812       43.67157 
1 1 1 -15 11 8  o 284.579 32.228 17.890  3.8156 17.890  3.8156  0.0000  0.0000 284.579 32.228 ?       ?      0.000000       32.22843 
1 1 1 -15 11 9  o 207.266 21.167 9.3144  1.8318 9.5491  2.9015  9.1589  2.3621 206.120 34.457 203.715 28.131 2.404144       44.48138 
1 1 1 -15 11 10 o 533.580 18.011 60.912  4.0698 60.585  6.4323  61.131  5.2555 527.152 28.924 532.694 23.296 -5.542358      37.13888 
1 1 1 -15 11 11 o 157.527 24.014 5.4700  1.5513 6.7282  2.4408  4.6173  2.0094 172.031 34.700 142.252 33.847 29.77921       48.47350 
1 1 1 -15 11 12 o 405.862 23.254 35.654  3.9802 0.0000  0.0000  35.654  3.9802 ?       ?      405.862 23.254 0.000000       23.25410 
1 1 1 -15 11 13 o 655.112 20.995 92.386  5.8247 86.918  7.6060  100.140 9.0575 631.124 28.458 675.036 31.684 -43.91199      42.58754 
1 1 1 -15 11 14 o 83.298  27.644 1.4502  1.1381 0.7254  1.6526  2.1041  1.5696 79.629  32.014 99.033  32.445 -19.40441      45.58059 
1 1 1 -15 11 15 o 216.789 23.337 10.296  2.1088 9.7472  2.6990  11.157  3.3787 208.008 31.636 220.329 37.557 -12.32187      49.10577 
1 1 1 -15 11 16 o 178.412 19.781 6.9423  1.4694 6.4200  2.3603  7.2729  1.8777 166.819 34.547 181.098 25.164 -14.27870      42.73976 
1 1 1 -15 11 17 o 307.634 17.653 20.409  2.2902 20.793  3.6349  20.157  2.9492 306.227 28.351 303.776 23.098 2.451355       36.56862 
1 1 1 -15 11 18 o 123.486 21.702 3.3972  1.0935 2.4076  1.6461  4.1787  1.4629 104.094 33.153 135.957 26.360 -31.86254      42.35505 
1 1 1 -15 11 19 f 294.863 15.918 18.719  1.9804 18.583  2.8339  18.849  2.7685 291.125 23.178 293.522 22.442 -2.397247      32.26288 
1 1 1 -15 11 20 f 257.401 15.854 14.296  1.7198 14.621  2.4647  13.988  2.4010 257.793 22.812 252.146 22.729 5.647385       32.20230 
1 1 1 -15 11 21 o 506.900 21.771 56.157  4.6735 0.0000  0.0000  56.157  4.6735 ?       ?      506.900 21.771 0.000000       21.77080 
1 1 1 -15 11 22 o 115.566 16.685 2.9409  0.7929 2.4302  1.5593  3.1190  0.9209 102.980 32.199 118.451 19.001 -15.47100      37.38670 
1 1 1 -15 11 23 o 337.048 23.606 25.178  3.3481 25.178  3.3481  0.0000  0.0000 337.048 23.606 ?       ?      0.000000       23.60560 
1 1 1 -15 12 1  o 244.850 21.926 13.003  2.2495 14.085  3.7405  12.390  2.8156 250.001 36.398 236.992 28.634 13.00943       46.31152 
1 1 1 -15 12 2  o 524.835 22.883 59.341  5.0861 57.128  6.8800  62.007  7.5525 509.898 32.024 530.210 33.812 -20.31235      46.56988 
1 1 1 -15 12 3  o 340.205 25.345 25.143  3.6253 0.0000  0.0000  25.143  3.6253 ?       ?      340.205 25.345 0.000000       25.34454 
1 1 1 -15 12 4  o 141.465 33.506 4.5539  1.9764 0.0000  0.0000  4.5539  1.9764 ?       ?      141.465 33.506 0.000000       33.50647 
1 1 1 -15 12 5  o 235.208 33.337 12.329  3.2277 12.329  3.2277  0.0000  0.0000 235.208 33.337 ?       ?      0.000000       33.33652 
1 1 1 -15 12 6  o 372.507 18.546 29.694  2.9257 25.386  4.6104  32.598  3.7855 339.372 32.476 388.523 23.111 -49.15088      39.85989 
1 1 1 -15 12 7  o 845.907 18.910 153.201 6.7742 144.669 10.886  158.593 8.6538 814.045 31.578 857.901 23.819 -43.85596      39.55378 
1 1 1 -15 12 8  o 849.858 34.248 158.602 12.326 0.0000  0.0000  158.602 12.326 ?       ?      849.858 34.248 0.000000       34.24840 
1 1 1 -15 12 9  o 278.914 23.186 16.868  2.7138 18.623  3.6296  14.642  4.0868 290.998 29.877 254.200 39.226 36.79716       49.30798 
1 1 1 -15 12 10 o 109.368 29.642 2.6940  1.4072 4.2761  2.0908  1.3838  1.9027 136.719 35.718 92.346  35.145 44.37231       50.10949 
1 1 1 -15 12 11 o 127.665 27.215 3.6678  1.4264 3.7228  2.1926  3.6275  1.8782 128.112 37.813 126.190 34.264 1.921974       51.02770 
1 1 1 -15 12 12 o 417.949 23.321 37.843  4.1113 0.0000  0.0000  37.843  4.1113 ?       ?      417.949 23.321 0.000000       23.32114 
1 1 1 -15 12 13 o 543.579 20.936 63.649  4.8194 65.235  6.2732  61.366  7.5284 547.187 27.072 525.519 34.010 21.66809       43.46887 
1 1 1 -15 12 14 o 228.727 29.820 11.664  2.8197 11.664  2.8197  0.0000  0.0000 228.727 29.820 ?       ?      0.000000       29.81971 
1 1 1 -15 12 15 o 634.443 20.792 86.900  5.5863 98.487  7.3608  71.162  8.5788 671.890 25.869 562.293 36.219 109.5967       44.50889 
1 1 1 -15 12 16 o 381.624 17.182 31.275  2.7768 35.458  4.3216  28.334  3.6238 402.249 25.501 360.169 23.894 42.07993       34.94601 
1 1 1 -15 12 17 o 637.455 17.053 87.297  4.6035 91.287  7.0747  84.366  6.0624 645.857 25.866 623.025 22.977 22.83209       34.59768 
1 1 1 -15 12 18 o 212.152 17.211 9.7397  1.5329 8.5003  2.2052  10.899  2.1324 194.833 27.491 222.722 22.936 -27.88960      35.80247 
1 1 1 -15 12 19 o 551.997 15.958 65.456  3.7304 64.578  5.4084  66.252  5.1522 543.767 23.486 551.767 22.049 -7.999939      32.21447 
1 1 1 -15 12 20 o 130.670 20.391 3.7915  1.0916 4.9484  1.5988  2.7814  1.4939 147.632 26.549 109.671 30.863 37.96081       40.71079 
1 1 1 -15 12 21 o 336.974 15.536 24.450  2.2171 22.847  3.2203  25.894  3.0569 321.382 23.831 343.802 21.097 -22.41977      31.82785 
1 1 1 -15 12 22 o 219.474 22.155 10.666  2.0311 0.0000  0.0000  10.666  2.0311 ?       ?      219.474 22.155 0.000000       22.15543 
1 1 1 -15 12 23 o 222.492 33.686 11.577  3.0747 0.0000  0.0000  11.577  3.0747 ?       ?      222.492 33.686 0.000000       33.68604 
1 1 1 -15 13 1  o 275.438 21.404 16.423  2.4771 16.694  4.1403  16.272  3.0913 272.084 36.883 272.366 27.163 -0.2819519     45.80627 
1 1 1 -15 13 2  o 286.995 25.473 17.966  3.0638 20.314  4.2438  15.411  4.4277 302.128 33.744 259.321 41.734 42.80740       53.66914 
1 1 1 -15 13 3  o 268.783 20.140 15.590  2.2758 9.8533  3.5595  19.557  2.9597 206.341 42.159 300.259 23.462 -93.91801      48.24767 
1 1 1 -15 13 4  o 434.322 23.791 40.806  4.3592 0.0000  0.0000  40.806  4.3592 ?       ?      434.322 23.791 0.000000       23.79057 
1 1 1 -15 13 5  o 193.771 27.292 8.2902  2.1775 7.6613  2.8370  9.1920  3.3971 182.949 37.865 199.542 41.550 -16.59315      56.21548 
1 1 1 -15 13 6  o 199.953 21.752 8.6921  1.8123 7.0409  2.8926  9.7591  2.3252 174.669 39.969 210.714 26.653 -36.04579      48.04065 
1 1 1 -15 13 7  o 254.114 20.387 13.944  2.1755 12.848  3.4987  14.634  2.7778 239.148 35.634 258.938 25.669 -19.79002      43.91720 
1 1 1 -15 13 8  o 294.136 35.702 19.332  4.3560 0.0000  0.0000  19.332  4.3560 ?       ?      294.136 35.702 0.000000       35.70158 
1 1 1 -15 13 9  o 255.357 23.324 14.173  2.4944 11.471  3.2898  17.827  3.8259 225.545 35.625 283.475 32.455 -57.93019      48.19190 
1 1 1 -15 13 10 o 232.797 20.144 11.723  1.9664 11.963  3.0182  11.545  2.5920 231.758 31.573 229.034 27.259 2.723938       41.71212 
1 1 1 -15 13 11 o 473.967 17.649 48.115  3.5426 51.976  5.4899  45.360  4.6372 488.407 26.643 457.397 24.024 31.01028       35.87479 
1 1 1 -15 13 12 o 286.433 18.351 17.670  2.2143 14.433  3.3514  20.177  2.9499 254.380 31.805 304.738 23.028 -50.35744      39.26628 
1 1 1 -15 13 13 o 146.321 32.380 4.9001  1.9534 0.0000  0.0000  4.9001  1.9534 ?       ?      146.321 32.380 0.000000       32.38036 
1 1 1 -15 13 14 o 296.996 21.982 19.173  2.7452 19.268  3.5096  19.025  4.4063 295.209 28.424 289.323 36.794 5.886383       46.49443 
1 1 1 -15 13 15 o 293.378 18.099 18.572  2.2377 18.070  3.4200  18.948  2.9589 285.401 28.684 294.307 23.948 -8.905151      37.36729 
1 1 1 -15 13 16 o 307.709 21.769 20.610  2.8184 21.350  3.7884  19.694  4.2176 309.903 29.211 294.872 34.423 15.03152       45.14632 
1 1 1 -15 13 17 o 459.023 16.599 45.246  3.2267 37.636  4.8585  51.252  4.3160 412.554 27.974 486.531 20.947 -73.97720      34.94734 
1 1 1 -15 13 18 o 344.969 16.130 25.555  2.3564 24.956  3.4064  26.106  3.2632 337.278 24.005 345.765 22.406 -8.487305      32.83727 
1 1 1 -15 13 19 o 359.985 18.554 28.072  2.8189 27.245  3.5042  29.588  4.7452 352.179 23.632 362.329 31.230 -10.15024      39.16373 
1 1 1 -15 13 20 o 120.877 19.391 3.2437  0.9591 2.5558  1.5002  3.7193  1.2473 105.406 31.319 128.294 23.834 -22.88776      39.35697 
1 1 1 -15 13 21 o 204.573 16.940 9.1022  1.4544 9.1822  2.2101  9.0410  1.9315 201.747 26.510 201.669 23.028 0.7890320E-01  35.11522 
1 1 1 -15 13 22 o 186.056 17.777 7.5683  1.3836 9.4448  2.1318  6.2024  1.8188 205.073 25.068 164.870 26.983 40.20313       36.83039 
1 1 1 -15 13 23 o 69.307  29.605 0.1461  1.5387 0.0000  0.0000  0.1461  1.5387 ?       ?      69.307  29.605 0.000000       29.60543 
1 1 1 -15 14 1  o 197.953 23.828 8.5876  1.9574 10.089  3.2610  7.7423  2.4473 209.857 38.096 185.205 32.381 24.65245       49.99868 
1 1 1 -15 14 2  o 395.098 23.606 33.841  3.9317 33.233  5.3689  34.545  5.7736 387.246 33.055 393.831 34.981 -6.584686      48.12806 
1 1 1 -15 14 3  o 169.902 24.713 6.3668  1.7260 6.2804  2.7722  6.4216  2.2057 164.440 40.155 168.535 32.076 -4.095093      51.39393 
1 1 1 -15 14 4  o 326.520 24.655 23.177  3.3841 0.0000  0.0000  23.177  3.3841 ?       ?      326.520 24.655 0.000000       24.65459 
1 1 1 -15 14 5  o 232.793 20.919 11.738  2.0403 7.1102  3.0456  15.506  2.7481 174.804 41.720 266.770 24.602 -91.96521      48.43405 
1 1 1 -15 14 6  o 245.801 25.272 13.202  2.5932 16.513  3.5514  9.4199  3.7955 273.108 31.270 200.273 45.753 72.83551       55.41777 
1 1 1 -15 14 7  o 697.906 18.291 104.331 5.4061 95.093  8.6463  110.261 6.9272 659.279 30.968 715.160 22.872 -55.88086      38.49889 
1 1 1 -15 14 8  o 651.184 33.596 93.570  9.2332 0.0000  0.0000  93.570  9.2332 ?       ?      651.184 33.596 0.000000       33.59610 
1 1 1 -15 14 9  o 216.783 24.619 10.289  2.2201 7.3327  2.9015  14.466  3.4482 177.993 39.522 254.662 32.731 -76.66927      51.31532 
1 1 1 -15 14 10 o 299.665 18.601 19.331  2.3489 20.549  3.6435  18.465  3.0727 305.730 28.468 290.862 25.195 14.86829       38.01597 
1 1 1 -15 14 11 o 334.392 18.357 24.057  2.5896 26.413  4.0028  22.362  3.3960 347.127 27.453 320.094 25.257 27.03293       37.30396 
1 1 1 -15 14 12 o 111.909 27.508 2.8394  1.2944 1.1640  1.9509  4.1571  1.7302 89.810  35.210 134.948 30.935 -45.13782      46.86975 
1 1 1 -15 14 13 o 269.062 24.658 15.855  2.7784 0.0000  0.0000  15.855  2.7784 ?       ?      269.062 24.658 0.000000       24.65762 
1 1 1 -15 14 14 o 234.714 25.853 12.155  2.5272 0.0000  0.0000  12.155  2.5272 ?       ?      234.714 25.853 0.000000       25.85344 
1 1 1 -15 14 15 o 221.330 22.930 10.741  2.1181 10.740  2.6902  10.741  3.4356 218.820 29.805 214.687 39.233 4.133057       49.27076 
1 1 1 -15 14 16 o 345.891 20.906 25.978  3.0480 24.246  3.9734  28.455  4.7512 330.532 28.670 356.420 31.811 -25.88876      42.82452 
1 1 1 -15 14 17 o 376.274 16.439 30.407  2.6195 25.541  3.8224  34.715  3.5968 340.006 26.763 399.606 21.331 -59.59943      34.22387 
1 1 1 -15 14 18 f 373.632 18.584 30.137  2.9405 29.956  3.6276  30.483  5.0213 369.843 23.280 367.356 32.616 2.486755       40.07151 
1 1 1 -15 14 19 o 275.402 16.488 16.388  1.9142 16.539  2.7444  16.244  2.6713 273.706 23.917 271.447 23.468 2.258759       33.50768 
1 1 1 -15 14 20 o 92.391  23.756 1.9470  0.9347 2.4675  1.6389  1.6961  1.1379 104.148 33.071 87.370  27.536 16.77779       43.03367 
1 1 1 -15 14 21 o 360.996 13.385 27.959  2.0463 31.111  3.5089  26.335  2.5190 375.985 22.135 348.939 17.047 27.04648       27.93804 
1 1 1 -15 14 22 o 173.184 15.146 6.5093  1.0996 8.2482  2.0675  5.8233  1.2985 190.876 26.274 162.505 19.243 28.37083       32.56687 
1 1 1 -15 14 23 o 195.265 21.421 8.4508  1.7423 6.9523  2.2608  10.642  2.7340 172.159 32.193 214.585 30.983 -42.42577      44.68040 
1 1 1 -15 15 1  o 582.088 19.017 72.759  4.6878 73.060  7.7263  72.583  5.8973 575.341 31.834 578.972 24.052 -3.631592      39.89884 
1 1 1 -15 15 2  o 417.985 23.549 37.893  4.1515 35.665  5.6287  40.551  6.1476 400.660 33.480 426.899 34.294 -26.23871      47.92724 
1 1 1 -15 15 3  f 541.862 18.667 62.987  4.2835 66.214  7.0551  61.103  5.3908 548.933 30.469 531.475 23.951 17.45740       38.75552 
1 1 1 -15 15 4  o 335.858 18.924 24.276  2.6806 20.997  4.2317  26.473  3.4643 307.185 33.049 349.266 23.559 -42.08066      40.58667 
1 1 1 -15 15 5  o 149.769 34.430 5.1389  2.1381 0.0000  0.0000  5.1389  2.1381 ?       ?      149.769 34.430 0.000000       34.43000 
1 1 1 -15 15 6  o 323.361 23.387 22.692  3.1810 24.589  4.2587  20.298  4.7842 333.929 30.449 299.523 38.616 34.40591       49.17705 
1 1 1 -15 15 7  f 399.802 18.151 34.255  3.0732 26.094  4.7972  39.935  4.0023 342.643 33.488 429.926 22.057 -87.28247      40.09931 
1 1 1 -15 15 8  f 470.034 32.966 48.881  6.5205 0.0000  0.0000  48.881  6.5205 ?       ?      470.034 32.966 0.000000       32.96592 
1 1 1 -15 15 9  o 381.280 21.585 31.425  3.4710 34.051  4.5771  27.871  5.3250 394.438 27.574 352.520 36.182 41.91766       45.49149 
1 1 1 -15 15 10 o 131.803 27.012 3.9135  1.4571 7.3255  2.2422  1.4194  1.9170 180.516 30.411 92.657  35.275 87.85980       46.57417 
1 1 1 -15 15 11 o 332.684 18.404 23.833  2.5828 29.812  3.9909  19.525  3.3879 369.399 25.671 298.036 27.140 71.36316       37.35698 
1 1 1 -15 15 12 f 513.483 17.498 56.571  3.8050 62.281  5.9260  52.565  4.9633 534.458 26.182 492.233 23.810 42.22568       35.38945 
1 1 1 -15 15 13 o 457.689 17.503 44.976  3.3925 46.761  5.3148  43.747  4.4071 461.423 27.320 448.470 23.285 12.95374       35.89657 
1 1 1 -15 15 14 o 494.914 22.914 53.167  4.8026 0.0000  0.0000  53.167  4.8026 ?       ?      494.914 22.914 0.000000       22.91398 
1 1 1 -15 15 15 o 186.968 22.523 7.6883  1.7474 8.5938  2.8509  7.1434  2.2116 192.641 36.276 177.437 30.533 15.20407       47.41545 
1 1 1 -15 15 16 o 189.814 37.083 8.3988  2.8740 8.3988  2.8740  0.0000  0.0000 189.814 37.083 ?       ?      0.000000       37.08344 
1 1 1 -15 15 17 o 421.463 16.212 38.153  2.8937 32.714  4.1738  43.186  4.0153 385.389 25.721 446.141 21.252 -60.75211      33.36501 
1 1 1 -15 15 18 o 336.057 16.091 24.280  2.2900 22.478  3.2935  25.966  3.1863 319.333 24.542 344.667 21.944 -25.33429      32.92155 
1 1 1 -15 15 19 o 183.003 16.950 7.2826  1.2987 8.4560  2.0061  6.4361  1.7039 194.536 24.924 169.531 24.439 25.00394       34.90632 
1 1 1 -15 15 20 o 149.141 17.863 4.8804  1.1058 2.2815  1.8057  6.4399  1.3987 101.893 34.825 171.021 19.671 -69.12860      39.99609 
1 1 1 -15 15 21 o 191.039 15.167 7.9086  1.2169 7.3275  2.2243  8.1569  1.4538 177.812 30.645 193.154 17.980 -15.34203      35.53048 
1 1 1 -15 15 22 o 96.821  21.677 2.1332  0.8667 0.6911  1.6022  2.7297  1.0305 76.869  31.299 109.438 22.967 -32.56927      38.82170 
1 1 1 -15 16 1  o 311.186 19.901 20.912  2.6089 18.584  4.4078  22.167  3.2368 286.406 37.220 318.989 24.139 -32.58356      44.36264 
1 1 1 -15 16 2  o 611.066 22.837 80.717  5.9099 88.399  8.0342  71.660  8.7239 634.875 29.882 565.770 36.607 69.10577       47.25460 
1 1 1 -15 16 3  o 341.392 19.361 25.121  2.7877 24.031  4.5858  25.760  3.5108 328.227 33.459 344.016 24.254 -15.78952      41.32469 
1 1 1 -15 16 4  o 421.532 22.899 38.502  4.0725 45.138  5.5366  30.678  6.0115 453.488 28.981 368.057 39.169 85.43085       48.72494 
1 1 1 -15 16 5  o 206.354 28.822 9.4670  2.4500 0.0000  0.0000  9.4670  2.4500 ?       ?      206.354 28.822 0.000000       28.82237 
1 1 1 -15 16 6  o 304.669 19.068 20.007  2.4478 15.945  3.8617  22.735  3.1649 266.157 35.118 323.511 23.256 -57.35434      42.12028 
1 1 1 -15 16 7  o 243.239 24.126 12.929  2.4525 9.1080  3.1770  18.564  3.8579 198.557 39.174 288.780 32.089 -90.22270      50.63860 
1 1 1 -15 16 8  o 276.176 24.678 16.662  2.8559 0.0000  0.0000  16.662  2.8559 ?       ?      276.176 24.678 0.000000       24.67812 
1 1 1 -15 16 9  o 287.984 18.774 17.885  2.2772 21.261  3.6587  15.750  2.9093 310.773 28.104 267.931 25.966 42.84201       38.26340 
1 1 1 -15 16 10 o 119.020 29.073 3.2244  1.4528 6.4422  2.1733  0.6251  1.9534 168.485 31.621 83.559  34.352 84.92557       46.68981 
1 1 1 -15 16 11 o 392.891 17.719 33.133  2.9481 29.990  4.5315  35.440  3.8819 368.485 29.280 403.960 22.785 -35.47501      37.10101 
1 1 1 -15 16 12 o 314.952 17.976 21.379  2.3877 20.376  3.6316  22.142  3.1690 303.422 28.600 318.531 23.661 -15.10867      37.11848 
1 1 1 -15 16 13 o 433.810 17.511 40.429  3.2169 38.652  4.9586  41.721  4.2273 418.609 28.135 437.918 22.873 -19.30930      36.25948 
1 1 1 -15 16 14 o 326.301 17.959 22.969  2.4721 23.252  3.8058  22.762  3.2514 324.118 28.002 322.519 23.977 1.598633       36.86443 
1 1 1 -15 16 15 o 212.169 26.997 10.025  2.3707 0.0000  0.0000  10.025  2.3707 ?       ?      212.169 26.997 0.000000       26.99661 
1 1 1 -15 16 16 o 244.679 18.783 12.987  1.9314 12.165  2.9895  13.576  2.5304 231.973 31.224 248.217 24.387 -16.24437      39.61925 
1 1 1 -15 16 17 o 155.027 24.198 5.3700  1.5367 4.5281  1.8640  7.1568  2.7154 139.621 32.184 173.980 37.924 -34.35922      49.73985 
1 1 1 -15 16 18 o 71.343  25.398 0.9870  0.9662 0.2123  1.4257  1.6450  1.3139 68.213  28.790 87.955  29.708 -19.74242      41.36964 
1 1 1 -15 16 19 o 551.261 14.077 65.220  3.2863 61.589  5.3444  67.427  4.1674 529.117 23.851 558.399 17.623 -29.28162      29.65496 
1 1 1 -15 16 20 o 228.641 17.002 11.363  1.6345 10.789  2.4536  11.821  2.1916 218.503 27.097 230.949 22.701 -12.44608      35.34964 
1 1 1 -15 16 21 o 71.929  23.653 1.1075  0.8339 1.1011  1.5767  1.1100  0.9826 81.894  31.779 73.723  25.666 8.170471       40.84890 
1 1 1 -15 16 22 o 135.814 19.477 4.0960  1.0882 5.4255  1.9253  3.4719  1.3191 152.139 30.936 122.690 26.184 29.44956       40.52951 
1 1 1 -15 17 1  o 252.030 21.667 13.806  2.2901 10.764  3.6169  15.841  2.9586 215.059 41.214 268.507 26.359 -53.44870      48.92195 
1 1 1 -15 17 2  o 415.887 18.778 37.157  3.3073 30.560  5.2826  41.410  4.2413 369.772 34.119 436.913 23.004 -67.14105      41.14934 
1 1 1 -15 17 3  o 540.503 22.133 63.111  5.0662 54.306  6.7509  74.463  7.6651 494.897 32.390 580.650 31.287 -85.75333      45.03312 
1 1 1 -15 17 4  o 369.493 22.907 29.637  3.5668 30.025  4.8079  29.162  5.3191 368.145 31.130 360.545 35.289 7.599915       47.05757 
1 1 1 -15 17 5  o 355.041 18.566 27.138  2.7818 23.928  4.4250  29.236  3.5769 327.859 32.289 366.905 23.139 -39.04593      39.72426 
1 1 1 -15 17 6  o 253.936 25.952 14.164  2.7516 0.0000  0.0000  14.164  2.7516 ?       ?      253.936 25.952 0.000000       25.95198 
1 1 1 -15 17 7  o 89.458  31.559 1.5788  1.4886 3.1092  1.9140  -0.7640 2.3682 117.350 35.492 78.332  34.985 39.01854       49.83555 
1 1 1 -15 17 8  o 108.789 33.376 2.6434  1.6844 0.0000  0.0000  2.6434  1.6844 ?       ?      108.789 33.376 0.000000       33.37637 
1 1 1 -15 17 9  o 250.531 19.301 13.579  2.0320 12.893  3.1478  14.069  2.6606 239.796 31.780 253.207 25.145 -13.41074      40.52437 
1 1 1 -15 17 10 o 317.758 22.000 21.935  2.9422 24.246  3.8977  18.873  4.4858 331.619 28.016 287.651 37.735 43.96793       46.99786 
1 1 1 -15 17 11 o 312.327 18.266 21.039  2.4054 27.017  3.8181  17.106  3.0974 350.988 25.869 278.611 26.574 72.37704       37.08610 
1 1 1 -15 17 12 o 559.418 17.130 67.189  4.0581 60.077  6.2847  72.275  5.3146 521.962 28.540 577.796 21.720 -55.83417      35.86466 
1 1 1 -15 17 13 o 436.937 17.196 41.011  3.1819 44.645  4.9675  38.483  4.1435 451.015 26.120 420.120 23.382 30.89429       35.05641 
1 1 1 -15 17 14 o 220.047 20.369 10.552  1.8766 12.215  3.1398  9.6275  2.3407 231.996 32.878 207.786 27.258 24.21027       42.70823 
1 1 1 -15 17 15 o 743.263 17.601 118.889 5.5401 128.560 8.6563  112.179 7.2103 764.913 26.723 717.276 23.737 47.63666       35.74259 
1 1 1 -15 17 16 o 308.856 23.356 20.919  3.0323 0.0000  0.0000  20.919  3.0323 ?       ?      308.856 23.356 0.000000       23.35565 
1 1 1 -15 17 17 o 176.388 22.794 6.8945  1.6629 4.4840  2.0644  11.348  2.8059 137.900 35.223 223.663 30.412 -85.76320      46.53606 
1 1 1 -15 17 18 o 90.862  28.521 1.8412  1.2221 1.3030  1.4863  2.9649  2.1474 84.046  31.259 114.220 37.975 -30.17377      49.18571 
1 1 1 -15 17 19 o 114.441 22.320 2.9613  1.0429 1.2123  1.6290  4.1760  1.3576 84.399  32.425 135.704 24.525 -51.30549      40.65538 
1 1 1 -15 17 20 o 206.292 15.730 9.2303  1.3639 11.881  2.3515  7.8866  1.6743 230.587 24.454 188.692 21.327 41.89571       32.44726 
1 1 1 -15 17 21 o 267.372 17.359 15.555  1.9549 0.0000  0.0000  15.555  1.9549 ?       ?      267.372 17.359 0.000000       17.35853 
1 1 1 -15 18 1  o 334.418 19.855 24.160  2.7993 21.263  4.4934  25.998  3.5785 307.181 35.175 345.129 24.646 -37.94763      42.95030 
1 1 1 -15 18 2  o 186.533 22.782 7.6340  1.7622 8.9952  2.8479  6.7893  2.2433 198.422 35.179 172.962 31.798 25.46011       47.42007 
1 1 1 -15 18 3  o 130.026 33.574 3.8893  1.8616 0.0000  2.3640  10.239  3.0204 84.376  36.380 212.129 34.831 -127.7523      50.36572 
1 1 1 -15 18 4  o 98.860  32.649 2.0918  1.5883 1.1860  2.0600  3.4195  2.4940 91.562  36.092 124.158 40.908 -32.59644      54.55347 
1 1 1 -15 18 5  o 273.341 19.506 16.157  2.2431 15.794  3.5833  16.390  2.8764 265.423 32.562 273.479 25.117 -8.055878      41.12306 
1 1 1 -15 18 6  o 155.535 31.615 5.5160  2.0114 0.0000  0.0000  5.5160  2.0114 ?       ?      155.535 31.615 0.000000       31.61511 
1 1 1 -15 18 7  o 147.856 24.119 4.8592  1.4582 4.3837  2.2770  5.1898  1.8986 137.374 37.903 150.989 30.737 -13.61427      48.79972 
1 1 1 -15 18 8  o 147.885 41.264 5.1378  2.6824 0.0000  0.0000  5.1378  2.6824 ?       ?      147.885 41.264 0.000000       41.26390 
1 1 1 -15 18 9  o 97.721  28.266 2.1441  1.2363 -0.9765 1.9806  4.1358  1.5823 69.095  31.327 134.924 28.582 -65.82909      42.40602 
1 1 1 -15 18 10 o 294.620 21.868 18.884  2.7089 18.652  3.6151  19.181  4.0909 289.485 29.920 291.734 33.734 -2.249664      45.09128 
1 1 1 -15 18 11 o 98.670  28.668 2.1908  1.2691 3.5868  2.1187  1.4096  1.5850 124.844 37.248 87.712  32.348 37.13172       49.33347 
1 1 1 -15 18 12 o 121.989 25.384 3.3624  1.2687 1.5444  2.0135  4.5594  1.6338 94.953  36.151 141.732 28.212 -46.77822      45.85624 
1 1 1 -15 18 13 o 169.680 21.089 6.3220  1.4827 5.6773  2.2793  6.7950  1.9522 156.107 35.304 173.998 27.400 -17.89146      44.68943 
1 1 1 -15 18 14 o 305.230 18.859 20.167  2.4259 20.268  3.9811  20.107  3.0595 300.120 31.808 302.728 24.063 -2.607697      39.88420 
1 1 1 -15 18 15 o 198.087 20.686 8.5891  1.7097 9.1798  2.8477  8.2562  2.1379 199.222 35.031 191.991 27.044 7.230621       44.25571 
1 1 1 -15 18 16 o 175.455 19.561 6.7411  1.4287 6.6418  2.1244  6.8230  1.9305 170.297 30.581 174.015 27.077 -3.717911      40.84545 
1 1 1 -15 18 17 o 569.687 30.852 73.069  7.4154 0.0000  0.0000  73.069  7.4154 ?       ?      569.687 30.852 0.000000       30.85162 
1 1 1 -15 18 18 o 427.246 14.594 39.224  2.6406 38.720  4.2616  39.537  3.3642 418.619 24.141 427.010 18.604 -8.391357      30.47792 
1 1 1 -15 18 19 o 110.875 26.922 2.8455  1.2514 3.1151  1.7387  2.5557  1.8026 115.019 33.595 105.961 34.772 9.057526       48.34978 
1 1 1 -15 18 20 o 252.796 16.272 13.864  1.7328 15.140  2.6501  12.911  2.2901 260.498 24.303 241.212 22.685 19.28656       33.24561 
1 1 1 -15 18 21 o 283.117 14.299 17.291  1.7089 21.617  3.0374  15.287  2.0671 312.175 23.140 264.483 18.573 47.69171       29.67161 
1 1 1 -15 19 1  o 145.730 27.559 4.7879  1.6385 3.1912  2.6210  5.8122  2.0993 121.693 41.942 159.465 32.195 -37.77151      52.87404 
1 1 1 -15 19 2  o 114.369 31.509 2.9832  1.5749 0.7695  2.4970  4.4456  2.0295 93.383  38.659 138.645 34.659 -45.26229      51.92105 
1 1 1 -15 19 3  f 296.556 23.359 19.179  2.9099 16.505  3.8453  22.762  4.4514 270.430 34.351 318.586 33.495 -48.15689      47.97818 
1 1 1 -15 19 4  o 145.257 38.670 4.9300  2.4209 4.9300  2.4209  0.0000  0.0000 145.257 38.670 ?       ?      0.000000       38.66983 
1 1 1 -15 19 5  o 143.859 27.296 4.6633  1.6021 1.3526  2.7965  6.2807  1.9547 102.962 41.557 167.094 28.654 -64.13208      50.47802 
1 1 1 -15 19 6  o 228.525 20.172 11.343  1.9322 11.744  3.0672  11.079  2.4879 228.122 32.683 223.718 26.792 4.404099       42.26141 
1 1 1 -15 19 7  o 468.376 22.685 47.541  4.4997 0.0000  0.0000  47.541  4.4997 ?       ?      468.376 22.685 0.000000       22.68524 
1 1 1 -15 19 8  o 429.745 21.290 39.925  3.8745 35.254  5.1166  46.204  5.9323 398.505 30.551 456.260 30.884 -57.75510      43.44164 
1 1 1 -15 19 9  o 195.619 25.794 8.4856  2.0848 9.6810  2.8275  7.0616  3.0861 206.199 33.532 172.234 42.557 33.96506       54.17995 
1 1 1 -15 19 10 o 252.836 18.808 13.838  1.9995 14.041  3.2051  13.709  2.5583 250.196 30.907 249.773 24.501 0.4231567      39.44020 
1 1 1 -15 19 11 o 164.091 26.135 6.0229  1.7553 4.6983  2.3848  7.5889  2.5929 141.410 38.697 181.290 35.041 -39.87967      52.20465 
1 1 1 -15 19 12 f 236.774 18.968 12.160  1.8860 13.235  2.9845  11.446  2.4334 243.116 29.599 227.414 25.719 15.70212       39.21135 
1 1 1 -15 19 13 o 143.925 23.409 4.6173  1.3778 2.6251  2.2563  5.8018  1.7398 111.221 38.882 160.718 26.485 -49.49722      47.04533 
1 1 1 -15 19 14 o 95.113  28.999 2.0233  1.2741 1.8452  2.5371  2.0834  1.4733 104.125 40.338 97.336  31.403 6.789230       51.12068 
1 1 1 -15 19 15 o 88.325  32.166 1.4995  1.5601 4.0317  2.1527  -1.3020 2.2642 130.847 37.127 71.810  32.913 59.03637       49.61568 
1 1 1 -15 19 16 o 152.543 20.623 5.1416  1.2981 5.4184  1.9140  4.9059  1.7663 153.210 30.571 145.959 29.589 7.251099       42.54535 
1 1 1 -15 19 17 o 189.479 18.635 7.8502  1.4760 8.4541  2.1645  7.3254  2.0180 193.434 27.172 179.758 27.373 13.67616       38.56968 
1 1 1 -15 19 18 o 177.376 33.413 7.3853  2.4178 0.0000  0.0000  7.3853  2.4178 ?       ?      177.376 33.413 0.000000       33.41348 
1 1 1 -15 19 19 o 421.467 21.920 39.094  3.8989 0.0000  0.0000  39.094  3.8989 ?       ?      421.467 21.920 0.000000       21.91970 
1 1 1 -15 19 20 o 205.499 18.055 9.2378  1.5553 10.290  2.4045  8.4809  2.0394 212.813 27.310 193.811 25.464 19.00241       37.33958 
1 1 1 -15 19 21 o 149.651 20.413 4.9813  1.2599 6.7446  2.1255  4.0262  1.5644 170.088 30.635 131.277 28.920 38.81009       42.12948 
1 1 1 -15 20 1  o 195.737 23.259 8.4263  1.8902 12.206  3.0056  5.9529  2.4312 233.019 31.244 159.783 36.702 73.23586       48.20031 
1 1 1 -15 20 2  o 299.991 19.692 19.476  2.4878 19.918  3.9853  19.194  3.1845 298.228 32.058 295.585 25.696 2.643250       41.08556 
1 1 1 -15 20 3  o 165.500 24.455 6.0752  1.6624 7.1063  2.7147  5.4567  2.1027 174.607 37.808 154.008 33.216 20.59941       50.32645 
1 1 1 -15 20 4  o 176.671 30.841 7.0705  2.2235 9.8457  3.1644  4.3638  3.1251 206.398 37.587 138.309 45.803 68.08800       59.25164 
1 1 1 -15 20 5  o 245.192 20.228 13.053  2.0816 9.9547  3.4126  14.889  2.6269 206.216 40.522 260.689 24.066 -54.47296      47.12992 
1 1 1 -15 20 6  o 167.455 25.725 6.2475  1.7660 8.7894  3.2575  5.1895  2.1016 193.197 41.079 149.873 33.904 43.32397       53.26343 
1 1 1 -15 20 7  o 191.907 21.753 8.0664  1.7367 10.603  2.7612  6.4060  2.2339 217.074 30.909 167.238 32.713 49.83629       45.00568 
1 1 1 -15 20 8  o 256.371 24.838 14.449  2.6629 0.0000  0.0000  14.449  2.6629 ?       ?      256.371 24.838 0.000000       24.83803 
1 1 1 -15 20 9  o 254.628 22.771 14.178  2.4295 14.338  3.1712  13.952  3.7802 253.111 30.180 246.205 37.434 6.905640       48.08480 
1 1 1 -15 20 10 o 181.882 21.180 7.2509  1.6009 5.5122  2.5774  8.3430  2.0426 152.678 39.546 193.881 25.496 -41.20366      47.05281 
1 1 1 -15 20 11 o 84.246  29.328 1.4340  1.2830 0.3653  1.7137  2.7971  1.9354 76.027  31.796 111.845 35.983 -35.81743      48.01781 
1 1 1 -15 20 12 o 113.328 27.577 2.9360  1.3109 2.9449  2.0030  2.9293  1.7339 114.304 36.588 113.169 33.680 1.134796       49.72980 
1 1 1 -15 20 13 o 203.599 19.514 9.0372  1.6619 9.0791  2.5655  9.0069  2.1815 199.734 31.364 200.974 26.259 -1.240128      40.90516 
1 1 1 -15 20 14 o 153.778 23.687 5.2767  1.4930 3.0774  2.7888  6.1603  1.7677 119.988 43.103 165.581 26.071 -45.59253      50.37470 
1 1 1 -15 20 15 o 311.717 16.442 20.974  2.1628 17.698  3.2659  23.533  2.8866 281.299 27.778 328.371 20.866 -47.07227      34.74153 
1 1 1 -15 20 16 o 193.918 18.342 8.2085  1.4884 6.8037  2.1636  9.4704  2.0506 171.699 30.892 206.364 23.907 -34.66483      39.06224 
1 1 1 -15 20 17 o 141.734 21.043 4.4736  1.2247 3.8856  1.8754  4.9109  1.6172 127.947 34.023 146.495 27.064 -18.54847      43.47463 
1 1 1 -15 20 18 o 77.598  27.969 1.1812  1.1751 1.3648  1.5483  0.9316  1.8048 85.361  31.874 83.099  33.439 2.261887       46.19651 
1 1 1 -15 20 19 o 210.592 20.152 9.7709  1.7753 0.0000  0.0000  9.7709  1.7753 ?       ?      210.592 20.152 0.000000       20.15219 
1 1 1 -15 20 20 o 121.496 30.972 3.4897  1.5984 0.0000  0.0000  3.4897  1.5984 ?       ?      121.496 30.972 0.000000       30.97198 
1 1 1 -15 21 1  o 228.070 26.958 11.557  2.5534 5.8128  3.3854  19.137  3.8888 155.424 47.246 291.703 32.006 -136.2791      57.06594 
1 1 1 -15 21 2  o 83.468  29.608 1.3656  1.3120 -1.0161 2.0719  2.9598  1.6951 70.496  31.992 113.840 33.147 -43.34375      46.06787 
1 1 1 -15 21 3  o 188.170 24.181 7.8232  1.8824 3.8934  3.4296  9.5173  2.2518 134.032 47.836 207.109 26.264 -73.07710      54.57237 
1 1 1 -15 21 4  o 400.113 22.276 34.804  3.7596 33.838  5.0455  36.010  5.6372 389.931 30.805 400.543 33.542 -10.61176      45.54147 
1 1 1 -15 21 5  o 247.404 20.589 13.310  2.1376 9.8119  3.6728  15.102  2.6287 202.770 44.033 262.480 23.911 -59.71031      50.10599 
1 1 1 -15 21 6  o 312.000 19.205 21.055  2.5252 27.308  4.1750  17.447  3.1710 351.368 28.298 280.990 26.980 70.37863       39.09802 
1 1 1 -15 21 7  o 249.035 19.528 13.455  2.0430 16.978  3.3588  11.386  2.5738 276.124 29.165 226.294 27.417 49.83000       40.02853 
1 1 1 -15 21 8  o 190.332 27.729 8.1090  2.1694 0.0000  0.0000  8.1090  2.1694 ?       ?      190.332 27.729 0.000000       27.72891 
1 1 1 -15 21 9  o 236.773 36.807 12.917  3.5708 0.0000  0.0000  12.917  3.5708 ?       ?      236.773 36.807 0.000000       36.80668 
1 1 1 -15 21 10 o 217.201 22.952 10.366  2.0792 10.535  2.7669  10.148  3.1512 215.791 31.182 209.147 36.928 6.644089       48.33233 
1 1 1 -15 21 11 o 355.505 21.215 27.495  3.1795 25.007  4.1772  30.923  4.9023 334.669 29.784 371.318 31.471 -36.64905      43.33079 
1 1 1 -15 21 12 o 259.122 18.226 14.547  1.9873 12.436  3.0569  16.092  2.6153 234.172 31.635 270.830 23.021 -36.65848      39.12449 
1 1 1 -15 21 13 o 222.818 19.135 10.810  1.7881 11.410  2.7700  10.381  2.3412 224.738 29.842 215.788 26.154 8.951019       39.68091 
1 1 1 -15 21 14 o 226.747 19.713 11.226  1.8741 9.9502  3.0788  11.977  2.3622 206.011 36.632 232.473 24.356 -26.46230      43.98953 
1 1 1 -15 21 15 o 317.589 16.361 21.790  2.1931 17.236  3.2399  25.641  2.9794 277.016 28.002 342.621 20.630 -65.60413      34.78075 
1 1 1 -15 21 16 o 364.358 16.187 28.633  2.4978 27.965  3.6582  29.216  3.4186 355.218 24.467 364.503 22.253 -9.284332      33.07365 
1 1 1 -15 21 17 o 143.439 22.028 4.6071  1.2953 5.8083  2.0754  3.8407  1.6578 157.202 32.256 127.782 30.961 29.41981       44.71054 
1 1 1 -15 21 18 o 70.069  25.606 0.9217  0.9899 -0.5816 1.4976  2.0880  1.3191 61.055  27.501 95.643  29.568 -34.58784      40.38017 
1 1 1 -15 21 19 o 114.303 27.509 3.0429  1.3155 2.3852  1.9671  3.5752  1.7694 103.890 36.305 122.432 33.262 -18.54185      49.23880 
1 1 1 -15 21 20 o 88.360  27.168 1.7692  1.1153 1.5569  1.7695  1.9092  1.4366 90.423  34.014 92.844  31.066 -2.420692      46.06576 
1 1 1 -15 22 1  o 141.140 30.978 4.5920  1.8008 3.4171  2.4871  5.8868  2.6109 122.966 40.868 157.354 39.298 -34.38796      56.69658 
1 1 1 -15 22 2  o 282.105 19.905 17.283  2.3627 14.876  3.9100  18.668  2.9654 253.695 37.525 291.523 24.240 -37.82797      44.67307 
1 1 1 -15 22 3  o 173.296 29.931 6.8138  2.1172 7.5549  3.0602  6.1334  2.9322 178.081 41.368 160.005 42.540 18.07613       59.33758 
1 1 1 -15 22 4  o 174.954 30.954 6.9683  2.2095 4.9701  3.1899  8.8112  3.0634 145.064 46.145 193.937 38.656 -48.87317      60.19714 
1 1 1 -15 22 5  o 144.070 26.831 4.6865  1.5768 3.4671  2.7458  5.2864  1.9260 125.198 42.942 151.889 30.992 -26.69202      52.95767 
1 1 1 -15 22 6  o 138.037 28.204 4.3356  1.5930 4.2431  2.9507  4.3737  1.8925 135.610 44.488 137.387 32.952 -1.777252      55.36211 
1 1 1 -15 22 7  o 202.485 21.213 8.9720  1.7920 9.1227  3.0920  8.8958  2.1989 197.472 38.356 199.787 26.655 -2.314804      46.70789 
1 1 1 -15 22 8  o 222.733 19.729 10.797  1.8417 13.629  2.9491  8.9856  2.3581 246.989 28.731 199.992 28.662 46.99687       40.58305 
1 1 1 -15 22 9  o 208.563 39.083 10.210  3.3252 0.0000  0.0000  10.210  3.3252 ?       ?      208.563 39.083 0.000000       39.08340 
1 1 1 -15 22 10 o 140.902 24.380 4.4522  1.4021 5.2265  2.2770  3.9793  1.7795 149.021 36.395 130.926 32.295 18.09535       48.65721 
1 1 1 -15 22 11 o 148.307 27.508 4.9928  1.6640 6.4432  2.2297  3.1695  2.5000 166.986 32.700 119.529 40.977 47.45747       52.42496 
1 1 1 -15 22 12 o 69.458  28.250 0.4983  1.3033 1.2330  1.5953  -0.9765 2.2601 84.768  32.201 73.956  33.503 10.81200       46.46881 
1 1 1 -15 22 13 o 166.179 25.915 6.2177  1.7643 5.9557  2.3241  6.5740  2.7104 158.862 35.446 165.449 39.271 -6.586853      52.90224 
1 1 1 -15 22 14 o 150.786 22.842 5.0804  1.4129 7.0865  2.2484  3.7712  1.8164 175.071 31.483 126.539 33.404 48.53141       45.90268 
1 1 1 -15 22 15 o 142.499 26.040 4.6263  1.5135 5.5175  1.8141  2.5853  2.7454 154.881 28.716 112.744 42.376 42.13655       51.18861 
1 1 1 -15 22 16 o 189.620 20.742 7.9414  1.6385 7.4987  2.1688  8.5301  2.5007 180.579 29.370 191.536 31.956 -10.95639      43.40228 
1 1 1 -15 22 17 o 181.965 21.421 7.3499  1.6191 5.6522  2.1994  9.3584  2.3922 153.763 34.610 202.197 28.747 -48.43388      44.99168 
1 1 1 -15 22 18 o 141.874 25.915 4.6102  1.4996 3.2176  1.9053  6.8776  2.4312 116.369 35.459 169.582 35.013 -53.21255      49.83255 
1 1 1 -15 22 19 f 182.108 20.020 7.3306  1.5185 10.201  2.3294  5.2098  2.0024 212.105 26.512 147.994 32.810 64.11130       42.18259 
1 1 1 -15 23 1  o 181.912 24.161 7.3564  1.8153 5.2169  3.0279  8.5569  2.2681 147.003 44.680 194.806 28.322 -47.80281      52.90026 
1 1 1 -15 23 2  o 184.784 30.092 7.7651  2.2738 6.3094  3.1163  9.4223  3.3250 161.009 44.308 198.821 40.856 -37.81143      60.27008 
1 1 1 -15 23 3  o 68.334  29.981 -0.2643 1.6652 1.2259  2.4119  -1.6217 2.3018 95.954  38.641 70.509  32.628 25.44501       50.57346 
1 1 1 -15 23 4  o 173.843 23.473 6.6993  1.6839 1.9152  2.8278  9.3280  2.0961 107.915 42.366 205.193 24.613 -97.27742      48.99660 
1 1 1 -15 23 5  o 151.304 31.358 5.2707  1.9432 6.0219  2.8321  4.6025  2.6713 158.428 41.658 139.383 41.879 19.04475       59.06950 
1 1 1 -15 23 6  o 181.231 22.501 7.2452  1.6898 10.159  3.0229  5.9208  2.0380 209.760 35.282 160.679 31.074 49.08018       47.01491 
1 1 1 -15 23 7  o 446.154 17.793 42.880  3.3619 47.915  5.5045  39.885  4.2457 465.009 28.084 426.959 23.573 38.05054       36.66555 
1 1 1 -15 23 8  o 388.963 18.103 32.620  2.9820 36.105  4.9504  30.635  3.7359 402.549 29.238 373.874 23.718 28.67462       37.64844 
1 1 1 -15 23 9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 23 10 o 290.701 35.421 19.426  4.2704 0.0000  0.0000  19.426  4.2704 ?       ?      290.701 35.421 0.000000       35.42056 
1 1 1 -15 23 11 o 205.967 23.052 9.3772  1.9762 7.8120  2.5683  11.649  3.0943 183.146 34.375 225.029 33.491 -41.88254      47.99278 
1 1 1 -15 23 12 o 100.513 35.516 2.1192  1.8859 2.1192  1.8859  0.0000  0.0000 100.513 35.516 ?       ?      0.000000       35.51571 
1 1 1 -15 23 13 o 263.424 20.891 15.212  2.3115 13.944  2.9778  17.134  3.6664 248.355 28.850 273.518 32.275 -25.16339      43.28964 
1 1 1 -15 23 14 o 146.621 27.003 4.9160  1.6149 5.2928  1.9295  4.0349  2.9508 150.571 31.282 130.549 44.519 20.02155       54.41026 
1 1 1 -15 23 15 o 259.780 18.831 14.739  2.0576 16.054  2.7965  13.187  3.0383 268.206 24.905 239.768 30.622 28.43864       39.47143 
1 1 1 -15 23 16 o 198.070 20.303 8.6538  1.6790 8.1473  2.2992  9.2324  2.4576 187.888 29.898 200.227 29.899 -12.33994      42.28241 
1 1 1 -15 23 17 o 208.142 21.861 9.6173  1.8982 8.0512  2.3607  12.483  3.1930 185.963 31.072 230.757 33.665 -44.79413      45.81233 
1 1 1 -15 23 18 o 205.189 19.314 9.2611  1.6585 9.7748  2.4829  8.8472  2.2287 206.120 29.266 196.855 27.483 9.264587       40.14727 
1 1 1 -15 24 1  o 130.454 34.305 4.0018  1.9204 0.0000  0.0000  4.0018  1.9204 ?       ?      130.454 34.305 0.000000       34.30498 
1 1 1 -15 24 2  o 151.115 35.216 5.3815  2.2119 9.3863  3.2299  1.8444  3.0355 198.447 39.817 108.774 43.509 89.67279       58.97830 
1 1 1 -15 24 3  o 143.038 33.365 4.7855  1.9840 3.2202  2.8828  6.1941  2.7348 121.998 43.824 160.461 40.300 -38.46299      59.53634 
1 1 1 -15 24 4  o 106.121 29.892 2.5847  1.4007 -0.0000 2.4813  3.7936  1.6969 85.308  37.026 127.723 31.557 -42.41483      48.64886 
1 1 1 -15 24 5  f 143.270 32.269 4.7739  1.9108 3.9832  2.7160  5.5488  2.6889 130.713 42.672 151.848 40.899 -21.13478      59.10690 
1 1 1 -15 24 6  o 175.798 28.969 7.0189  2.0816 5.9210  2.9541  8.1015  2.9335 156.120 43.212 184.776 38.728 -28.65613      58.02698 
1 1 1 -15 24 7  f 230.145 24.466 11.729  2.3480 11.221  3.2947  12.254  3.3470 219.275 36.782 230.032 35.500 -10.75665      51.11956 
1 1 1 -15 24 8  f 250.806 22.340 13.818  2.3479 13.091  3.1389  14.742  3.5376 239.798 31.686 253.517 33.792 -13.71898      46.32383 
1 1 1 -15 24 9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 24 10 f 53.420  24.295 -0.6563 1.2030 -3.5067 1.6775  2.3621  1.7263 47.212  23.293 103.118 34.037 -55.90597      41.24417 
1 1 1 -15 24 11 o 93.375  37.343 1.2651  2.2356 0.0000  0.0000  1.2651  2.2356 ?       ?      93.375  37.343 0.000000       37.34265 
1 1 1 -15 24 12 o 171.191 24.939 6.5865  1.7549 4.9445  2.3217  8.7751  2.6804 143.321 37.734 193.861 33.882 -50.53986      50.71282 
1 1 1 -15 24 13 o 147.346 35.180 5.1817  2.1648 5.1817  2.1648  0.0000  0.0000 147.346 35.180 ?       ?      0.000000       35.17952 
1 1 1 -15 24 14 o 163.661 24.871 6.0490  1.6695 6.3894  2.0649  5.4062  2.8373 165.859 30.522 147.473 42.869 18.38550       52.62459 
1 1 1 -15 24 15 o 81.360  29.317 1.3167  1.2911 0.0000  1.6106  3.6837  2.1595 69.153  29.922 123.859 37.753 -54.70541      48.17251 
1 1 1 -15 24 16 o 71.715  27.521 0.8486  1.1727 2.1777  1.5273  -1.0603 1.8304 98.087  31.998 64.241  29.498 33.84649       43.52061 
1 1 1 -15 24 17 o 250.000 18.350 13.667  1.9292 12.741  2.6887  14.650  2.7697 236.867 27.304 254.925 26.020 -18.05797      37.71643 
1 1 1 -15 25 1  o 128.447 33.988 3.8853  1.8776 0.0000  0.0000  3.8853  1.8776 ?       ?      128.447 33.988 0.000000       33.98826 
1 1 1 -15 25 2  o 156.272 32.760 5.7005  2.0987 0.0000  0.0000  5.7005  2.0987 ?       ?      156.272 32.760 0.000000       32.75957 
1 1 1 -15 25 3  o 112.672 42.679 2.4799  2.7975 2.4799  2.7975  0.0000  0.0000 112.672 42.679 ?       ?      0.000000       42.67903 
1 1 1 -15 25 4  o 91.562  33.341 1.6439  1.6762 2.1845  2.6240  1.2712  2.1786 107.960 41.229 92.880  36.955 15.07919       55.36699 
1 1 1 -15 25 5  o 229.981 24.850 11.756  2.3818 13.954  3.3836  9.5965  3.3533 246.461 33.269 199.666 41.030 46.79469       52.82267 
1 1 1 -15 25 6  o 220.190 25.204 10.801  2.3079 14.662  3.3292  7.2290  3.2023 253.580 31.694 171.400 43.918 82.18054       54.15989 
1 1 1 -15 25 7  o 97.005  31.594 2.0838  1.4892 2.4218  2.1244  1.7573  2.0880 106.605 37.692 97.543  36.891 9.062202       52.74071 
1 1 1 -15 25 8  o 148.653 29.770 5.0993  1.8087 4.2579  2.2990  6.4661  2.9302 133.482 38.528 162.555 42.195 -29.07317      57.13866 
1 1 1 -15 25 9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 25 10 o 137.298 30.423 4.3900  1.7224 2.7534  2.2283  6.8191  2.7147 111.475 38.658 168.058 38.911 -56.58354      54.85015 
1 1 1 -15 25 11 o 94.795  31.099 1.9915  1.4419 2.9991  1.8122  0.2528  2.3805 113.358 34.591 85.202  36.620 28.15595       50.37445 
1 1 1 -15 25 12 o 76.877  32.794 0.2417  1.8834 0.0000  0.0000  0.2417  1.8834 ?       ?      76.877  32.794 0.000000       32.79423 
1 1 1 -15 25 13 o 115.831 40.577 3.0405  2.4579 0.0000  0.0000  3.0405  2.4579 ?       ?      115.831 40.577 0.000000       40.57687 
1 1 1 -15 25 14 o 142.118 31.713 4.7680  1.8602 4.1474  2.0011  8.7159  5.0472 131.318 35.246 177.261 58.186 -45.94342      68.02817 
1 1 1 -15 25 15 o 279.197 26.011 17.532  3.0401 17.532  3.0401  0.0000  0.0000 279.197 26.011 ?       ?      0.000000       26.01094 
1 1 1 -15 25 16 o 115.702 28.545 3.1361  1.3900 3.4533  1.8258  2.6986  2.1440 120.129 34.229 109.185 37.917 10.94389       51.08180 
1 1 1 -15 25 17 o 201.463 19.730 8.9498  1.6617 8.4094  2.3634  9.4782  2.3369 190.265 30.351 203.564 27.838 -13.29848      41.18401 
1 1 1 -15 26 1  o 129.413 33.663 3.9501  1.8624 2.1153  2.7397  5.5263  2.5393 108.024 41.899 151.193 39.297 -43.16885      57.44363 
1 1 1 -15 26 2  o 139.270 44.713 4.6982  2.9897 0.0000  0.0000  4.6982  2.9897 ?       ?      139.270 44.713 0.000000       44.71293 
1 1 1 -15 26 3  o 89.949  37.510 0.7532  2.3754 0.7532  2.3754  0.0000  0.0000 89.949  37.510 ?       ?      0.000000       37.51034 
1 1 1 -15 26 4  o 103.560 41.233 1.7162  2.7138 1.7162  2.7138  0.0000  0.0000 103.560 41.233 ?       ?      0.000000       41.23253 
1 1 1 -15 26 5  o 103.175 32.482 2.4208  1.5838 0.4760  2.4977  3.7286  2.0482 89.097  37.880 125.410 36.414 -36.31293      52.54391 
1 1 1 -15 26 6  f 228.409 25.770 11.671  2.4491 14.900  3.5592  8.7675  3.3752 253.764 33.972 188.781 43.158 64.98343       54.92489 
1 1 1 -15 26 7  o 262.281 23.630 15.234  2.5964 12.186  3.3586  19.760  4.0933 227.903 35.994 292.825 33.618 -64.92163      49.25145 
1 1 1 -15 26 8  o 317.800 22.470 22.239  3.0046 16.789  3.9400  29.813  4.6447 268.258 35.558 362.545 30.536 -94.28705      46.87034 
1 1 1 -15 26 9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 26 10 o 99.699  32.011 2.2487  1.5323 1.5811  2.0237  3.1456  2.3457 94.065  36.140 116.984 39.693 -22.91866      53.68082 
1 1 1 -15 26 11 o 84.918  30.277 1.4643  1.3735 -0.1874 1.7278  4.3007  2.2642 69.707  30.562 133.262 38.168 -63.55495      48.89606 
1 1 1 -15 26 12 o 71.105  28.147 0.7079  1.2579 0.3455  1.6485  1.2130  1.9463 73.634  31.012 88.391  35.005 -14.75777      46.76622 
1 1 1 -15 26 13 o 217.957 36.082 11.296  3.2139 0.0000  0.0000  11.296  3.2139 ?       ?      217.957 36.082 0.000000       36.08154 
1 1 1 -15 26 14 o 111.649 36.344 2.9115  1.9707 0.0000  0.0000  2.9115  1.9707 ?       ?      111.649 36.344 0.000000       36.34367 
1 1 1 -15 26 15 o 283.655 22.568 17.853  2.6886 18.505  3.0796  15.761  5.5127 286.973 25.610 240.929 55.212 46.04388       60.86250 
1 1 1 -15 26 16 o 163.359 32.294 6.3111  2.1549 6.3111  2.1549  0.0000  0.0000 163.359 32.294 ?       ?      0.000000       32.29395 
1 1 1 -15 27 1  o 110.107 34.999 2.7836  1.8353 2.4080  2.6970  3.1075  2.5046 110.648 41.907 117.679 40.976 -7.031464      58.61062 
1 1 1 -15 27 2  o 166.632 32.495 6.4815  2.2107 9.0771  3.4763  4.7189  2.8646 191.676 43.785 139.206 43.662 52.46924       61.83451 
1 1 1 -15 27 3  o 114.957 39.955 2.9587  2.3809 0.0000  0.0000  2.9587  2.3809 ?       ?      114.957 39.955 0.000000       39.95491 
1 1 1 -15 27 4  o 346.304 31.976 27.398  4.6366 27.398  4.6366  0.0000  0.0000 346.304 31.976 ?       ?      0.000000       31.97620 
1 1 1 -15 27 5  o 156.937 46.253 6.1948  3.2828 6.1948  3.2828  0.0000  0.0000 156.937 46.253 ?       ?      0.000000       46.25333 
1 1 1 -15 27 6  o 145.323 30.639 4.9247  1.8262 3.2250  2.3032  7.8029  2.9970 118.023 39.333 178.803 40.517 -60.77992      56.46861 
1 1 1 -15 27 7  o 274.755 22.232 16.655  2.5646 12.293  3.3673  22.680  3.9577 228.423 36.002 316.003 29.930 -87.57962      46.81845 
1 1 1 -15 27 8  o 192.071 25.667 8.3124  2.0355 8.0723  2.5712  8.7155  3.3316 185.222 34.034 187.536 42.883 -2.313705      54.74681 
1 1 1 -15 27 9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -15 27 10 o 97.408  31.513 2.1414  1.4829 1.5842  1.9620  2.8838  2.2646 93.203  35.638 112.775 38.980 -19.57217      52.81554 
1 1 1 -15 27 11 o 335.688 20.743 24.750  2.9343 18.919  3.7725  33.682  4.6688 286.554 31.613 385.610 28.798 -99.05606      42.76355 
1 1 1 -15 27 12 o 103.500 29.991 2.4958  1.3907 2.2456  1.7486  2.9264  2.2941 100.459 34.270 113.202 39.227 -12.74239      52.08811 
1 1 1 -15 27 13 o 98.758  30.174 2.2500  1.3784 -0.0000 1.8949  4.7782  2.0086 74.381  32.320 141.140 34.007 -66.75887      46.91537 
1 1 1 -15 27 14 o 121.214 36.517 3.5363  2.0291 0.0000  0.0000  3.5363  2.0291 ?       ?      121.214 36.517 0.000000       36.51657 
1 1 1 -15 27 15 f 70.762  31.339 -0.3161 1.8601 0.0000  0.0000  -0.3161 1.8601 ?       ?      70.762  31.339 0.000000       31.33891 
1 1 1 -15 28 2  o 229.117 27.109 11.826  2.5794 15.193  3.6484  8.4610  3.6471 255.570 34.599 182.884 46.874 72.68605       58.26012 
1 1 1 -15 28 3  o 235.524 38.234 13.197  3.6828 0.0000  0.0000  13.197  3.6828 ?       ?      235.524 38.234 0.000000       38.23442 
1 1 1 -15 28 4  o 172.408 43.222 7.3932  3.1498 0.0000  0.0000  7.3932  3.1498 ?       ?      172.408 43.222 0.000000       43.22154 
1 1 1 -15 28 5  o 177.959 38.451 7.6552  2.8132 7.6552  2.8132  0.0000  0.0000 177.959 38.451 ?       ?      0.000000       38.45067 
1 1 1 -15 28 6  o 226.546 35.120 12.063  3.2604 12.063  3.2604  0.0000  0.0000 226.546 35.120 ?       ?      0.000000       35.11995 
1 1 1 -15 28 7  o 163.072 28.073 6.1043  1.8688 6.1037  2.4641  6.1052  2.8671 158.859 37.270 156.639 42.251 2.219864       56.33954 
1 1 1 -15 28 8  o 112.122 31.754 2.9547  1.5762 3.2386  2.0347  2.5286  2.4926 117.093 36.809 109.634 40.540 7.458916       54.75726 
1 1 1 -15 28 9  o 253.363 36.409 15.203  3.7943 0.0000  0.0000  15.203  3.7943 ?       ?      253.363 36.409 0.000000       36.40907 
1 1 1 -15 28 10 o 211.951 24.261 10.067  2.1384 6.1359  2.8233  15.357  3.2751 156.779 41.770 258.517 30.503 -101.7378      51.72217 
1 1 1 -15 28 11 o 82.629  30.385 1.3218  1.3970 0.1832  1.7564  3.2827  2.3049 73.720  31.564 118.027 39.348 -44.30733      50.44322 
1 1 1 -15 28 12 o 205.822 22.806 9.4524  1.9544 6.0601  2.4824  14.984  3.1698 157.433 37.727 255.441 29.866 -98.00781      48.11769 
1 1 1 -15 28 13 o 197.433 21.173 8.6490  1.7427 7.6139  2.3547  9.9024  2.5912 179.973 32.071 206.654 30.527 -26.68112      44.27715 
1 1 1 -15 29 4  o 187.918 42.061 8.7106  3.2638 0.0000  0.0000  8.7106  3.2638 ?       ?      187.918 42.061 0.000000       42.06105 
1 1 1 -15 29 5  o 201.030 41.586 9.9224  3.4236 0.0000  0.0000  9.9224  3.4236 ?       ?      201.030 41.586 0.000000       41.58636 
1 1 1 -15 29 6  o 191.600 34.349 8.6642  2.6847 8.6642  2.6847  0.0000  0.0000 191.600 34.349 ?       ?      0.000000       34.34912 
1 1 1 -15 29 7  o 171.683 27.962 6.7580  1.9631 5.5000  2.5999  8.4264  2.9940 149.290 40.219 185.961 39.251 -36.67088      56.19781 
1 1 1 -15 29 8  o 210.439 25.145 9.9621  2.1965 10.438  2.8541  9.2709  3.4400 211.252 32.980 192.558 43.242 18.69341       54.38346 
1 1 1 -15 29 9  o 225.128 37.046 12.119  3.4090 0.0000  0.0000  12.119  3.4090 ?       ?      225.128 37.046 0.000000       37.04568 
1 1 1 -15 29 10 o 83.220  33.332 0.9888  1.7841 0.9888  1.7841  0.0000  0.0000 83.220  33.332 ?       ?      0.000000       33.33174 
1 1 1 -15 29 11 o 178.676 24.744 7.2142  1.8221 8.2398  2.4093  5.8438  2.7850 187.809 31.401 152.606 41.842 35.20345       52.31423 
1 1 1 -14 0  1  o 459.356 23.580 45.268  4.5594 43.884  6.4411  46.659  6.4549 448.893 34.345 463.479 33.281 -0.000000      0.000000 
1 1 1 -14 0  2  o 585.364 23.411 73.271  5.7825 63.809  8.0841  83.185  8.2747 542.375 35.546 621.525 31.624 0.000000       0.000000 
1 1 1 -14 0  3  o 216.468 27.752 10.465  2.4295 8.3543  3.3809  12.718  3.4935 178.490 51.558 235.096 38.088 -0.000000      0.000000 
1 1 1 -14 0  4  o 1016.66 24.775 220.455 10.653 221.321 15.163  219.610 14.968 1014.86 35.379 1011.05 35.055 -0.000000      0.000000 
1 1 1 -14 0  5  o 1041.09 24.789 231.150 10.915 225.224 15.561  236.889 15.315 1023.59 36.000 1050.48 34.510 -0.000000      0.000000 
1 1 1 -14 0  6  o 719.558 33.300 111.411 10.098 111.411 10.098  0.0000  0.0000 719.558 33.300 719.558 33.300 -0.000000      0.000000 
1 1 1 -14 0  7  o 344.206 33.621 26.042  4.7936 0.0000  0.0000  26.042  4.7936 344.206 33.621 344.206 33.621 -0.000000      0.000000 
1 1 1 -14 0  8  o 589.026 32.831 74.865  8.1314 74.865  8.1314  0.0000  0.0000 589.026 32.831 589.026 32.831 -0.000000      0.000000 
1 1 1 -14 0  9  o 716.492 22.874 109.569 6.9246 101.502 9.6048  118.300 9.9924 686.435 33.218 741.870 31.940 0.000000       0.000000 
1 1 1 -14 0  10 o 1037.37 24.232 229.549 10.633 231.574 14.773  227.373 15.314 1038.41 33.675 1028.22 35.264 0.000000       0.000000 
1 1 1 -14 0  11 o 322.294 22.802 22.438  3.0764 19.732  4.4068  25.010  4.2967 296.896 36.532 338.046 30.589 -0.000000      0.000000 
1 1 1 -14 0  12 o 473.072 21.802 47.930  4.3466 46.212  5.9745  49.863  6.3356 461.786 30.867 479.689 31.499 0.000000       0.000000 
1 1 1 -14 0  13 o 410.808 32.286 36.808  5.5371 36.808  5.5371  0.0000  0.0000 410.808 32.286 410.808 32.286 -0.000000      0.000000 
1 1 1 -14 0  14 o 715.763 29.723 110.202 8.9744 0.0000  0.0000  110.202 8.9744 715.763 29.723 715.763 29.723 -0.000000      0.000000 
1 1 1 -14 0  15 o 227.996 22.353 11.389  2.1106 15.449  3.3167  8.6270  2.7362 263.351 30.846 189.950 38.401 -0.000000      0.000000 
1 1 1 -14 0  16 o 354.224 20.579 26.990  3.0633 28.521  4.7827  25.925  3.9888 360.421 31.909 344.843 27.726 -0.000000      0.000000 
1 1 1 -14 0  17 o 167.545 23.406 6.3252  1.5680 9.0513  2.6322  4.8259  1.9521 196.783 34.845 135.772 39.141 -0.000000      0.000000 
1 1 1 -14 0  18 o 940.494 28.738 190.277 11.422 190.277 11.422  0.0000  0.0000 940.494 28.738 940.494 28.738 0.000000       0.000000 
1 1 1 -14 0  19 o 87.208  31.424 2.1576  1.0631 1.8251  1.3270  2.7532  1.7761 75.872  36.137 93.692  41.985 0.000000       0.000000 
1 1 1 -14 0  20 o 278.452 32.596 17.413  3.7061 17.413  3.7061  0.0000  0.0000 278.452 32.596 278.452 32.596 -0.000000      0.000000 
1 1 1 -14 0  21 o 77.174  31.288 1.7831  1.0013 1.7831  1.0013  0.0000  0.0000 77.174  31.288 77.174  31.288 0.000000       0.000000 
1 1 1 -14 0  22 o 106.364 29.263 2.9165  1.1398 0.0000  0.0000  2.9165  1.1398 106.364 29.263 106.364 29.263 -0.000000      0.000000 
1 1 1 -14 0  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 0  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 0  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 1  1  o 402.318 19.279 34.519  3.2846 30.940  3.9972  41.960  5.7639 379.174 25.033 440.021 31.132 -60.84634      39.94876 
1 1 1 -14 1  2  o 367.381 16.835 28.731  2.6192 27.236  3.6799  30.265  3.7288 355.820 24.571 375.400 23.575 -19.57959      34.05170 
1 1 1 -14 1  3  o 874.588 17.025 162.823 6.3055 162.204 8.8841  163.452 8.9511 870.624 24.096 873.930 24.186 -3.306519      34.13992 
1 1 1 -14 1  4  o 227.003 17.978 11.042  1.7141 11.423  2.4060  10.650  2.4427 229.632 25.152 221.337 26.593 8.294388       36.60329 
1 1 1 -14 1  5  f 626.502 16.248 83.503  4.3109 83.616  6.0715  83.389  6.1219 625.471 22.922 624.565 23.145 0.9059448      32.57473 
1 1 1 -14 1  6  o 791.763 23.798 134.085 7.9797 135.368 11.231  132.777 11.340 791.657 33.499 783.734 34.166 7.923340       47.84911 
1 1 1 -14 1  7  o 260.756 24.616 14.679  2.6861 16.529  3.7933  12.819  3.8042 274.784 33.276 240.029 38.744 34.75528       51.07207 
1 1 1 -14 1  8  o 849.322 34.066 156.005 12.253 0.0000  0.0000  156.005 12.253 ?       ?      849.322 34.066 0.000000       34.06572 
1 1 1 -14 1  9  f 784.631 16.237 131.011 5.3952 135.545 7.6110  126.432 7.6490 796.249 22.571 768.708 23.496 27.54132       32.58107 
1 1 1 -14 1  10 o 200.896 17.404 8.6601  1.4661 7.2329  2.0527  10.146  2.0946 181.505 27.572 216.558 23.201 -35.05315      36.03454 
1 1 1 -14 1  11 o 838.501 16.273 149.685 5.7784 150.274 8.1329  149.085 8.2114 837.922 22.919 834.474 23.236 3.447266       32.63746 
1 1 1 -14 1  12 o 527.886 15.338 59.306  3.4289 58.940  4.8092  59.685  4.8903 524.937 21.633 528.189 21.862 -3.251831      30.75643 
1 1 1 -14 1  13 o 489.483 17.599 51.094  3.6481 48.728  4.3846  56.416  6.5766 477.140 21.699 509.862 30.600 -32.72177      37.51244 
1 1 1 -14 1  14 o 377.709 21.820 30.658  3.4753 0.0000  0.0000  30.658  3.4753 ?       ?      377.709 21.820 0.000000       21.81962 
1 1 1 -14 1  15 o 127.806 20.878 3.5856  1.0910 4.7084  1.3640  1.5919  1.8176 146.483 22.724 94.444  34.669 52.03883       41.45301 
1 1 1 -14 1  16 o 303.996 14.467 19.682  1.8624 20.535  2.5982  18.780  2.6711 309.093 19.956 295.169 21.517 13.92441       29.34624 
1 1 1 -14 1  17 o 327.424 13.981 22.831  1.9386 23.698  2.7117  21.925  2.7725 332.166 19.361 319.147 20.624 13.01962       28.28761 
1 1 1 -14 1  18 o 155.384 17.294 5.2231  1.1187 5.7476  1.4347  4.4096  1.7868 162.230 21.406 139.583 31.031 22.64764       37.69772 
1 1 1 -14 1  19 o 278.675 13.623 16.553  1.6077 17.534  2.2523  15.533  2.2956 285.393 18.740 268.134 20.369 17.25903       27.67795 
1 1 1 -14 1  20 o 466.892 18.321 46.792  3.6225 49.141  4.4935  42.432  6.1221 476.935 22.248 436.720 33.354 40.21472       40.09299 
1 1 1 -14 1  21 o 352.877 14.657 26.630  2.1903 28.744  3.0768  24.457  3.1188 364.553 20.006 335.409 22.080 29.14343       29.79564 
1 1 1 -14 1  22 o 287.587 17.302 17.836  2.0974 0.0000  0.0000  17.836  2.0974 ?       ?      287.587 17.302 0.000000       17.30227 
1 1 1 -14 1  23 o 233.903 24.069 12.059  2.3502 12.059  2.3502  0.0000  0.0000 233.903 24.069 ?       ?      0.000000       24.06906 
1 1 1 -14 1  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 1  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 1  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 2  1  o 777.104 19.402 128.804 6.3852 131.087 7.7830  124.103 11.167 782.645 23.482 756.716 34.846 25.92889       42.02005 
1 1 1 -14 2  2  o 574.196 16.408 70.167  3.9898 77.255  5.6320  63.025  5.6530 601.263 22.118 542.487 24.606 58.77686       33.08619 
1 1 1 -14 2  3  o 452.230 16.369 43.518  3.1350 50.370  4.4272  36.626  4.4399 485.666 21.525 412.672 25.530 72.99390       33.39379 
1 1 1 -14 2  4  o 479.067 16.181 48.827  3.2829 46.672  4.5794  51.106  4.7087 467.221 23.144 488.995 22.738 -21.77432      32.44501 
1 1 1 -14 2  5  o 206.455 18.332 9.1501  1.5861 10.488  2.2327  7.7870  2.2538 220.079 24.364 188.214 29.224 31.86485       38.04778 
1 1 1 -14 2  6  o 519.709 22.935 57.733  5.0478 56.141  7.0699  59.389  7.2095 508.952 32.979 523.631 32.675 -14.67908      46.42453 
1 1 1 -14 2  7  o 74.453  27.670 0.9189  1.1641 0.2144  1.9719  1.2957  1.4422 80.678  33.945 85.222  30.943 -4.543495      45.93211 
1 1 1 -14 2  8  o 404.613 33.260 35.598  5.6487 0.0000  0.0000  35.598  5.6487 ?       ?      404.613 33.260 0.000000       33.26041 
1 1 1 -14 2  9  o 288.721 16.296 17.796  1.9844 16.629  2.7467  19.071  2.8699 277.800 23.570 297.760 22.936 -19.96002      32.88772 
1 1 1 -14 2  10 o 484.567 15.610 49.959  3.2032 49.466  4.4772  50.475  4.5848 481.041 21.978 485.857 22.283 -4.815796      31.29755 
1 1 1 -14 2  11 o 376.450 15.445 30.155  2.4623 27.747  3.4254  32.730  3.5418 359.407 22.621 390.725 21.487 -31.31769      31.19940 
1 1 1 -14 2  12 o 420.403 15.259 37.613  2.7167 35.288  3.7539  40.171  3.9364 405.535 21.940 433.392 21.447 -27.85660      30.68142 
1 1 1 -14 2  13 o 597.264 17.557 76.072  4.4409 74.455  5.3096  79.838  8.1018 589.912 21.254 606.292 31.664 -16.38074      38.13557 
1 1 1 -14 2  14 o 395.928 22.004 33.688  3.6749 0.0000  0.0000  33.688  3.6749 ?       ?      395.928 22.004 0.000000       22.00398 
1 1 1 -14 2  15 o 558.559 16.592 66.537  3.9248 63.670  4.8035  72.294  6.8072 545.282 20.802 578.508 27.785 -33.22662      34.70911 
1 1 1 -14 2  16 o 365.928 14.253 28.513  2.2088 29.695  3.0463  27.204  3.2073 372.052 19.401 355.560 21.400 16.49188       28.88539 
1 1 1 -14 2  17 o 335.698 14.084 24.002  2.0023 25.126  2.7829  22.796  2.8832 342.069 19.289 325.334 21.039 16.73532       28.54326 
1 1 1 -14 2  18 o 190.210 16.733 7.7878  1.3342 10.491  2.1797  6.1685  1.6872 219.367 23.847 167.405 24.526 51.96167       34.20802 
1 1 1 -14 2  19 o 222.189 15.564 10.594  1.4553 7.5689  2.2831  12.665  1.8886 183.857 30.384 242.391 18.539 -58.53476      35.59346 
1 1 1 -14 2  20 o 321.727 14.305 22.102  1.9491 21.100  2.9888  22.844  2.5710 311.567 22.810 325.597 18.724 -14.02957      29.51131 
1 1 1 -14 2  21 o 410.439 31.597 37.517  5.4499 0.0000  0.0000  37.517  5.4499 ?       ?      410.439 31.597 0.000000       31.59738 
1 1 1 -14 2  22 o 361.972 20.897 28.439  3.1898 28.439  3.1898  0.0000  0.0000 361.972 20.897 ?       ?      0.000000       20.89726 
1 1 1 -14 2  23 o 229.516 19.735 11.467  1.8995 15.732  2.4001  4.3173  3.1077 268.528 21.280 136.579 45.691 131.9489       50.40337 
1 1 1 -14 2  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 2  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 2  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 3  1  o 536.401 18.933 61.351  4.3007 61.606  5.2347  60.823  7.5439 536.615 23.035 529.055 33.848 7.560059       40.94254 
1 1 1 -14 3  2  o 417.350 16.454 37.072  2.9082 34.261  4.0465  40.074  4.1824 399.362 24.038 432.291 22.927 -32.92920      33.21890 
1 1 1 -14 3  3  o 147.395 22.370 4.7451  1.3525 5.8403  1.8586  3.5124  1.9719 162.696 27.984 125.623 35.496 37.07264       45.20014 
1 1 1 -14 3  4  o 122.784 24.602 3.3398  1.2347 2.2869  1.7039  4.5039  1.7916 104.296 33.784 141.982 30.692 -37.68584      45.64337 
1 1 1 -14 3  5  o 354.429 16.587 26.732  2.4897 22.727  3.4518  31.075  3.5944 324.786 25.296 380.718 22.392 -55.93179      33.78308 
1 1 1 -14 3  6  o 686.615 18.852 100.470 5.4816 92.046  6.6169  118.898 9.7867 655.947 23.820 742.838 31.110 -86.89142      39.18169 
1 1 1 -14 3  7  o 372.782 23.354 29.833  3.6683 0.0000  0.0000  29.833  3.6683 ?       ?      372.782 23.354 0.000000       23.35389 
1 1 1 -14 3  8  o 567.073 31.313 69.539  7.4907 69.539  7.4907  0.0000  0.0000 567.073 31.313 ?       ?      0.000000       31.31316 
1 1 1 -14 3  9  o 455.020 17.919 44.111  3.4529 43.350  4.1799  45.748  6.1270 450.388 21.915 459.366 31.689 -8.978241      38.52871 
1 1 1 -14 3  10 o 117.008 22.146 3.0217  1.0572 3.6538  1.4492  2.3026  1.5457 128.013 27.548 103.328 32.017 24.68437       42.23736 
1 1 1 -14 3  11 o 178.042 17.908 6.8238  1.3319 6.8568  1.8073  6.7845  1.9705 177.174 24.764 175.644 27.384 1.530197       36.92064 
1 1 1 -14 3  12 o 429.086 15.154 39.182  2.7538 40.709  3.7819  37.460  4.0176 436.462 20.461 417.625 22.802 18.83707       30.63639 
1 1 1 -14 3  13 o 570.457 17.561 69.401  4.2424 73.473  5.0635  59.810  7.7711 586.225 20.396 522.853 35.303 63.37262       40.77113 
1 1 1 -14 3  14 o 118.290 30.023 3.1440  1.5066 0.0000  0.0000  3.1440  1.5066 ?       ?      118.290 30.023 0.000000       30.02319 
1 1 1 -14 3  15 o 480.087 16.455 49.151  3.3456 49.647  4.0673  48.115  5.8828 481.704 19.938 470.398 29.683 11.30524       35.75779 
1 1 1 -14 3  16 o 448.944 16.352 42.996  3.1088 41.623  4.8923  43.927  4.0262 438.333 26.479 452.684 21.002 -14.35089      33.79693 
1 1 1 -14 3  17 o 306.389 16.197 20.087  2.0941 21.640  3.3297  19.071  2.6934 315.792 25.105 297.317 21.538 18.47531       33.07761 
1 1 1 -14 3  18 o 447.046 15.627 42.652  2.9586 40.958  4.7041  43.761  3.8054 434.477 25.680 451.720 19.893 -17.24277      32.48370 
1 1 1 -14 3  19 o 223.372 19.663 10.792  1.8411 10.684  2.2615  11.003  3.1704 220.955 24.585 220.735 35.090 0.2196960      42.84589 
1 1 1 -14 3  20 o 370.393 14.382 29.300  2.2559 28.454  3.4126  29.957  3.0064 362.176 22.359 372.841 19.105 -10.66464      29.40950 
1 1 1 -14 3  21 o 420.600 13.578 37.783  2.4184 38.324  3.7280  37.390  3.1779 421.132 20.903 417.056 17.993 4.076447       27.58061 
1 1 1 -14 3  22 o 233.810 18.000 11.830  1.7686 12.335  2.1276  10.701  3.1816 237.751 21.359 215.465 36.148 22.28635       41.98652 
1 1 1 -14 3  23 o 157.495 27.726 5.6122  1.7817 5.6122  1.7817  0.0000  0.0000 157.495 27.726 ?       ?      0.000000       27.72646 
1 1 1 -14 3  24 o 133.027 26.020 4.0237  1.4134 5.3907  2.0324  2.7435  1.9668 152.118 32.533 110.435 36.326 41.68347       48.76423 
1 1 1 -14 3  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 3  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 4  1  o 403.249 16.575 34.619  2.8305 35.222  3.9560  33.986  4.0517 405.069 23.158 397.630 24.176 7.438599       33.47739 
1 1 1 -14 4  2  o 203.998 19.447 8.9547  1.6597 10.646  2.2599  6.9747  2.4454 221.646 24.485 176.749 33.903 44.89771       41.82023 
1 1 1 -14 4  3  o 523.525 16.240 58.322  3.6006 57.722  5.0011  58.969  5.1882 519.596 22.728 525.042 23.333 -5.446533      32.57287 
1 1 1 -14 4  4  o 171.434 20.494 6.3587  1.4584 5.4131  1.9882  7.4600  2.1458 155.835 31.215 184.277 28.409 -28.44191      42.20752 
1 1 1 -14 4  5  o 523.462 16.117 58.298  3.5728 58.158  4.9708  58.448  5.1386 521.655 22.501 522.800 23.210 -1.145081      32.32625 
1 1 1 -14 4  6  o 190.568 21.834 7.8559  1.7303 5.9572  2.0649  12.333  3.1707 163.730 30.913 236.982 32.445 -73.25134      44.81400 
1 1 1 -14 4  7  o 178.305 28.567 6.9969  2.0843 0.0000  0.0000  6.9969  2.0843 ?       ?      178.305 28.567 0.000000       28.56728 
1 1 1 -14 4  8  o 101.780 32.169 2.2091  1.5522 2.8055  2.0968  1.4862  2.3087 115.254 37.487 100.085 38.562 15.16846       53.78012 
1 1 1 -14 4  9  o 396.184 17.964 33.445  3.0140 33.818  3.6436  32.638  5.3642 397.231 21.742 387.184 33.030 10.04749       39.54384 
1 1 1 -14 4  10 o 114.648 22.586 2.9077  1.0576 3.5118  1.4295  2.1772  1.5719 125.434 27.655 101.317 32.411 24.11746       42.60578 
1 1 1 -14 4  11 o 521.561 15.334 57.886  3.3870 56.915  4.6317  59.002  4.9656 516.008 21.195 525.115 22.329 -9.106323      30.78704 
1 1 1 -14 4  12 o 265.906 15.810 15.107  1.7723 14.115  2.4070  16.282  2.6193 255.807 22.446 274.821 22.709 -19.01401      31.92966 
1 1 1 -14 4  13 o 387.762 21.227 32.269  3.4725 34.517  4.5979  29.283  5.2976 399.359 27.351 365.251 34.664 34.10883       44.15543 
1 1 1 -14 4  14 o 202.697 18.598 8.8468  1.5786 8.1759  2.3967  9.3610  2.0981 192.085 30.480 207.368 24.355 -15.28384      39.01572 
1 1 1 -14 4  15 o 254.892 23.142 14.062  2.4708 0.0000  0.0000  14.062  2.4708 ?       ?      254.892 23.142 0.000000       23.14166 
1 1 1 -14 4  16 o 408.866 19.434 35.775  3.3651 43.646  4.5639  26.398  4.9813 449.744 24.049 345.796 34.476 103.9476       42.03504 
1 1 1 -14 4  17 o 251.126 16.537 13.520  1.7489 12.294  2.7235  14.380  2.2814 236.749 27.687 258.062 21.059 -21.31308      34.78611 
1 1 1 -14 4  18 o 415.928 15.812 36.932  2.7852 43.677  4.3977  32.414  3.5990 449.662 23.173 387.585 22.017 62.07681       31.96474 
1 1 1 -14 4  19 o 444.684 18.721 42.411  3.5256 43.280  4.3597  40.768  5.9933 447.175 23.101 429.025 33.246 18.15085       40.48413 
1 1 1 -14 4  20 o 377.630 14.408 30.461  2.3041 29.907  3.4570  30.903  3.0906 371.397 22.079 378.574 19.342 -7.177643      29.35318 
1 1 1 -14 4  21 o 64.432  22.930 0.7841  0.7875 0.3042  0.9431  1.8890  1.4311 58.763  23.980 93.918  30.990 -35.15573      39.18494 
1 1 1 -14 4  22 o 333.808 32.407 25.043  4.5235 0.0000  0.0000  25.043  4.5235 ?       ?      333.808 32.407 0.000000       32.40707 
1 1 1 -14 4  23 o 200.790 20.024 8.8049  1.6800 10.942  2.0862  4.8623  2.8334 223.257 22.366 142.833 43.179 80.42307       48.62798 
1 1 1 -14 4  24 o 170.888 30.799 6.7154  2.1469 6.7154  2.1469  0.0000  0.0000 170.888 30.799 ?       ?      0.000000       30.79875 
1 1 1 -14 4  25 o 127.643 34.613 3.8693  1.9182 0.0000  0.0000  3.8693  1.9182 ?       ?      127.643 34.613 0.000000       34.61349 
1 1 1 -14 4  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 5  1  o 174.791 23.338 6.6515  1.6844 4.8171  2.0633  10.316  2.9164 146.317 33.954 216.098 32.907 -69.78146      47.28373 
1 1 1 -14 5  2  o 237.672 20.361 12.144  2.0296 11.516  3.4411  12.479  2.5133 227.501 36.987 240.035 25.095 -12.53355      44.69690 
1 1 1 -14 5  3  o 577.367 16.266 70.943  3.9771 71.290  5.5619  70.579  5.6894 577.393 22.746 574.345 23.391 3.048523       32.62688 
1 1 1 -14 5  4  o 353.176 16.474 26.547  2.4640 24.990  3.4175  28.231  3.5559 340.920 23.821 362.570 23.282 -21.65054      33.30877 
1 1 1 -14 5  5  o 366.208 16.229 28.537  2.5169 27.052  3.4571  30.211  3.6716 354.932 23.126 375.139 23.225 -20.20667      32.77522 
1 1 1 -14 5  6  o 348.295 18.881 25.933  2.7745 22.946  3.3200  32.848  5.0520 326.540 24.180 389.236 30.903 -62.69589      39.23813 
1 1 1 -14 5  7  o 276.903 25.043 16.558  2.9049 0.0000  0.0000  16.558  2.9049 ?       ?      276.903 25.043 0.000000       25.04328 
1 1 1 -14 5  8  o 362.054 22.297 28.126  3.4021 26.424  4.6144  30.152  5.0358 348.568 31.603 372.322 32.257 -23.75354      45.15813 
1 1 1 -14 5  9  o 494.436 21.757 52.251  4.5556 50.660  6.1704  54.156  6.7544 483.862 30.264 499.684 32.089 -15.82184      44.10912 
1 1 1 -14 5  10 o 343.527 18.135 25.226  2.6289 21.739  4.2209  27.435  3.3603 315.593 32.025 357.458 22.309 -41.86505      39.02950 
1 1 1 -14 5  11 o 525.735 17.583 58.914  3.9147 52.914  6.3048  62.679  4.9940 494.181 30.272 541.318 21.785 -47.13693      37.29572 
1 1 1 -14 5  12 o 213.860 18.941 9.8374  1.6977 7.8532  2.7185  11.106  2.1737 187.039 35.621 226.552 22.974 -39.51297      42.38752 
1 1 1 -14 5  13 o 156.305 25.979 5.3899  1.6593 7.3752  2.2468  3.0081  2.4609 182.407 30.139 120.302 40.658 62.10509       50.61010 
1 1 1 -14 5  14 o 359.189 17.078 27.521  2.5978 26.658  4.0679  28.115  3.3759 350.415 27.636 361.487 22.159 -11.07263      35.42308 
1 1 1 -14 5  15 o 574.922 22.090 70.907  5.3784 0.0000  0.0000  70.907  5.3784 ?       ?      574.922 22.090 0.000000       22.09043 
1 1 1 -14 5  16 o 562.427 19.629 67.716  4.6754 68.647  6.2344  66.519  7.0678 563.930 26.105 552.525 30.322 11.40479       40.01076 
1 1 1 -14 5  17 o 165.175 18.590 5.9091  1.2778 6.9463  2.0156  5.2121  1.6523 177.069 27.795 153.227 26.416 23.84195       38.34513 
1 1 1 -14 5  18 o 702.196 16.328 105.336 4.8555 101.094 7.5740  108.295 6.3265 683.203 26.178 709.926 21.043 -26.72351      33.58693 
1 1 1 -14 5  19 o 237.796 19.657 12.226  1.9618 12.129  2.4185  12.413  3.3546 235.482 24.616 234.660 34.812 0.8211823      42.63606 
1 1 1 -14 5  20 o 233.248 14.962 11.677  1.4701 12.566  2.2154  10.978  1.9651 240.170 22.027 224.680 20.892 15.49074       30.35877 
1 1 1 -14 5  21 o 309.384 13.904 20.456  1.8217 21.175  2.7471  19.891  2.4338 312.323 20.890 303.302 19.045 9.021240       28.26847 
1 1 1 -14 5  22 o 401.552 18.027 34.711  3.0655 40.602  3.7305  22.461  5.3793 433.331 20.328 309.911 42.074 123.4194       46.72791 
1 1 1 -14 5  23 o 152.447 35.875 5.4608  2.2775 0.0000  0.0000  5.4608  2.2775 ?       ?      152.447 35.875 0.000000       35.87549 
1 1 1 -14 5  24 o 122.051 24.286 3.3766  1.2111 3.7627  1.5786  2.8243  1.8882 127.392 29.793 111.230 35.516 16.16170       46.35711 
1 1 1 -14 5  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 5  26 o 112.048 33.065 2.9448  1.6767 0.0000  0.0000  2.9448  1.6767 ?       ?      112.048 33.065 0.000000       33.06536 
1 1 1 -14 6  1  o 330.896 19.403 23.441  2.7071 23.103  3.2939  24.145  4.7520 327.564 23.910 332.081 34.283 -4.517090      41.79734 
1 1 1 -14 6  2  o 327.643 19.578 22.984  2.7041 19.945  4.5848  24.605  3.3486 300.843 36.750 338.236 23.524 -37.39255      43.63424 
1 1 1 -14 6  3  f 896.792 17.041 171.258 6.4719 177.327 9.0471  164.897 9.2619 910.247 23.470 877.166 24.933 33.08136       34.24143 
1 1 1 -14 6  4  o 189.064 19.323 7.7008  1.5254 10.141  2.1702  5.3175  2.1446 216.350 24.095 153.907 33.826 62.44313       41.53078 
1 1 1 -14 6  5  o 369.765 16.132 29.095  2.5262 31.779  3.5220  26.251  3.6253 385.085 21.685 349.236 24.671 35.84872       32.84657 
1 1 1 -14 6  6  o 659.766 22.782 93.086  6.3654 95.847  8.7066  89.915  9.3298 666.759 30.834 643.560 34.357 23.19867       46.16433 
1 1 1 -14 6  7  o 765.549 33.969 126.864 11.013 0.0000  0.0000  126.864 11.013 ?       ?      765.549 33.969 0.000000       33.96882 
1 1 1 -14 6  8  o 607.201 21.965 78.811  5.6483 66.416  7.6657  93.533  8.3544 553.286 32.863 658.832 29.943 -105.5455      44.45885 
1 1 1 -14 6  9  o 275.578 35.593 16.742  4.0568 0.0000  0.0000  16.742  4.0568 ?       ?      275.578 35.593 0.000000       35.59291 
1 1 1 -14 6  10 o 256.453 18.895 14.105  2.0376 12.587  3.2409  15.097  2.6203 239.039 32.885 264.452 23.647 -25.41313      40.50445 
1 1 1 -14 6  11 f 863.339 18.637 159.027 6.8139 166.218 11.009  154.562 8.6753 877.596 29.622 848.965 24.130 28.63129       38.20584 
1 1 1 -14 6  12 o 235.534 19.042 11.920  1.8831 9.1311  2.9952  13.743  2.4215 201.775 36.392 252.240 22.919 -50.46465      43.00712 
1 1 1 -14 6  13 o 226.040 22.980 11.066  2.1692 12.085  2.7976  9.5296  3.4349 234.921 28.718 204.689 41.054 30.23108       50.10180 
1 1 1 -14 6  14 o 358.798 17.214 27.467  2.6156 31.433  4.0737  24.686  3.4116 381.340 25.370 338.136 23.980 43.20416       34.90973 
1 1 1 -14 6  15 o 277.915 22.891 16.695  2.6701 0.0000  0.0000  16.695  2.6701 ?       ?      277.915 22.891 0.000000       22.89055 
1 1 1 -14 6  16 o 718.670 22.445 110.956 6.8312 0.0000  0.0000  110.956 6.8312 ?       ?      718.670 22.445 0.000000       22.44536 
1 1 1 -14 6  17 o 314.886 19.485 21.320  2.5856 21.808  3.4541  20.699  3.8994 316.628 25.989 306.926 30.400 9.702026       39.99471 
1 1 1 -14 6  18 o 238.818 16.290 12.241  1.6377 10.915  2.4560  13.302  2.1977 222.930 26.536 247.906 21.135 -24.97560      33.92386 
1 1 1 -14 6  19 o 567.500 18.873 69.127  4.5357 72.881  5.6362  62.228  7.6405 580.850 22.913 529.341 34.267 51.50952       41.22211 
1 1 1 -14 6  20 o 225.163 14.930 10.886  1.4156 11.574  2.1282  10.341  1.8957 230.354 22.087 217.997 20.786 12.35738       30.32969 
1 1 1 -14 6  21 o 311.142 13.984 20.694  1.8426 20.307  2.7652  21.003  2.4711 305.555 21.506 311.737 18.806 -6.182556      28.56905 
1 1 1 -14 6  22 o 300.475 17.978 19.503  2.2772 20.821  2.7756  16.788  3.9826 309.281 21.322 271.009 35.559 38.27124       41.46177 
1 1 1 -14 6  23 o 137.930 21.517 4.2235  1.2158 3.8486  1.5384  4.8472  1.9844 129.481 28.800 144.266 33.173 -14.78519      43.93060 
1 1 1 -14 6  24 o 128.400 34.621 3.8919  1.9256 0.0000  0.0000  3.8919  1.9256 ?       ?      128.400 34.621 0.000000       34.62141 
1 1 1 -14 6  25 o 103.742 32.656 2.4629  1.6009 0.0000  0.0000  2.4629  1.6009 ?       ?      103.742 32.656 0.000000       32.65645 
1 1 1 -14 6  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 7  1  o 444.461 23.171 42.408  4.3462 50.095  6.1695  34.836  6.1237 480.857 30.454 398.508 36.698 82.34888       47.68811 
1 1 1 -14 7  2  o 450.101 18.920 43.210  3.6064 36.085  6.1014  47.036  4.4710 406.092 35.846 468.900 22.515 -62.80719      42.33062 
1 1 1 -14 7  3  o 599.419 18.879 76.622  4.7924 75.572  8.1130  77.185  5.9394 590.349 32.577 600.494 23.356 -10.14508      40.08448 
1 1 1 -14 7  4  o 464.686 18.574 46.033  3.6552 45.479  6.1644  46.334  4.5393 457.805 31.997 465.358 23.034 -7.553314      39.42522 
1 1 1 -14 7  5  f 230.570 20.229 11.432  1.9553 11.632  3.2216  11.315  2.4602 229.439 34.201 228.267 25.908 1.171906       42.90636 
1 1 1 -14 7  6  o 571.164 22.397 69.756  5.4176 73.097  7.3898  65.873  7.9657 581.673 30.102 550.444 34.343 31.22870       45.66848 
1 1 1 -14 7  7  o 140.929 29.481 4.4319  1.7029 4.8618  2.3841  3.9841  2.4333 146.726 38.048 134.032 39.902 12.69398       55.13427 
1 1 1 -14 7  8  o 484.519 22.878 50.233  4.6942 0.0000  0.0000  50.233  4.6942 ?       ?      484.519 22.878 0.000000       22.87759 
1 1 1 -14 7  9  f 198.340 38.113 8.8450  3.0849 0.0000  0.0000  8.8450  3.0849 ?       ?      198.340 38.113 0.000000       38.11255 
1 1 1 -14 7  10 o 471.145 17.824 47.324  3.5563 42.004  5.6314  50.852  4.5867 440.056 30.404 487.480 22.218 -47.42471      37.65692 
1 1 1 -14 7  11 o 665.239 17.986 94.386  5.0670 101.014 8.1088  90.140  6.4902 684.716 27.964 648.407 23.636 36.30847       36.61459 
1 1 1 -14 7  12 o 530.859 17.526 60.103  3.9401 59.976  6.1934  60.190  5.1067 526.723 27.864 529.939 22.755 -3.216187      35.97510 
1 1 1 -14 7  13 o 480.283 20.779 49.368  4.2263 52.257  5.5204  45.276  6.5695 491.793 26.605 454.603 34.378 37.18967       43.47020 
1 1 1 -14 7  14 o 124.155 24.036 3.4219  1.2181 3.9956  1.9121  3.0301  1.5803 132.875 33.877 116.173 31.381 16.70200       46.17810 
1 1 1 -14 7  15 o 569.906 17.047 69.328  4.1143 70.299  6.3740  68.634  5.3867 570.712 26.372 565.375 22.498 5.337891       34.66511 
1 1 1 -14 7  16 o 493.682 30.492 53.201  6.3437 0.0000  0.0000  53.201  6.3437 ?       ?      493.682 30.492 0.000000       30.49200 
1 1 1 -14 7  17 o 549.331 19.480 64.663  4.5319 65.181  5.9856  63.968  6.9372 549.106 25.740 541.014 30.402 8.091919       39.83481 
1 1 1 -14 7  18 o 364.829 15.728 28.426  2.4299 25.337  3.5743  31.080  3.3134 341.406 24.893 379.764 20.680 -38.35812      32.36260 
1 1 1 -14 7  19 o 330.902 18.615 23.573  2.5979 22.891  3.1515  25.020  4.5893 324.635 23.074 335.340 32.733 -10.70520      40.04818 
1 1 1 -14 7  20 o 327.570 14.469 22.934  2.0072 22.952  2.9717  22.918  2.7219 325.142 21.706 325.561 19.837 -0.4191284     29.40515 
1 1 1 -14 7  21 f 386.767 14.147 31.987  2.3171 33.336  3.4557  30.885  3.1233 392.066 20.888 377.881 19.584 14.18536       28.63331 
1 1 1 -14 7  22 o 413.870 17.864 36.876  3.1310 41.034  3.8564  28.832  5.3634 435.254 20.921 355.611 36.115 79.64307       41.73762 
1 1 1 -14 7  23 o 153.269 20.630 5.1801  1.3050 4.9395  1.6682  5.5597  2.0952 147.365 27.748 154.680 32.992 -7.314972      43.10941 
1 1 1 -14 7  24 f 203.934 20.979 9.1486  1.7860 11.730  2.3550  5.6545  2.7399 229.668 24.596 152.274 41.399 77.39410       48.15454 
1 1 1 -14 7  25 o 250.209 31.665 14.394  3.2802 0.0000  0.0000  14.394  3.2802 ?       ?      250.209 31.665 0.000000       31.66538 
1 1 1 -14 7  26 o 151.971 33.808 5.4867  2.1196 0.0000  0.0000  5.4867  2.1196 ?       ?      151.971 33.808 0.000000       33.80775 
1 1 1 -14 8  1  o 354.201 23.935 27.008  3.5693 21.032  4.8178  34.277  5.3140 308.457 37.664 396.865 31.887 -88.40771      49.34953 
1 1 1 -14 8  2  f 338.648 19.410 24.552  2.7721 27.041  4.6917  23.218  3.4360 352.326 31.787 328.110 24.914 24.21613       40.38708 
1 1 1 -14 8  3  o 719.075 19.042 110.300 5.7987 114.549 9.7370  107.964 7.2183 728.116 31.578 709.881 24.011 18.23560       39.66940 
1 1 1 -14 8  4  o 156.409 23.586 5.3513  1.5137 3.3272  2.4284  6.6375  1.9358 124.739 40.324 173.768 27.198 -49.02956      48.63928 
1 1 1 -14 8  5  o 299.298 19.151 19.184  2.4147 17.348  4.0167  20.223  3.0217 280.946 34.484 306.483 23.459 -25.53735      41.70708 
1 1 1 -14 8  6  o 282.356 24.168 17.200  2.8620 15.507  3.7658  19.515  4.4036 265.452 34.301 297.856 35.617 -32.40463      49.44822 
1 1 1 -14 8  7  o 96.248  32.075 1.9020  1.5316 2.3731  2.0141  1.2560  2.3584 108.155 36.780 98.081  38.631 10.07412       53.34016 
1 1 1 -14 8  8  o 336.575 23.675 24.381  3.3530 0.0000  0.0000  24.381  3.3530 ?       ?      336.575 23.675 0.000000       23.67472 
1 1 1 -14 8  9  o 372.279 32.573 30.221  5.0836 0.0000  0.0000  30.221  5.0836 ?       ?      372.279 32.573 0.000000       32.57275 
1 1 1 -14 8  10 o 131.343 26.032 3.8329  1.3968 3.4335  2.3721  4.0449  1.7281 125.728 39.772 134.195 31.028 -8.467484      50.44342 
1 1 1 -14 8  11 o 681.639 17.921 99.110  5.1733 102.890 8.2579  96.669  6.6371 690.774 28.229 671.477 23.340 19.29633       36.62790 
1 1 1 -14 8  12 f 335.607 17.775 24.097  2.5173 23.306  3.9259  24.649  3.2805 327.376 28.604 338.274 23.037 -10.89783      36.72733 
1 1 1 -14 8  13 o 239.580 22.603 12.416  2.2662 12.104  2.9024  12.905  3.6274 234.682 29.881 240.290 36.820 -5.607697      47.41912 
1 1 1 -14 8  14 o 190.465 19.235 7.8340  1.5302 6.8129  2.3164  8.6246  2.0383 174.307 32.577 198.740 24.755 -24.43300      40.91572 
1 1 1 -14 8  15 o 125.717 24.357 3.5137  1.2499 4.8211  1.8646  2.4469  1.6844 146.290 31.057 106.249 33.504 40.04111       45.68460 
1 1 1 -14 8  16 o 291.047 17.544 18.166  2.1522 19.430  3.2942  17.224  2.8429 298.754 26.305 281.805 24.052 16.94907       35.64339 
1 1 1 -14 8  17 o 235.054 23.575 12.021  2.3151 0.0000  0.0000  12.021  2.3151 ?       ?      235.054 23.575 0.000000       23.57481 
1 1 1 -14 8  18 o 175.795 19.601 6.7121  1.4344 4.8539  1.8482  9.5267  2.2747 146.386 30.789 207.995 26.420 -61.60887      40.57096 
1 1 1 -14 8  19 o 233.902 19.131 11.831  1.8784 11.590  2.3217  12.289  3.1962 230.061 24.192 233.716 33.229 -3.654861      41.10229 
1 1 1 -14 8  20 o 233.868 15.320 11.755  1.5089 12.272  2.2693  11.344  2.0203 236.879 22.908 228.215 21.144 8.663925       31.17394 
1 1 1 -14 8  21 o 561.888 12.754 67.395  3.0349 64.590  5.1601  68.879  3.7526 545.540 22.335 566.892 15.631 -21.35205      27.26147 
1 1 1 -14 8  22 o 521.936 17.941 58.671  3.9655 59.574  4.9097  56.977  6.7255 523.636 22.140 504.639 31.630 18.99692       38.60892 
1 1 1 -14 8  23 o 119.308 23.617 3.2130  1.1510 2.5077  1.4771  4.3032  1.8365 104.812 31.062 135.884 32.375 -31.07186      44.86655 
1 1 1 -14 8  24 o 181.932 22.117 7.3344  1.6690 8.7840  2.2530  5.5715  2.4845 196.988 27.778 151.964 38.547 45.02428       47.51318 
1 1 1 -14 8  25 o 226.218 22.648 11.343  2.1406 11.782  3.1568  10.970  2.9124 224.458 34.299 217.412 32.640 7.046463       47.34728 
1 1 1 -14 8  26 o 243.033 30.719 13.568  3.0911 0.0000  0.0000  13.568  3.0911 ?       ?      243.033 30.719 0.000000       30.71925 
1 1 1 -14 9  1  o 307.487 25.000 20.421  3.2272 16.877  4.3600  24.717  4.7996 275.531 38.410 335.781 34.231 -60.24994      51.44965 
1 1 1 -14 9  2  o 302.488 20.100 19.626  2.5601 18.308  4.2657  20.368  3.2006 288.118 35.727 307.163 24.817 -19.04465      43.50065 
1 1 1 -14 9  3  o 519.380 18.759 57.542  4.1261 55.095  6.7878  58.977  5.1964 503.753 31.984 524.746 23.383 -20.99313      39.61979 
1 1 1 -14 9  4  o 149.974 26.532 4.9699  1.6235 3.2868  2.5673  6.0914  2.0957 125.023 41.520 165.405 31.059 -40.38177      51.85149 
1 1 1 -14 9  5  o 590.237 18.561 74.294  4.6396 73.285  7.5719  74.901  5.8707 581.827 30.840 591.396 23.441 -9.569824      38.73758 
1 1 1 -14 9  6  o 207.605 25.651 9.3848  2.2072 9.7542  2.9112  8.8854  3.3852 209.655 33.949 197.854 41.715 11.80147       53.78370 
1 1 1 -14 9  7  o 234.706 24.999 11.945  2.4466 13.128  3.2253  10.343  3.7546 244.465 31.916 213.417 43.028 31.04865       53.57258 
1 1 1 -14 9  8  o 210.294 26.700 9.6514  2.3242 0.0000  0.0000  9.6514  2.3242 ?       ?      210.294 26.700 0.000000       26.69951 
1 1 1 -14 9  9  o 527.440 33.453 60.577  7.4335 0.0000  0.0000  60.577  7.4335 ?       ?      527.440 33.453 0.000000       33.45272 
1 1 1 -14 9  10 o 112.301 29.940 2.8198  1.4499 0.4897  2.1531  4.7530  1.9612 86.534  35.867 145.313 32.663 -58.77958      48.51139 
1 1 1 -14 9  11 o 554.076 17.486 65.476  4.1030 62.748  6.4590  67.321  5.3125 538.544 28.421 560.548 22.379 -22.00446      36.17423 
1 1 1 -14 9  12 o 310.375 17.993 20.629  2.3549 16.642  3.6568  23.454  3.0781 275.174 31.976 330.098 22.147 -54.92398      38.89674 
1 1 1 -14 9  13 o 435.397 20.666 40.586  3.8106 48.892  4.9963  29.038  5.8916 476.089 24.867 361.341 39.126 114.7482       46.35951 
1 1 1 -14 9  14 o 587.076 17.170 73.569  4.2689 77.528  6.6447  70.786  5.5706 599.497 26.173 574.074 22.913 25.42267       34.78547 
1 1 1 -14 9  15 o 168.234 21.506 6.1673  1.4971 6.1532  2.3444  6.1770  1.9454 164.753 34.698 166.654 28.594 -1.901443      44.96206 
1 1 1 -14 9  16 o 225.955 17.840 10.982  1.6932 10.962  2.6154  10.997  2.2216 223.151 28.312 224.784 23.695 -1.632965      36.91902 
1 1 1 -14 9  17 o 474.816 21.748 48.491  4.3732 0.0000  0.0000  48.491  4.3732 ?       ?      474.816 21.748 0.000000       21.74844 
1 1 1 -14 9  18 o 495.471 21.418 52.864  4.4940 0.0000  0.0000  52.864  4.4940 ?       ?      495.471 21.418 0.000000       21.41772 
1 1 1 -14 9  19 o 311.054 22.827 21.041  2.9859 21.041  2.9859  0.0000  0.0000 311.054 22.827 ?       ?      0.000000       22.82671 
1 1 1 -14 9  20 o 234.587 15.388 11.832  1.5203 11.739  2.2163  11.914  2.0894 231.562 22.900 233.794 21.338 -2.231842      31.30066 
1 1 1 -14 9  21 o 421.821 12.448 37.973  2.2237 41.841  3.8305  36.006  2.7310 439.829 20.565 409.800 15.736 30.02948       25.89497 
1 1 1 -14 9  22 o 332.385 18.057 23.873  2.5322 26.973  3.1493  18.203  4.2591 352.044 21.223 281.324 36.617 70.72009       42.32266 
1 1 1 -14 9  23 o 123.554 23.511 3.4416  1.1852 4.1179  1.5258  2.4127  1.8820 134.113 27.779 105.028 35.555 29.08496       45.11999 
1 1 1 -14 9  24 o 214.229 21.557 10.120  1.9291 13.016  2.6807  7.0100  2.7783 240.792 26.740 170.182 39.337 70.61066       47.56548 
1 1 1 -14 9  25 o 130.366 33.494 4.0402  1.8590 0.0000  0.0000  4.0402  1.8590 ?       ?      130.366 33.494 0.000000       33.49389 
1 1 1 -14 9  26 o 115.526 31.088 3.1405  1.5544 6.1795  2.9679  1.9917  1.8247 157.036 43.252 97.397  34.879 59.63920       55.56278 
1 1 1 -14 10 1  o 307.294 24.595 20.390  3.1738 0.0000  0.0000  20.390  3.1738 ?       ?      307.294 24.595 0.000000       24.59467 
1 1 1 -14 10 2  o 277.526 24.489 16.647  2.8486 16.915  3.8161  16.310  4.2809 277.481 33.130 270.755 38.412 6.725739       50.72552 
1 1 1 -14 10 3  o 504.112 18.587 54.214  3.9682 45.143  6.4350  59.780  5.0407 455.026 33.632 528.436 22.524 -73.41000      40.47789 
1 1 1 -14 10 4  o 185.201 23.316 7.4589  1.7882 7.4089  2.8003  7.4934  2.3236 181.160 37.726 183.882 30.937 -2.722092      48.78904 
1 1 1 -14 10 5  o 384.587 18.786 31.555  3.0596 25.840  4.8476  35.339  3.9446 343.644 33.746 405.592 23.061 -61.94824      40.87235 
1 1 1 -14 10 6  o 388.595 22.311 32.419  3.6563 31.680  4.8570  33.386  5.5544 381.934 30.277 390.934 33.885 -9.000061      45.44096 
1 1 1 -14 10 7  o 894.954 23.049 171.549 8.7357 170.624 11.730  172.701 13.090 888.350 31.180 891.569 34.669 -3.219055      46.62701 
1 1 1 -14 10 8  o 433.017 18.063 39.989  3.3125 39.950  5.2206  40.015  4.2856 429.511 28.869 431.464 23.543 -1.953247      37.25206 
1 1 1 -14 10 9  o 524.986 23.037 59.062  5.1218 0.0000  0.0000  59.062  5.1218 ?       ?      524.986 23.037 0.000000       23.03730 
1 1 1 -14 10 10 o 197.177 25.533 8.4903  2.0820 8.5977  2.7705  8.3509  3.1556 196.098 34.628 191.701 40.156 4.396698       53.02449 
1 1 1 -14 10 11 o 506.031 17.433 54.623  3.7358 59.725  5.8959  51.200  4.8289 525.953 26.556 488.497 23.342 37.45642       35.35667 
1 1 1 -14 10 12 o 199.638 20.122 8.6097  1.6780 8.5900  2.5930  8.6239  2.2010 196.454 32.289 198.283 26.907 -1.829010      42.03036 
1 1 1 -14 10 13 o 375.695 20.597 30.313  3.2645 30.774  4.2555  29.653  5.0891 376.722 26.849 367.550 33.048 9.172729       42.58030 
1 1 1 -14 10 14 o 636.807 17.224 86.582  4.6450 85.533  7.1983  87.331  6.0803 629.155 27.016 637.691 22.515 -8.536133      35.16817 
1 1 1 -14 10 15 o 226.796 18.347 11.069  1.7470 10.514  2.7305  11.455  2.2733 217.946 30.412 229.521 23.730 -11.57486      38.57462 
1 1 1 -14 10 16 o 411.928 17.085 36.261  2.9804 43.484  4.6808  31.337  3.8651 448.204 24.757 380.498 24.111 67.70554       34.55770 
1 1 1 -14 10 17 o 194.603 18.668 8.1868  1.5196 6.2537  2.4309  9.4267  1.9469 165.329 35.760 208.050 22.453 -42.72078      42.22469 
1 1 1 -14 10 18 o 438.980 21.715 41.547  4.0369 0.0000  0.0000  41.547  4.0369 ?       ?      438.980 21.715 0.000000       21.71489 
1 1 1 -14 10 19 o 320.892 18.321 22.193  2.4794 21.001  3.0305  24.606  4.3120 310.479 23.217 332.725 30.957 -22.24622      38.69545 
1 1 1 -14 10 20 o 320.283 17.423 22.103  2.3544 20.110  2.9775  25.428  3.8458 303.362 23.356 339.646 26.959 -36.28372      35.66938 
1 1 1 -14 10 21 o 203.314 13.207 8.8677  1.1310 9.5189  2.0085  8.5654  1.3686 207.977 23.200 199.107 16.377 8.870361       28.39771 
1 1 1 -14 10 22 o 344.759 18.148 25.695  2.6403 29.227  3.3074  19.488  4.3842 366.310 21.413 291.135 36.351 75.17474       42.18937 
1 1 1 -14 10 23 o 198.240 19.973 8.6090  1.6539 10.812  2.1401  5.3417  2.6061 221.178 23.193 148.740 40.349 72.43826       46.54038 
1 1 1 -14 10 24 o 102.535 27.683 2.4269  1.2301 1.9631  2.0065  2.7061  1.5571 98.975  36.412 107.975 31.864 -9.000656      48.38578 
1 1 1 -14 10 25 o 339.402 28.987 26.092  4.1264 0.0000  0.0000  26.092  4.1264 ?       ?      339.402 28.987 0.000000       28.98685 
1 1 1 -14 10 26 o 134.340 29.874 4.2230  1.6556 5.7924  3.1057  3.5999  1.9569 151.477 45.075 122.724 35.581 28.75361       57.42649 
1 1 1 -14 11 1  o 535.728 23.868 61.570  5.4151 0.0000  0.0000  61.570  5.4151 ?       ?      535.728 23.868 0.000000       23.86819 
1 1 1 -14 11 2  o 564.411 22.616 68.236  5.4058 63.281  7.3896  73.940  7.9286 539.345 32.505 583.268 32.223 -43.92358      45.77005 
1 1 1 -14 11 3  o 526.971 18.550 59.255  4.1397 52.013  6.7275  63.668  5.2516 488.784 32.689 545.192 22.746 -56.40823      39.82399 
1 1 1 -14 11 4  o 215.487 21.504 10.029  1.9362 8.1570  3.0887  11.240  2.4850 189.688 39.723 227.212 26.313 -37.52428      47.64729 
1 1 1 -14 11 5  o 411.292 18.612 36.094  3.2418 35.960  5.1751  36.180  4.1588 406.946 30.245 410.063 24.054 -3.117126      38.64359 
1 1 1 -14 11 6  o 715.375 18.531 109.189 5.6142 118.246 9.0924  103.609 7.1372 740.403 28.998 694.984 24.250 45.41858       37.80123 
1 1 1 -14 11 7  o 146.905 25.255 4.7607  1.5146 4.6970  2.2883  4.8104  2.0204 144.036 37.240 146.108 33.384 -2.071930      50.01298 
1 1 1 -14 11 8  o 774.867 18.436 128.124 6.0496 128.576 9.7455  127.840 7.7163 771.433 29.831 772.110 23.599 -0.6769409     38.03628 
1 1 1 -14 11 9  o 352.468 23.759 26.770  3.5258 0.0000  0.0000  26.770  3.5258 ?       ?      352.468 23.759 0.000000       23.75934 
1 1 1 -14 11 10 o 172.497 21.690 6.4690  1.5494 7.3980  2.3989  5.8040  2.0296 182.111 32.287 161.172 30.860 20.93893       44.66260 
1 1 1 -14 11 11 o 476.657 20.744 48.630  4.1874 51.122  5.4963  45.183  6.4645 486.282 26.793 454.279 33.845 32.00238       43.16666 
1 1 1 -14 11 12 o 512.861 17.312 56.132  3.7600 53.906  5.8302  57.718  4.9199 498.837 27.707 518.692 22.398 -19.85513      35.62794 
1 1 1 -14 11 13 o 300.423 21.151 19.438  2.6738 18.014  3.4881  21.466  4.1635 286.988 29.102 312.572 31.901 -25.58435      43.18078 
1 1 1 -14 11 14 o 373.877 20.534 30.045  3.2388 31.863  4.2251  27.455  5.0434 383.305 26.185 352.709 34.194 30.59598       43.06849 
1 1 1 -14 11 15 o 202.279 19.207 8.8372  1.6256 8.2243  2.5738  9.2439  2.0967 191.498 32.924 205.683 24.557 -14.18517      41.07357 
1 1 1 -14 11 16 o 255.557 18.504 14.054  1.9890 15.736  3.2061  13.002  2.5360 267.615 28.740 244.152 24.875 23.46295       38.00979 
1 1 1 -14 11 17 o 337.610 19.007 24.521  2.7064 22.698  3.3455  27.974  4.6039 323.037 24.641 356.266 30.818 -33.22925      39.45800 
1 1 1 -14 11 18 o 373.085 15.672 29.765  2.4761 31.127  3.5461  28.470  3.4591 379.052 22.188 362.282 22.660 16.77014       31.71371 
1 1 1 -14 11 19 f 239.463 34.192 12.996  3.3690 0.0000  0.0000  12.996  3.3690 ?       ?      239.463 34.192 0.000000       34.19226 
1 1 1 -14 11 20 o 313.182 15.314 21.011  2.0311 21.277  2.9653  20.776  2.7877 312.308 22.572 309.032 21.433 3.275391       31.12709 
1 1 1 -14 11 21 o 132.105 17.767 3.8204  0.9688 4.3240  1.6488  3.5549  1.1972 137.471 29.222 125.931 23.307 11.54048       37.37800 
1 1 1 -14 11 22 o 249.046 23.739 13.666  2.4734 13.666  2.4734  0.0000  0.0000 249.046 23.739 ?       ?      0.000000       23.73905 
1 1 1 -14 11 23 o 139.066 23.645 4.3482  1.3427 3.0984  1.7209  6.2925  2.1465 115.296 33.349 164.660 31.935 -49.36405      46.17381 
1 1 1 -14 11 24 o 156.529 25.737 5.5573  1.6467 5.9991  2.3968  5.1623  2.2663 158.111 36.530 146.480 36.630 11.63156       51.73195 
1 1 1 -14 11 25 o 201.684 21.311 9.0000  1.7926 7.5350  2.5020  10.545  2.5696 178.404 34.362 214.808 28.988 -36.40385      44.95597 
1 1 1 -14 12 1  o 469.811 24.071 47.499  4.7731 0.0000  0.0000  47.499  4.7731 ?       ?      469.811 24.071 0.000000       24.07090 
1 1 1 -14 12 2  o 287.852 24.049 17.901  2.9048 14.744  3.7965  22.359  4.5113 257.826 35.731 319.038 33.910 -61.21201      49.26019 
1 1 1 -14 12 3  o 164.282 25.119 5.9251  1.6921 4.2453  2.6217  7.1244  2.2152 137.946 41.497 179.231 30.263 -41.28542      51.36010 
1 1 1 -14 12 4  o 130.359 27.244 3.7915  1.4556 2.6975  2.1445  4.7260  1.9821 113.722 37.956 144.816 33.049 -31.09467      50.32787 
1 1 1 -14 12 5  o 310.521 18.947 20.660  2.4797 17.591  3.9323  22.686  3.1949 282.792 33.485 324.475 23.408 -41.68350      40.85568 
1 1 1 -14 12 6  o 406.218 18.015 35.202  3.0991 30.387  4.9399  38.327  3.9796 373.325 31.541 422.457 22.323 -49.13168      38.64127 
1 1 1 -14 12 7  o 715.547 22.008 109.641 6.6692 109.361 8.9375  109.992 10.018 711.395 29.666 711.615 33.242 -0.2201538     44.55480 
1 1 1 -14 12 8  o 316.358 18.633 21.439  2.4854 15.535  3.9079  25.449  3.2206 264.698 35.779 343.973 22.228 -79.27472      42.12147 
1 1 1 -14 12 9  o 237.313 19.182 12.108  1.9113 6.8322  2.9998  15.713  2.4798 172.741 41.520 269.989 21.877 -97.24768      46.93115 
1 1 1 -14 12 10 o 125.630 41.272 3.3790  2.5392 0.0000  0.0000  3.3790  2.5392 ?       ?      125.630 41.272 0.000000       41.27189 
1 1 1 -14 12 11 o 124.536 30.234 3.4927  1.5785 3.5612  2.0937  3.4024  2.4030 126.146 36.870 125.088 40.078 1.058296       54.45800 
1 1 1 -14 12 12 o 275.876 18.486 16.335  2.1473 17.208  3.2728  15.676  2.8453 280.839 27.887 268.641 25.309 12.19855       37.65916 
1 1 1 -14 12 13 o 477.280 17.110 48.634  3.4582 43.432  5.3097  52.466  4.5575 447.075 28.189 494.475 21.764 -47.40051      35.61257 
1 1 1 -14 12 14 o 605.636 20.335 78.619  5.2155 85.577  6.8423  68.971  8.0576 629.612 25.662 560.203 34.126 69.40845       42.69813 
1 1 1 -14 12 15 o 265.088 18.259 15.105  2.0373 14.559  3.2130  15.471  2.6347 256.987 30.093 267.005 23.541 -10.01834      38.20702 
1 1 1 -14 12 16 o 176.456 21.120 6.7838  1.5469 8.3826  2.5127  5.8081  1.9629 193.398 31.784 160.812 29.924 32.58669       43.65416 
1 1 1 -14 12 17 o 96.184  24.209 2.0786  0.9854 0.2841  1.4296  3.7031  1.3601 69.900  29.120 128.469 25.894 -58.56926      38.96808 
1 1 1 -14 12 18 o 481.866 15.607 49.672  3.1848 44.921  4.5892  54.086  4.4234 454.542 23.925 500.821 20.856 -46.27939      31.73933 
1 1 1 -14 12 19 o 211.340 14.944 9.6031  1.3289 8.6882  2.1112  10.203  1.7101 197.980 25.793 216.944 18.800 -18.96396      31.91747 
1 1 1 -14 12 20 f 441.968 19.578 42.167  3.6645 0.0000  0.0000  42.167  3.6645 ?       ?      441.968 19.578 0.000000       19.57838 
1 1 1 -14 12 21 o 241.233 16.046 12.546  1.6299 0.0000  0.0000  12.546  1.6299 ?       ?      241.233 16.046 0.000000       16.04567 
1 1 1 -14 12 22 o 157.804 15.514 5.3971  1.0234 9.7285  1.9956  3.8515  1.1920 210.020 22.803 131.305 22.230 78.71533       31.84599 
1 1 1 -14 12 23 o 131.747 35.015 4.1191  1.9870 4.1191  1.9870  0.0000  0.0000 131.747 35.015 ?       ?      0.000000       35.01477 
1 1 1 -14 12 24 f 153.192 25.562 5.3280  1.5999 5.1899  2.2849  5.4610  2.2410 146.648 36.839 150.960 35.628 -4.312515      51.24880 
1 1 1 -14 12 25 o 71.300  26.872 0.8858  1.1055 -0.3788 1.6410  1.9367  1.4959 66.070  29.339 93.920  31.699 -27.85079      43.19297 
1 1 1 -14 13 1  o 404.037 18.845 34.867  3.2244 34.941  5.2305  34.822  4.0952 400.391 31.091 401.966 24.169 -1.575775      39.38032 
1 1 1 -14 13 2  o 304.919 25.322 20.123  3.2403 0.0000  0.0000  20.123  3.2403 ?       ?      304.919 25.322 0.000000       25.32236 
1 1 1 -14 13 3  o 617.437 22.122 81.670  5.7844 69.768  7.7790  96.389  8.6511 565.990 32.592 667.245 30.615 -101.2552      44.71633 
1 1 1 -14 13 4  o 365.214 18.701 28.551  2.8827 27.551  4.6298  29.183  3.6839 355.391 31.074 368.044 23.763 -12.65250      39.11874 
1 1 1 -14 13 5  o 322.688 18.917 22.311  2.5738 23.204  4.0745  21.718  3.3200 326.328 29.813 316.983 24.933 9.344879       38.86442 
1 1 1 -14 13 6  o 172.391 24.229 6.5004  1.7200 5.2734  2.7422  7.2963  2.2085 152.171 41.435 181.495 29.766 -29.32460      51.01846 
1 1 1 -14 13 7  o 423.127 21.673 38.438  3.8706 40.659  5.1813  35.634  5.8223 433.111 28.406 403.134 34.434 29.97751       44.63859 
1 1 1 -14 13 8  o 231.474 19.634 11.533  1.9065 11.627  3.0701  11.474  2.4323 229.267 32.533 229.617 25.441 -0.3495178     41.29919 
1 1 1 -14 13 9  o 228.750 20.055 11.275  1.9231 13.159  3.0558  10.040  2.4747 244.799 30.111 213.937 27.985 30.86256       41.10770 
1 1 1 -14 13 10 o 378.333 32.875 31.372  5.2149 0.0000  0.0000  31.372  5.2149 ?       ?      378.333 32.875 0.000000       32.87479 
1 1 1 -14 13 11 o 692.178 22.792 102.868 6.6810 0.0000  0.0000  102.868 6.6810 ?       ?      692.178 22.792 0.000000       22.79199 
1 1 1 -14 13 12 o 271.556 22.838 15.949  2.6020 17.574  3.3533  13.491  4.1248 283.618 28.297 243.710 41.450 39.90800       50.18748 
1 1 1 -14 13 13 o 324.584 17.768 22.579  2.4331 21.489  3.7107  23.401  3.2226 313.767 28.228 329.065 23.275 -15.29861      36.58581 
1 1 1 -14 13 14 o 59.615  25.248 0.0652  1.1025 0.3975  1.4507  -0.3893 1.6964 71.975  29.599 68.596  30.174 3.379372       42.26765 
1 1 1 -14 13 15 o 182.761 22.237 7.2873  1.6856 6.6768  2.8021  7.6336  2.1102 170.086 39.636 185.682 27.681 -15.59547      48.34470 
1 1 1 -14 13 16 o 264.281 18.066 15.028  2.0099 16.244  3.1625  14.204  2.6032 271.948 27.853 255.225 24.382 16.72234       37.01671 
1 1 1 -14 13 17 o 261.662 16.592 14.713  1.8291 14.066  2.6348  15.314  2.5412 253.525 24.861 265.281 22.842 -11.75691      33.76131 
1 1 1 -14 13 18 o 320.675 15.846 22.017  2.1519 23.287  3.1034  20.841  2.9864 327.234 22.532 309.336 22.960 17.89752       32.16921 
1 1 1 -14 13 19 o 419.991 13.679 37.692  2.4330 38.540  3.9601  37.178  3.0836 420.995 22.291 415.915 17.507 5.080017       28.34395 
1 1 1 -14 13 20 o 405.312 14.463 35.163  2.4826 38.124  3.8510  33.057  3.2474 418.660 21.796 390.738 19.688 27.92191       29.37146 
1 1 1 -14 13 21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 13 22 o 249.047 14.832 13.357  1.5573 0.0000  0.0000  13.357  1.5573 ?       ?      249.047 14.832 0.000000       14.83240 
1 1 1 -14 13 23 o 166.582 36.812 6.6356  2.5278 0.0000  0.0000  6.6356  2.5278 ?       ?      166.582 36.812 0.000000       36.81167 
1 1 1 -14 13 24 o 120.025 37.950 3.4134  2.1599 3.4134  2.1599  0.0000  0.0000 120.025 37.950 ?       ?      0.000000       37.94961 
1 1 1 -14 13 25 o 158.323 42.583 6.2739  2.9174 6.2739  2.9174  0.0000  0.0000 158.323 42.583 ?       ?      0.000000       42.58335 
1 1 1 -14 14 1  o 433.203 18.774 40.093  3.4442 35.048  5.5391  43.273  4.3978 400.110 32.984 448.424 23.238 -48.31412      40.34766 
1 1 1 -14 14 2  o 398.012 23.810 34.134  3.9948 0.0000  0.0000  34.134  3.9948 ?       ?      398.012 23.810 0.000000       23.80970 
1 1 1 -14 14 3  o 1012.34 23.680 220.021 10.152 203.023 13.786  240.158 15.005 965.674 33.711 1050.26 33.737 -84.58655      47.69264 
1 1 1 -14 14 4  o 342.534 18.920 25.138  2.7338 25.570  4.3616  24.858  3.5086 342.363 30.399 339.258 24.588 3.104553       39.09776 
1 1 1 -14 14 5  o 417.934 18.408 37.295  3.2580 30.782  5.2650  41.337  4.1475 374.737 33.530 438.571 22.405 -63.83441      40.32729 
1 1 1 -14 14 6  f 581.977 21.641 72.552  5.3336 73.885  7.1135  70.841  8.0609 584.740 28.726 569.581 33.566 15.15942       44.18021 
1 1 1 -14 14 7  o 986.395 23.074 208.781 9.6386 208.901 12.993  208.635 14.374 981.274 31.265 977.926 34.708 3.348450       46.71327 
1 1 1 -14 14 8  f 463.691 17.666 45.891  3.4690 44.938  5.4910  46.524  4.4752 455.087 28.638 465.680 22.693 -10.59326      36.53851 
1 1 1 -14 14 9  o 586.987 17.528 73.545  4.3571 76.489  6.9485  71.637  5.5934 595.129 27.570 577.708 22.863 17.42120       35.81603 
1 1 1 -14 14 10 o 274.493 22.158 16.266  2.5538 18.262  3.3449  13.476  3.9543 289.483 27.620 244.456 39.547 45.02766       48.23707 
1 1 1 -14 14 11 o 945.800 23.866 192.421 9.5594 0.0000  0.0000  192.421 9.5594 ?       ?      945.800 23.866 0.000000       23.86645 
1 1 1 -14 14 12 o 352.251 20.857 26.693  3.0974 23.044  3.9618  32.431  4.9678 324.733 29.118 385.012 30.724 -60.27982      42.32990 
1 1 1 -14 14 13 o 504.306 20.263 54.520  4.3276 50.894  5.5784  60.002  6.8583 484.109 27.321 523.907 31.050 -39.79712      41.35841 
1 1 1 -14 14 14 o 141.050 25.447 4.4237  1.4641 2.3778  1.9484  7.0773  2.2190 106.870 36.177 177.896 30.555 -71.02546      47.35342 
1 1 1 -14 14 15 o 256.249 18.932 14.149  2.0400 15.828  3.2407  13.047  2.6254 268.131 29.001 244.193 25.777 23.93784       38.80135 
1 1 1 -14 14 16 o 342.431 16.251 25.075  2.3567 23.165  3.4362  26.771  3.2383 326.039 25.079 351.798 21.844 -25.75864      33.25800 
1 1 1 -14 14 17 o 210.727 17.004 9.5756  1.5045 8.0450  2.1599  11.018  2.0969 190.127 27.635 224.748 22.327 -34.62039      35.52678 
1 1 1 -14 14 18 o 395.006 15.546 33.410  2.6005 34.314  3.7749  32.593  3.5877 397.302 22.528 387.433 21.957 9.868561       31.45826 
1 1 1 -14 14 19 o 523.183 13.581 58.499  3.0090 58.632  4.9823  58.423  3.7753 519.526 22.645 521.436 17.097 -1.910400      28.37434 
1 1 1 -14 14 20 o 549.280 14.451 64.596  3.3615 71.040  5.2685  60.172  4.3656 572.058 21.747 527.738 19.534 44.32031       29.23185 
1 1 1 -14 14 21 o 180.023 14.395 6.9866  1.0882 7.4361  2.1069  6.8231  1.2709 181.397 28.355 177.233 17.147 4.163986       33.13636 
1 1 1 -14 14 22 o 177.615 14.004 6.8049  1.0448 9.6782  2.2005  5.9687  1.1872 208.107 25.503 165.479 17.192 42.62872       30.75604 
1 1 1 -14 14 23 o 203.251 33.174 9.6253  2.7569 0.0000  0.0000  9.6253  2.7569 ?       ?      203.251 33.174 0.000000       33.17400 
1 1 1 -14 14 24 o 208.848 32.577 10.165  2.7873 0.0000  0.0000  10.165  2.7873 ?       ?      208.848 32.577 0.000000       32.57738 
1 1 1 -14 14 25 o 75.357  30.574 0.6824  1.5222 0.0000  0.0000  0.6824  1.5222 ?       ?      75.357  30.574 0.000000       30.57385 
1 1 1 -14 15 1  f 172.107 26.074 6.5203  1.8409 7.3199  3.3058  6.1609  2.2163 178.037 44.079 165.539 32.775 12.49849       54.92860 
1 1 1 -14 15 2  o 281.157 25.470 17.152  2.9998 0.0000  0.0000  17.152  2.9998 ?       ?      281.157 25.470 0.000000       25.47034 
1 1 1 -14 15 3  f 426.970 18.366 38.936  3.3208 31.078  5.3433  43.882  4.2389 376.202 33.903 452.399 22.125 -76.19687      40.48369 
1 1 1 -14 15 4  o 69.885  29.079 0.2655  1.4231 -1.3299 2.0277  1.8143  1.9979 68.138  31.199 99.766  36.390 -31.62834      47.93338 
1 1 1 -14 15 5  o 449.807 18.307 43.210  3.4873 48.967  5.6761  39.720  4.4198 475.224 28.333 429.171 24.419 46.05356       37.40361 
1 1 1 -14 15 6  o 400.055 22.156 34.419  3.7390 28.200  4.9832  42.431  5.6559 358.466 33.203 441.415 30.442 -82.94873      45.04646 
1 1 1 -14 15 7  o 269.811 23.228 15.742  2.6282 14.632  3.5331  17.118  3.9327 257.253 33.205 278.247 34.088 -20.99429      47.58744 
1 1 1 -14 15 8  o 582.266 17.690 72.387  4.3622 78.684  6.9679  68.328  5.5940 603.648 27.257 563.955 23.423 39.69238       35.93819 
1 1 1 -14 15 9  o 404.516 17.533 34.938  3.0036 36.381  4.7653  33.988  3.8690 409.391 27.648 397.121 23.105 12.26990       36.03117 
1 1 1 -14 15 10 o 95.533  31.131 1.9259  1.4458 2.0088  1.9420  1.8229  2.1655 101.694 36.029 101.708 37.751 -0.1393127E-01 52.18396 
1 1 1 -14 15 11 f 441.013 17.189 41.534  3.2103 39.708  5.0326  42.787  4.1686 427.397 27.959 446.398 22.051 -19.00177      35.60807 
1 1 1 -14 15 12 o 228.263 25.307 11.374  2.4052 0.0000  0.0000  11.374  2.4052 ?       ?      228.263 25.307 0.000000       25.30695 
1 1 1 -14 15 13 f 152.914 27.468 5.2122  1.7134 5.7567  2.1845  4.3417  2.7621 159.334 33.440 138.707 42.770 20.62682       54.29139 
1 1 1 -14 15 14 o 223.310 22.679 10.845  2.1150 10.679  2.6592  11.132  3.4893 219.665 29.317 221.047 38.684 -1.381821      48.53832 
1 1 1 -14 15 15 o 600.399 16.725 77.102  4.2524 72.103  6.5968  80.656  5.5623 575.972 27.045 612.105 21.458 -36.13306      34.52376 
1 1 1 -14 15 16 o 452.980 15.838 43.884  3.0382 37.500  4.4533  49.442  4.1555 414.768 25.476 479.219 20.476 -64.45010      32.68499 
1 1 1 -14 15 17 o 282.596 16.052 17.157  1.9131 14.285  2.7173  19.979  2.6939 254.919 25.513 303.500 21.090 -48.58063      33.10183 
1 1 1 -14 15 18 o 707.609 14.143 107.055 4.2381 101.610 7.0534  110.132 5.3019 682.909 24.389 715.881 17.488 -32.97192      30.01098 
1 1 1 -14 15 19 o 289.922 14.040 17.980  1.7238 16.467  2.8768  18.828  2.1532 273.389 25.129 295.428 17.285 -22.03967      30.50016 
1 1 1 -14 15 20 f 370.156 13.076 29.285  2.0498 28.974  3.5490  29.440  2.5110 363.930 23.148 370.279 16.013 -6.348969      28.14662 
1 1 1 -14 15 21 o 224.298 14.904 10.840  1.4076 12.526  2.3604  9.9099  1.7536 238.177 23.717 213.039 19.658 25.13831       30.80473 
1 1 1 -14 15 22 f 398.345 15.770 34.168  2.6604 35.080  4.0389  33.468  3.5357 398.633 24.037 390.971 21.436 7.661926       32.20716 
1 1 1 -14 15 23 o 230.494 20.586 11.688  1.9883 10.619  2.7143  12.926  2.9208 214.800 30.713 237.929 29.630 -23.12891      42.67604 
1 1 1 -14 15 24 o 207.588 22.414 9.5800  1.9392 9.9109  2.7661  9.2602  2.7193 205.904 32.824 198.500 33.544 7.403854       46.93189 
1 1 1 -14 16 1  o 240.505 21.196 12.493  2.1367 15.108  3.5368  10.990  2.6814 261.425 32.658 223.488 29.016 37.93716       43.68626 
1 1 1 -14 16 2  o 161.401 24.724 5.7298  1.6361 4.8594  2.4289  6.4526  2.2136 145.950 38.677 169.650 31.984 -23.69948      50.18785 
1 1 1 -14 16 3  o 351.355 24.169 26.668  3.5743 0.0000  0.0000  26.668  3.5743 ?       ?      351.355 24.169 0.000000       24.16870 
1 1 1 -14 16 4  f 155.729 30.623 5.4345  1.9476 4.2063  2.6082  6.9824  2.9282 136.981 41.432 174.563 40.408 -37.58191      57.87410 
1 1 1 -14 16 5  o 434.622 18.167 40.350  3.3438 41.572  5.4666  39.620  4.2268 437.032 29.713 428.842 23.362 8.189819       37.79745 
1 1 1 -14 16 6  o 421.082 21.892 38.127  3.8903 43.892  5.2389  31.039  5.8086 449.899 27.630 374.363 37.128 75.53595       46.28107 
1 1 1 -14 16 7  o 396.473 17.803 33.571  2.9891 32.370  4.7211  34.375  3.8617 385.542 29.130 399.440 22.925 -13.89771      37.06892 
1 1 1 -14 16 8  o 372.444 21.702 29.852  3.4081 30.812  4.5502  28.625  5.1439 376.148 28.783 360.471 34.101 15.67673       44.62409 
1 1 1 -14 16 9  o 317.913 18.203 21.670  2.4406 22.878  3.8899  20.886  3.1343 323.779 28.665 310.660 24.010 13.11896       37.39202 
1 1 1 -14 16 10 f 145.780 41.191 4.8572  2.6555 0.0000  0.0000  4.8572  2.6555 ?       ?      145.780 41.191 0.000000       41.19144 
1 1 1 -14 16 11 o 434.817 17.202 40.390  3.1676 45.641  4.9858  36.836  4.1019 459.032 25.752 413.022 23.549 46.00989       34.89553 
1 1 1 -14 16 12 o 148.932 28.939 4.9734  1.7594 0.0000  0.0000  4.9734  1.7594 ?       ?      148.932 28.939 0.000000       28.93870 
1 1 1 -14 16 13 o 233.042 24.370 11.845  2.3695 0.0000  0.0000  11.845  2.3695 ?       ?      233.042 24.370 0.000000       24.37016 
1 1 1 -14 16 14 o 351.588 20.106 26.632  2.9812 27.757  3.8356  24.915  4.7382 357.114 25.530 334.782 33.887 22.33215       42.42792 
1 1 1 -14 16 15 o 228.992 31.780 11.726  2.9988 11.726  2.9988  0.0000  0.0000 228.992 31.780 ?       ?      0.000000       31.77991 
1 1 1 -14 16 16 o 244.676 17.139 12.895  1.7647 11.607  2.5821  14.024  2.4174 229.126 27.138 253.628 22.748 -24.50221      35.41093 
1 1 1 -14 16 17 o 172.507 19.421 6.4888  1.3942 8.1873  2.0536  5.0368  1.8987 192.077 25.907 148.358 31.210 43.71953       40.56191 
1 1 1 -14 16 18 o 415.414 13.612 36.884  2.3946 30.588  3.8661  40.803  3.0501 373.663 24.569 435.967 16.520 -62.30396      29.60637 
1 1 1 -14 16 19 o 189.139 18.882 7.7907  1.4922 8.8226  2.1830  6.8858  2.0444 198.854 26.589 174.567 28.648 24.28671       39.08574 
1 1 1 -14 16 20 o 204.264 18.380 9.0727  1.5729 0.0000  0.0000  9.0727  1.5729 ?       ?      204.264 18.380 0.000000       18.38035 
1 1 1 -14 16 21 o 75.245  23.450 1.2387  0.8278 2.6457  1.5525  0.6798  0.9785 107.275 31.857 65.681  25.154 41.59453       40.59086 
1 1 1 -14 16 22 o 502.896 15.780 54.498  3.3607 58.756  5.1306  51.298  4.4477 516.784 23.443 484.180 21.691 32.60428       31.93909 
1 1 1 -14 16 23 o 219.210 18.597 10.514  1.7102 14.893  2.8683  8.0977  2.1302 257.093 26.735 188.544 27.487 68.54854       38.34510 
1 1 1 -14 16 24 o 213.801 22.304 10.157  1.9898 12.280  2.9046  8.2796  2.7313 230.911 30.445 186.014 35.973 44.89732       47.12689 
1 1 1 -14 17 1  o 409.497 23.192 36.179  4.0054 43.125  5.5682  28.732  5.7659 444.615 29.744 358.803 38.551 85.81186       48.69152 
1 1 1 -14 17 2  o 270.504 20.419 15.764  2.3219 17.522  3.8304  14.743  2.9194 281.670 32.721 259.890 26.915 21.78024       42.36873 
1 1 1 -14 17 3  o 711.256 23.296 108.751 7.0170 0.0000  0.0000  108.751 7.0170 ?       ?      711.256 23.296 0.000000       23.29615 
1 1 1 -14 17 4  o 223.241 21.311 10.779  1.9903 12.346  3.3394  9.9163  2.4786 235.350 34.532 212.316 28.269 23.03421       44.62688 
1 1 1 -14 17 5  o 375.770 22.162 30.409  3.5111 30.287  4.7229  30.560  5.2498 372.363 30.211 372.704 33.623 -0.3409729     45.20156 
1 1 1 -14 17 6  o 357.989 21.672 27.590  3.2701 30.134  4.3480  24.276  4.9619 372.274 27.779 330.913 35.987 41.36124       45.46163 
1 1 1 -14 17 7  o 206.919 20.664 9.2634  1.7865 8.8338  2.9254  9.5190  2.2561 197.805 36.259 208.487 26.127 -10.68207      44.69139 
1 1 1 -14 17 8  o 231.077 23.696 11.603  2.2861 10.688  3.0423  12.790  3.4647 218.753 33.939 239.247 35.253 -20.49423      48.93505 
1 1 1 -14 17 9  o 306.716 18.087 20.180  2.3390 19.284  3.6849  20.785  3.0269 296.565 29.741 310.017 23.224 -13.45230      37.73420 
1 1 1 -14 17 10 o 237.972 37.004 12.744  3.6081 0.0000  0.0000  12.744  3.6081 ?       ?      237.972 37.004 0.000000       37.00393 
1 1 1 -14 17 11 o 655.210 17.255 91.756  4.7878 91.350  7.5724  92.026  6.1799 649.098 27.547 654.134 22.309 -5.035217      35.44742 
1 1 1 -14 17 12 o 247.991 18.408 13.238  1.9194 12.724  3.0220  13.585  2.4851 239.755 30.451 249.906 23.767 -10.15073      38.62797 
1 1 1 -14 17 13 o 277.829 23.410 16.769  2.7287 0.0000  0.0000  16.769  2.7287 ?       ?      277.829 23.410 0.000000       23.40998 
1 1 1 -14 17 14 o 251.429 23.964 13.791  2.5207 0.0000  0.0000  13.791  2.5207 ?       ?      251.429 23.964 0.000000       23.96386 
1 1 1 -14 17 15 o 373.328 24.449 30.359  3.8440 30.359  3.8440  0.0000  0.0000 373.328 24.449 ?       ?      0.000000       24.44855 
1 1 1 -14 17 16 o 261.070 19.337 14.753  2.1227 15.286  2.6410  13.781  3.5678 264.296 23.853 246.222 35.219 18.07463       42.53675 
1 1 1 -14 17 17 o 288.246 16.460 17.884  2.0010 17.265  2.9248  18.428  2.7435 280.293 24.899 290.607 22.467 -10.31323      33.53688 
1 1 1 -14 17 18 o 169.280 16.860 6.2158  1.1926 6.0823  1.9118  6.3009  1.5258 163.933 28.576 169.121 21.813 -5.187881      35.94982 
1 1 1 -14 17 19 o 438.315 13.265 41.075  2.4623 49.499  4.2873  36.928  3.0079 477.627 21.196 414.271 17.145 63.35623       27.26187 
1 1 1 -14 17 20 o 207.141 14.909 9.2512  1.2991 7.7815  2.3420  9.9044  1.5613 184.363 31.103 213.688 17.405 -29.32486      35.64124 
1 1 1 -14 17 21 o 37.939  17.316 -0.3887 0.6180 -1.4317 1.5320  -0.1860 0.6754 55.231  25.908 42.904  18.948 12.32709       32.09737 
1 1 1 -14 17 22 o 258.099 14.337 14.362  1.5609 16.304  2.8366  13.519  1.8695 270.268 25.068 249.163 17.835 21.10547       30.76544 
1 1 1 -14 17 23 o 245.559 17.472 13.136  1.8051 15.733  3.0317  11.709  2.2467 263.636 27.562 229.197 23.479 34.43950       36.20650 
1 1 1 -14 17 24 o 97.351  31.087 2.1576  1.4466 4.6688  2.3026  0.5199  1.8594 138.155 38.115 79.046  33.094 59.10928       50.47727 
1 1 1 -14 18 1  o 146.355 31.952 4.8509  1.9249 3.7362  2.5790  6.2528  2.8921 129.964 41.508 164.351 41.534 -34.38765      58.71996 
1 1 1 -14 18 2  o 299.695 19.465 19.316  2.4571 17.984  3.9908  20.129  3.1182 284.761 33.750 304.655 24.373 -19.89444      41.63042 
1 1 1 -14 18 3  o 622.149 18.108 82.760  4.7710 75.588  7.7722  87.097  6.0437 588.189 31.315 636.606 22.418 -48.41693      38.51202 
1 1 1 -14 18 4  o 97.722  33.153 1.9563  1.6363 0.0000  0.0000  1.9563  1.6363 ?       ?      97.722  33.153 0.000000       33.15264 
1 1 1 -14 18 5  o 185.911 26.173 7.6019  2.0036 7.7225  2.6964  7.4533  2.9939 184.694 35.765 180.121 40.261 4.573059       53.85287 
1 1 1 -14 18 6  o 334.562 22.108 24.142  3.1147 27.909  4.1709  19.392  4.6833 358.023 27.725 294.106 38.528 63.91705       47.46655 
1 1 1 -14 18 7  o 159.205 22.950 5.5573  1.5026 2.7275  2.3395  7.5447  1.9605 115.107 39.629 185.299 25.673 -70.19184      47.21803 
1 1 1 -14 18 8  o 211.602 24.349 9.7708  2.1422 9.5499  2.8825  10.043  3.2016 206.297 34.191 210.647 37.252 -4.349243      50.56402 
1 1 1 -14 18 9  o 199.208 20.329 8.5954  1.6910 6.6784  2.7152  9.8100  2.1613 170.582 38.500 211.936 24.534 -41.35455      45.65202 
1 1 1 -14 18 10 o 49.594  23.988 -2.4431 1.5384 0.0000  0.0000  -2.4431 1.5384 ?       ?      49.594  23.988 0.000000       23.98772 
1 1 1 -14 18 11 o 558.315 16.916 66.636  3.9995 63.392  6.3129  68.811  5.1694 539.609 27.719 565.674 21.579 -26.06464      35.12793 
1 1 1 -14 18 12 o 267.558 17.655 15.389  1.9893 12.676  3.0774  17.336  2.6072 238.819 31.171 282.941 21.930 -44.12148      38.11263 
1 1 1 -14 18 13 o 154.925 21.216 5.2586  1.3554 5.5468  2.0501  5.0348  1.8066 156.257 32.056 149.354 29.609 6.903839       43.63781 
1 1 1 -14 18 14 o 186.662 26.858 7.7340  2.0620 0.0000  0.0000  7.7340  2.0620 ?       ?      186.662 26.858 0.000000       26.85794 
1 1 1 -14 18 15 o 269.939 22.470 15.876  2.5453 0.0000  0.0000  15.876  2.5453 ?       ?      269.939 22.470 0.000000       22.46978 
1 1 1 -14 18 16 o 212.936 26.464 10.059  2.3350 10.059  2.3350  0.0000  0.0000 212.936 26.464 ?       ?      0.000000       26.46445 
1 1 1 -14 18 17 o 458.676 18.569 45.339  3.6070 49.573  4.5404  38.094  5.9389 477.699 22.444 410.590 34.474 67.10941       41.13622 
1 1 1 -14 18 18 o 102.489 23.935 2.3805  1.0200 2.2506  1.7263  2.4502  1.2643 101.869 34.055 103.627 28.101 -1.758255      44.15214 
1 1 1 -14 18 19 o 602.832 13.417 77.743  3.4253 93.645  6.0294  70.166  4.1621 656.233 21.696 570.819 17.218 85.41357       27.69738 
1 1 1 -14 18 20 f 384.087 12.885 31.564  2.0958 29.033  3.7173  32.744  2.5376 362.848 24.332 390.351 15.350 -27.50317      28.76936 
1 1 1 -14 18 21 o 301.621 16.181 19.672  2.0593 21.939  3.1747  18.026  2.7058 314.751 23.998 285.904 22.530 28.84708       32.91729 
1 1 1 -14 18 22 o 346.617 13.810 25.813  2.0272 27.624  3.5866  24.963  2.4573 352.637 24.162 339.126 17.166 13.51129       29.63920 
1 1 1 -14 18 23 o 188.381 14.616 7.6867  1.1569 8.7037  2.5842  7.4317  1.2938 192.525 32.875 184.571 16.735 7.954178       36.88918 
1 1 1 -14 19 1  o 104.518 33.428 2.3670  1.6722 2.4880  2.1775  2.1930  2.6106 110.197 38.216 110.614 41.371 -0.4175339     56.32093 
1 1 1 -14 19 2  o 206.034 21.474 9.2177  1.8461 8.8389  2.9649  9.4576  2.3593 197.164 36.865 207.102 27.586 -9.938309      46.04303 
1 1 1 -14 19 3  o 149.928 26.185 4.9956  1.6020 2.7424  2.4944  6.5775  2.0901 116.365 40.871 171.556 29.853 -55.19144      50.61248 
1 1 1 -14 19 4  o 216.585 27.389 10.315  2.4560 0.0000  0.0000  10.315  2.4560 ?       ?      216.585 27.389 0.000000       27.38882 
1 1 1 -14 19 5  o 276.704 24.222 16.627  2.8097 0.0000  0.0000  16.627  2.8097 ?       ?      276.704 24.222 0.000000       24.22151 
1 1 1 -14 19 6  o 491.876 21.109 51.943  4.3972 51.609  5.8714  52.370  6.6357 486.731 28.610 488.481 32.259 -1.750214      43.11805 
1 1 1 -14 19 7  o 164.388 22.429 5.9147  1.5207 4.5006  2.5321  6.7124  1.9019 140.382 40.409 174.248 26.618 -33.86615      48.38790 
1 1 1 -14 19 8  o 525.812 17.367 59.111  3.8673 57.448  6.1803  60.181  4.9579 513.462 28.535 528.966 22.132 -15.50421      36.11167 
1 1 1 -14 19 9  o 362.448 21.267 28.325  3.2501 28.917  4.3660  27.589  4.8674 363.635 28.582 353.332 32.908 10.30307       43.58692 
1 1 1 -14 19 10 o 211.271 36.736 10.132  3.1675 0.0000  0.0000  10.132  3.1675 ?       ?      211.271 36.736 0.000000       36.73571 
1 1 1 -14 19 11 o 157.530 22.020 5.4432  1.4289 3.1599  2.1985  7.1131  1.8801 119.722 38.333 179.568 25.435 -59.84538      46.00369 
1 1 1 -14 19 12 o 234.782 18.427 11.891  1.8174 7.8204  2.8184  14.789  2.3779 184.448 37.361 261.117 21.700 -76.66888      43.20635 
1 1 1 -14 19 13 o 120.118 24.834 3.2404  1.2216 2.9236  1.8552  3.4828  1.6231 114.210 35.026 123.508 31.062 -9.298431      46.81475 
1 1 1 -14 19 14 o 240.426 17.382 12.464  1.7578 11.068  2.6473  13.565  2.3509 223.005 28.698 249.404 22.501 -26.39935      36.46675 
1 1 1 -14 19 15 o 129.104 30.365 3.8213  1.6324 0.0000  0.0000  3.8213  1.6324 ?       ?      129.104 30.365 0.000000       30.36506 
1 1 1 -14 19 16 o 126.208 37.417 3.6903  2.1430 0.0000  0.0000  3.6903  2.1430 ?       ?      126.208 37.417 0.000000       37.41716 
1 1 1 -14 19 17 o 296.923 14.734 18.884  1.8527 19.662  3.0253  18.417  2.3436 299.265 24.075 291.516 19.089 7.748993       30.72458 
1 1 1 -14 19 18 o 218.001 21.751 10.423  1.9812 11.804  2.5186  8.1806  3.2089 230.381 26.286 184.534 42.005 45.84654       49.55150 
1 1 1 -14 19 19 o 316.642 19.089 21.769  2.5478 21.993  3.1885  21.373  4.2373 316.028 24.004 306.270 33.201 9.757813       40.96928 
1 1 1 -14 19 20 o 263.598 13.447 14.929  1.4961 15.958  2.7464  14.494  1.7841 268.226 24.446 258.829 16.360 9.397064       29.41554 
1 1 1 -14 19 21 o 138.981 16.967 4.2349  0.9779 6.5796  2.0393  3.5347  1.1144 168.851 29.598 125.391 21.775 43.45963       36.74485 
1 1 1 -14 19 22 o 176.365 14.446 6.7375  1.0695 7.3837  2.2750  6.5542  1.2117 177.883 31.346 173.277 16.720 4.606842       35.52629 
1 1 1 -14 19 23 o 179.242 16.633 7.0118  1.2482 8.7848  2.5677  6.4633  1.4283 193.536 32.479 170.846 20.127 22.69041       38.20938 
1 1 1 -14 20 1  f 169.720 25.242 6.3680  1.7590 8.9237  2.9053  4.8889  2.2102 197.943 35.984 145.731 36.019 52.21135       50.91345 
1 1 1 -14 20 2  o 374.341 22.326 30.298  3.5232 28.280  4.7073  32.868  5.3125 358.033 31.362 385.428 32.861 -27.39444      45.42493 
1 1 1 -14 20 3  o 114.375 29.662 2.9587  1.4489 2.9489  2.6452  2.9629  1.7317 119.885 42.090 114.842 33.522 5.043152       53.80779 
1 1 1 -14 20 4  o 118.100 28.562 3.1517  1.4129 2.1841  2.2225  3.8080  1.8304 106.562 38.455 129.305 33.242 -22.74332      50.83101 
1 1 1 -14 20 5  f 331.661 23.547 23.835  3.2858 0.0000  0.0000  23.835  3.2858 ?       ?      331.661 23.547 0.000000       23.54723 
1 1 1 -14 20 6  o 374.423 17.548 29.991  2.7825 24.065  4.4068  33.921  3.5883 330.155 31.916 396.649 21.441 -66.49362      38.44978 
1 1 1 -14 20 7  o 438.452 21.149 41.322  3.9269 42.038  5.2327  40.400  5.9415 438.815 28.309 427.825 33.049 10.98956       43.51630 
1 1 1 -14 20 8  o 385.639 17.623 31.828  2.8781 35.372  4.6327  29.599  3.6729 402.708 27.326 369.644 23.586 33.06396       36.09757 
1 1 1 -14 20 9  f 342.352 21.336 25.310  3.0780 24.965  4.0980  25.757  4.6623 337.257 28.974 340.994 32.686 -3.736572      43.67906 
1 1 1 -14 20 10 o 173.251 27.826 6.6852  1.9725 0.0000  0.0000  6.6852  1.9725 ?       ?      173.251 27.826 0.000000       27.82586 
1 1 1 -14 20 11 o 102.874 31.501 2.3428  1.5012 2.8137  1.9049  1.5709  2.4389 112.801 35.636 101.258 39.460 11.54327       53.16934 
1 1 1 -14 20 12 o 184.321 19.676 7.3869  1.5122 4.7207  2.4012  9.1393  1.9467 142.535 38.757 204.376 22.884 -61.84193      45.00920 
1 1 1 -14 20 13 f 215.626 21.909 10.149  1.9728 8.9230  2.5068  12.144  3.1977 199.169 30.707 231.785 33.553 -32.61607      45.48319 
1 1 1 -14 20 14 o 184.195 21.725 7.4376  1.6621 5.6832  2.0998  10.381  2.7198 157.350 32.583 214.806 30.778 -57.45596      44.82133 
1 1 1 -14 20 15 o 190.952 21.108 7.9826  1.6784 7.8048  2.0922  8.3037  2.8112 186.800 27.250 189.160 36.414 -2.359314      45.48137 
1 1 1 -14 20 16 o 146.156 23.794 4.7667  1.4221 6.2040  1.9316  3.0658  2.1013 165.570 28.581 116.526 37.494 49.04357       47.14485 
1 1 1 -14 20 17 o 219.293 27.147 10.736  2.4672 0.0000  0.0000  10.736  2.4672 ?       ?      219.293 27.147 0.000000       27.14697 
1 1 1 -14 20 18 o 277.786 31.322 17.455  3.6204 0.0000  0.0000  17.455  3.6204 ?       ?      277.786 31.322 0.000000       31.32170 
1 1 1 -14 20 19 o 122.965 28.720 3.4950  1.4685 3.3549  1.8299  3.7487  2.4614 119.683 34.323 126.391 40.570 -6.708481      53.14154 
1 1 1 -14 20 20 o 177.497 20.243 6.9461  1.4944 9.2924  2.2556  5.1106  1.9951 202.818 26.927 147.274 32.826 55.54387       42.45715 
1 1 1 -14 20 21 o 297.555 16.767 19.213  2.1042 23.547  3.1584  15.755  2.8217 326.121 23.017 265.156 25.441 60.96463       34.30740 
1 1 1 -14 20 22 o 280.570 14.433 16.993  1.7092 17.822  3.1252  16.640  2.0415 281.116 26.566 276.379 17.533 4.737549       31.83011 
1 1 1 -14 20 23 o 98.227  22.686 2.2091  0.9247 1.9026  2.1038  2.2825  1.0294 98.314  37.066 99.476  24.579 -1.162506      44.47480 
1 1 1 -14 21 1  o 287.302 20.161 17.843  2.4375 25.155  4.1196  13.904  3.0235 337.923 29.070 250.589 29.028 87.33377       41.08153 
1 1 1 -14 21 2  o 417.532 22.564 37.741  3.9749 36.308  5.4014  39.435  5.8707 405.201 31.730 421.577 33.150 -16.37561      45.88845 
1 1 1 -14 21 3  o 109.725 29.815 2.7213  1.4216 2.0448  2.6115  3.0062  1.6946 108.637 41.215 115.313 33.019 -6.675491      52.81052 
1 1 1 -14 21 4  o 326.529 18.780 22.942  2.5860 23.777  4.3102  22.472  3.2324 327.855 31.429 321.580 23.906 6.274811       39.48767 
1 1 1 -14 21 5  o 348.325 21.290 26.207  3.1255 24.816  4.1782  27.975  4.7096 335.810 29.686 355.830 31.582 -20.01920      43.34364 
1 1 1 -14 21 6  o 142.276 31.207 4.5984  1.8286 0.0000  0.0000  4.5984  1.8286 ?       ?      142.276 31.207 0.000000       31.20721 
1 1 1 -14 21 7  f 231.078 23.455 11.645  2.2635 10.416  3.0179  13.226  3.4221 214.873 34.320 242.688 34.249 -27.81500      48.48593 
1 1 1 -14 21 8  o 197.818 32.728 8.8165  2.6459 8.8165  2.6459  0.0000  0.0000 197.818 32.728 ?       ?      0.000000       32.72832 
1 1 1 -14 21 9  o 253.699 22.299 13.990  2.3714 13.223  3.0992  15.074  3.6834 243.800 30.697 259.005 34.435 -15.20506      46.13133 
1 1 1 -14 21 10 o 250.471 36.921 14.255  3.7989 0.0000  0.0000  14.255  3.7989 ?       ?      250.471 36.921 0.000000       36.92147 
1 1 1 -14 21 11 o 131.340 30.072 3.9328  1.6366 4.0175  2.1274  3.8099  2.5615 131.957 36.724 129.769 41.359 2.188187       55.30988 
1 1 1 -14 21 12 o 372.485 20.019 29.985  3.1463 25.536  4.1064  36.311  4.8961 339.955 28.794 405.825 28.673 -65.87018      40.63512 
1 1 1 -14 21 13 o 129.774 28.983 3.8427  1.5526 2.2927  1.9222  6.7522  2.6336 104.385 35.922 170.041 37.573 -65.65679      51.98182 
1 1 1 -14 21 14 o 194.369 22.381 8.2997  1.8086 7.5828  2.2971  9.4691  2.9337 182.795 30.766 202.735 35.462 -19.93945      46.94758 
1 1 1 -14 21 15 o 129.197 24.522 3.7563  1.2926 3.6850  1.7287  3.8468  1.9467 126.152 32.237 128.512 34.877 -2.359764      47.49408 
1 1 1 -14 21 16 o 305.382 16.907 20.115  2.1780 17.762  3.1220  22.346  3.0400 283.211 26.332 319.674 22.601 -36.46365      34.70152 
1 1 1 -14 21 17 o 186.725 19.541 7.6214  1.5224 5.9414  2.1781  9.2260  2.1286 159.924 33.245 203.663 25.219 -43.73871      41.72834 
1 1 1 -14 21 18 o 240.810 22.696 12.772  2.2872 0.0000  0.0000  12.772  2.2872 ?       ?      240.810 22.696 0.000000       22.69554 
1 1 1 -14 21 19 o 235.122 32.718 12.748  3.1695 0.0000  0.0000  12.748  3.1695 ?       ?      235.122 32.718 0.000000       32.71812 
1 1 1 -14 21 20 o 127.554 27.874 3.7714  1.4636 0.0000  0.0000  3.7714  1.4636 ?       ?      127.554 27.874 0.000000       27.87434 
1 1 1 -14 21 21 o 95.915  25.564 2.1220  1.0572 -0.3226 1.8733  3.2646  1.2807 71.101  31.471 118.850 26.154 -47.74902      40.92039 
1 1 1 -14 21 22 o 155.686 20.725 5.3972  1.3325 8.6173  2.2239  3.5937  1.6643 193.995 27.870 122.961 31.744 71.03366       42.24224 
1 1 1 -14 22 1  o 432.509 18.355 40.176  3.3619 37.667  5.5164  41.659  4.2404 411.904 31.872 438.132 22.933 -26.22815      39.26541 
1 1 1 -14 22 2  o 159.770 31.737 5.8075  2.0717 5.4273  3.0225  6.1443  2.8451 151.981 44.265 161.682 41.380 -9.700500      60.59417 
1 1 1 -14 22 3  o 466.564 18.246 46.719  3.6052 58.320  6.0586  40.359  4.4859 516.047 27.826 430.598 24.703 85.44839       37.20894 
1 1 1 -14 22 4  o 142.732 33.398 4.6747  1.9829 3.7905  2.8560  5.4976  2.7552 130.963 43.802 153.255 41.451 -22.29185      60.30628 
1 1 1 -14 22 5  o 187.855 26.857 7.8268  2.0758 8.3952  3.0028  7.3065  2.8728 190.603 38.525 177.288 39.296 13.31413       55.03071 
1 1 1 -14 22 6  o 339.765 21.545 24.988  3.0840 24.685  4.1836  25.349  4.5640 334.386 29.857 337.720 32.305 -3.333893      43.98948 
1 1 1 -14 22 7  o 157.303 42.483 5.8112  2.8966 0.0000  0.0000  5.8112  2.8966 ?       ?      157.303 42.483 0.000000       42.48284 
1 1 1 -14 22 8  o 214.611 33.574 10.408  2.9514 10.408  2.9514  0.0000  0.0000 214.611 33.574 ?       ?      0.000000       33.57441 
1 1 1 -14 22 9  o 200.890 31.813 9.0971  2.6164 9.0971  2.6164  0.0000  0.0000 200.890 31.813 ?       ?      0.000000       31.81336 
1 1 1 -14 22 10 o 227.187 38.668 11.901  3.5870 0.0000  0.0000  11.901  3.5870 ?       ?      227.187 38.668 0.000000       38.66793 
1 1 1 -14 22 11 o 430.221 19.890 39.902  3.6238 37.215  4.8039  43.450  5.5201 411.205 27.749 443.328 29.572 -32.12280      40.55208 
1 1 1 -14 22 12 o 160.916 25.333 5.7749  1.6693 3.7844  2.1275  8.9624  2.6923 127.860 37.109 198.265 33.241 -70.40566      49.82031 
1 1 1 -14 22 13 o 418.934 18.849 37.830  3.3440 34.411  4.3413  42.818  5.2439 395.625 26.057 440.071 28.288 -44.44650      38.45990 
1 1 1 -14 22 14 o 83.970  28.989 1.4411  1.2523 1.2101  1.6106  1.7942  1.9915 84.936  32.333 97.711  36.216 -12.77493      48.54882 
1 1 1 -14 22 15 o 248.182 18.955 13.371  1.9772 11.609  2.9298  14.845  2.6793 226.322 31.415 259.433 24.684 -33.11028      39.95300 
1 1 1 -14 22 16 o 217.336 18.629 10.270  1.6980 10.222  2.3938  10.320  2.4090 213.808 27.042 214.827 27.081 -1.018997      38.27110 
1 1 1 -14 22 17 o 185.266 19.326 7.5077  1.4940 8.2367  2.2024  6.8864  2.0333 190.964 28.071 174.123 28.565 16.84097       40.04889 
1 1 1 -14 22 18 o 255.023 16.493 14.077  1.7717 12.368  2.6675  15.425  2.3699 234.537 27.371 265.138 21.286 -30.60123      34.67369 
1 1 1 -14 22 19 o 133.109 22.983 3.9947  1.2487 5.5339  1.9483  2.9215  1.6268 154.028 30.942 111.710 32.458 42.31767       44.84330 
1 1 1 -14 22 20 o 189.179 34.571 8.4832  2.6676 0.0000  0.0000  8.4832  2.6676 ?       ?      189.179 34.571 0.000000       34.57074 
1 1 1 -14 22 21 o 85.587  26.900 1.6447  1.0867 0.0000  0.0000  1.6447  1.0867 ?       ?      85.587  26.900 0.000000       26.90011 
1 1 1 -14 22 22 o 192.012 19.233 8.1222  1.5429 0.0000  0.0000  8.1222  1.5429 ?       ?      192.012 19.233 0.000000       19.23289 
1 1 1 -14 23 1  o 374.589 19.098 30.269  3.0196 42.084  5.0642  23.751  3.7613 437.740 27.457 328.490 27.285 109.2498       38.70864 
1 1 1 -14 23 2  o 337.223 22.947 24.747  3.2576 25.626  4.5076  23.786  4.7133 339.095 31.759 325.008 34.784 14.08664       47.10163 
1 1 1 -14 23 3  o 332.897 22.981 24.115  3.2199 26.830  4.4856  21.228  4.6249 347.618 30.789 306.096 36.391 41.52118       47.66819 
1 1 1 -14 23 4  o 172.021 29.445 6.6626  2.0679 6.9299  2.9199  6.3935  2.9290 171.665 40.771 164.536 41.918 7.129227       58.47544 
1 1 1 -14 23 5  o 184.523 27.307 7.5851  2.0694 8.4924  3.0085  6.7705  2.8510 191.321 38.466 169.842 40.253 21.47804       55.67646 
1 1 1 -14 23 6  o 199.990 24.652 8.8116  2.0437 10.540  2.7998  6.8406  2.9899 216.556 31.449 170.242 41.782 46.31413       52.29525 
1 1 1 -14 23 7  o 376.461 33.499 31.694  5.2849 0.0000  0.0000  31.694  5.2849 ?       ?      376.461 33.499 0.000000       33.49942 
1 1 1 -14 23 8  o 295.263 34.953 19.688  4.2857 0.0000  0.0000  19.688  4.2857 ?       ?      295.263 34.953 0.000000       34.95292 
1 1 1 -14 23 9  o 155.547 37.322 5.6489  2.4270 5.6489  2.4270  0.0000  0.0000 155.547 37.322 ?       ?      0.000000       37.32160 
1 1 1 -14 23 10 o 55.619  26.167 -1.6034 1.5827 -1.6034 1.5827  0.0000  0.0000 55.619  26.167 ?       ?      0.000000       26.16740 
1 1 1 -14 23 11 o 280.125 21.193 17.073  2.4955 17.207  3.2981  16.893  3.8168 278.333 28.378 273.208 33.703 5.125183       44.05891 
1 1 1 -14 23 12 o 225.786 21.292 11.136  2.0119 11.124  2.6053  11.154  3.1666 223.152 28.198 220.449 35.096 2.703186       45.02030 
1 1 1 -14 23 13 o 283.375 19.943 17.442  2.3781 16.115  3.1070  19.319  3.6951 269.230 27.643 293.747 30.130 -24.51620      40.88953 
1 1 1 -14 23 14 o 272.727 18.118 16.100  2.0807 15.787  2.8975  16.433  2.9897 267.039 25.949 272.365 26.245 -5.325745      36.90706 
1 1 1 -14 23 15 o 131.254 27.124 3.9271  1.4579 2.5441  2.1979  5.0136  1.9481 109.330 38.367 147.030 32.180 -37.69961      50.07554 
1 1 1 -14 23 16 o 144.641 25.763 4.7289  1.5202 5.4998  1.9641  3.5768  2.4010 154.304 31.130 124.234 40.089 30.06932       50.75652 
1 1 1 -14 23 17 o 96.215  30.034 2.0829  1.3573 0.4635  1.8424  4.0052  2.0073 78.810  32.964 130.001 35.472 -51.19138      48.42446 
1 1 1 -14 23 18 o 482.871 15.055 50.179  3.0787 49.317  4.8023  50.780  4.0115 472.279 24.091 483.057 19.610 -10.77750      31.06284 
1 1 1 -14 23 19 o 247.318 16.200 13.270  1.6874 12.538  2.6453  13.772  2.1910 235.448 27.020 250.027 20.883 -14.57845      34.14922 
1 1 1 -14 23 20 o 176.700 23.385 7.0098  1.7069 4.0227  2.2522  11.042  2.6165 128.518 38.417 219.489 28.848 -90.97079      48.04245 
1 1 1 -14 23 21 o 247.410 15.600 13.277  1.6261 12.344  2.8261  13.739  1.9882 231.645 29.476 250.322 18.894 -18.67632      35.01162 
1 1 1 -14 24 1  o 420.660 22.421 38.446  3.9798 42.038  5.4725  34.415  5.7982 435.735 29.836 390.573 35.441 45.16208       46.32761 
1 1 1 -14 24 2  o 243.450 25.484 13.054  2.5884 13.421  3.5877  12.655  3.7381 242.417 36.044 233.804 39.137 8.612793       53.20560 
1 1 1 -14 24 3  o 82.599  32.932 0.8732  1.7334 2.7813  2.6258  -0.6005 2.3076 116.489 41.827 78.239  34.765 38.24986       54.38860 
1 1 1 -14 24 4  o 196.338 28.135 8.6130  2.2725 8.8253  3.5080  8.4595  2.9830 192.349 44.017 190.617 38.283 1.731613       58.33573 
1 1 1 -14 24 5  o 105.334 34.798 2.4083  1.8041 0.4394  2.8792  3.6812  2.3150 95.740  40.687 126.776 39.166 -31.03561      56.47494 
1 1 1 -14 24 6  o 303.730 23.015 20.123  2.9383 19.506  3.9332  20.903  4.4200 295.050 31.990 303.966 34.974 -8.916412      47.39798 
1 1 1 -14 24 7  o 524.792 20.751 59.505  4.6119 57.703  6.1519  61.818  6.9686 511.568 28.509 527.390 31.342 -15.82135      42.36877 
1 1 1 -14 24 8  o 218.695 38.387 11.094  3.4255 0.0000  0.0000  11.094  3.4255 ?       ?      218.695 38.387 0.000000       38.38661 
1 1 1 -14 24 9  o 345.029 32.056 26.674  4.6303 0.0000  0.0000  26.674  4.6303 ?       ?      345.029 32.056 0.000000       32.05580 
1 1 1 -14 24 10 o 173.477 35.494 6.9874  2.5197 6.9874  2.5197  0.0000  0.0000 173.477 35.494 ?       ?      0.000000       35.49403 
1 1 1 -14 24 11 o 84.907  33.558 1.0119  1.7854 1.0119  1.7854  0.0000  0.0000 84.907  33.558 ?       ?      0.000000       33.55784 
1 1 1 -14 24 12 o 239.370 21.289 12.518  2.1356 11.574  2.7976  13.835  3.3061 226.780 29.855 247.021 32.384 -20.24033      44.04572 
1 1 1 -14 24 13 o 285.677 20.206 17.753  2.4287 17.385  3.1534  18.290  3.8079 279.834 26.943 284.356 32.188 -4.522003      41.97573 
1 1 1 -14 24 14 o 159.819 22.127 5.6560  1.4574 6.2006  2.0016  5.0415  2.1263 164.794 29.777 146.591 34.775 18.20233       45.78208 
1 1 1 -14 24 15 o 141.796 27.700 4.5893  1.6037 7.1035  2.6122  3.0685  2.0316 173.478 36.702 115.722 36.828 57.75538       51.99386 
1 1 1 -14 24 16 o 181.834 22.357 7.3253  1.6853 6.1041  2.1029  9.5179  2.8178 162.187 31.753 202.331 34.097 -40.14307      46.59295 
1 1 1 -14 24 17 o 81.191  28.244 1.3597  1.1899 1.0720  1.8075  1.5797  1.5807 85.088  33.722 89.203  32.394 -4.115135      46.76019 
1 1 1 -14 24 18 o 218.250 17.933 10.399  1.6429 12.492  2.5368  8.8882  2.1560 235.724 25.836 198.214 26.337 37.50966       36.89322 
1 1 1 -14 24 19 o 178.105 19.309 6.9940  1.4331 6.9227  2.2522  7.0425  1.8577 171.519 32.188 176.166 25.654 -4.647171      41.16070 
1 1 1 -14 24 20 o 114.997 25.103 3.0511  1.1882 4.5252  2.1023  2.3591  1.4404 136.426 35.900 100.816 30.853 35.61006       47.33620 
1 1 1 -14 24 21 o 147.343 26.992 5.0098  1.6222 4.2980  2.2773  5.7430  2.3114 132.215 38.398 153.635 36.131 -21.41953      52.72498 
1 1 1 -14 25 1  o 132.121 43.751 3.9691  2.8513 3.9691  2.8513  0.0000  0.0000 132.121 43.751 ?       ?      0.000000       43.75077 
1 1 1 -14 25 2  o 177.002 31.318 7.1257  2.2617 5.9993  3.3595  8.0592  3.0586 158.007 46.849 184.910 40.204 -26.90288      61.73541 
1 1 1 -14 25 3  o 294.191 23.423 18.923  2.8940 19.716  4.0351  18.082  4.1529 296.027 32.735 281.889 35.580 14.13834       48.34789 
1 1 1 -14 25 4  o 238.992 25.708 12.612  2.5610 14.395  3.6242  10.833  3.6194 251.387 34.991 214.553 41.334 36.83443       54.15615 
1 1 1 -14 25 5  o 385.076 22.539 32.282  3.6596 37.584  5.1108  26.703  5.2427 411.674 29.511 342.401 36.729 69.27344       47.11629 
1 1 1 -14 25 6  o 175.570 27.066 6.9023  1.9477 7.0020  2.6702  6.7890  2.8473 173.000 37.526 169.295 40.296 3.704895       55.06337 
1 1 1 -14 25 7  o 234.650 23.380 12.086  2.2924 12.704  3.0247  11.252  3.5138 237.675 30.774 219.589 39.224 18.08586       49.85546 
1 1 1 -14 25 8  o 206.648 24.679 9.4416  2.1170 8.3675  2.8181  10.833  3.2073 189.839 36.378 216.691 36.229 -26.85199      51.34091 
1 1 1 -14 25 9  o 282.269 33.315 18.043  3.9057 0.0000  0.0000  18.043  3.9057 ?       ?      282.269 33.315 0.000000       33.31517 
1 1 1 -14 25 10 o 271.269 33.483 16.708  3.7649 0.0000  0.0000  16.708  3.7649 ?       ?      271.269 33.483 0.000000       33.48330 
1 1 1 -14 25 11 o 226.924 29.342 11.574  2.7538 11.574  2.7538  0.0000  0.0000 226.924 29.342 ?       ?      0.000000       29.34249 
1 1 1 -14 25 12 o 245.590 27.334 13.448  2.7947 13.448  2.7947  0.0000  0.0000 245.590 27.334 ?       ?      0.000000       27.33445 
1 1 1 -14 25 13 o 210.454 20.710 9.6975  1.8219 10.543  2.3430  8.4036  2.8976 217.569 25.940 188.928 37.539 28.64075       45.62981 
1 1 1 -14 25 14 o 267.634 18.943 15.572  2.1331 18.740  3.1792  12.977  2.8768 290.471 26.124 240.062 28.877 50.40932       38.93977 
1 1 1 -14 25 15 o 166.785 23.040 6.1957  1.5839 4.8512  2.5669  7.0224  2.0128 141.660 40.659 175.839 27.966 -34.17924      49.34788 
1 1 1 -14 25 16 f 126.211 25.627 3.6423  1.3230 1.2475  1.9628  5.6360  1.7909 89.376  35.230 156.864 27.986 -67.48843      44.99290 
1 1 1 -14 25 17 o 113.277 26.314 2.9651  1.2382 2.6969  1.8893  3.1671  1.6394 108.413 35.600 115.874 32.233 -7.460243      48.02417 
1 1 1 -14 25 18 o 145.016 22.976 4.7415  1.3640 2.2865  2.1576  6.3759  1.7604 103.817 37.824 167.499 25.633 -63.68277      45.69094 
1 1 1 -14 25 19 o 224.540 16.989 10.994  1.6036 10.816  2.6363  11.099  2.0203 216.632 29.504 223.652 21.599 -7.020111      36.56483 
1 1 1 -14 25 20 o 152.844 20.260 5.2008  1.2791 6.1458  2.1878  4.7100  1.5766 160.475 33.284 142.704 27.079 17.77087       42.90769 
1 1 1 -14 26 1  o 157.505 42.962 5.9561  2.9450 5.9561  2.9450  0.0000  0.0000 157.505 42.962 ?       ?      0.000000       42.96198 
1 1 1 -14 26 2  o 333.793 23.070 24.343  3.2411 23.821  4.5294  24.890  4.6398 324.810 33.404 332.043 33.452 -7.233032      47.27430 
1 1 1 -14 26 3  f 163.992 29.463 6.1034  1.9710 5.4546  2.9088  6.6542  2.6799 151.105 43.257 168.057 38.484 -16.95186      57.89763 
1 1 1 -14 26 4  o 152.138 34.236 5.3764  2.1525 7.1301  3.0044  3.5269  3.0854 172.900 41.548 127.721 45.395 45.17892       61.53787 
1 1 1 -14 26 5  o 213.965 27.044 10.197  2.3958 11.725  3.4167  8.7189  3.3602 225.128 37.132 191.020 42.621 34.10876       56.52716 
1 1 1 -14 26 6  o 301.899 21.706 19.865  2.7566 16.872  3.6413  23.883  4.2192 273.522 32.043 326.624 30.869 -53.10184      44.49259 
1 1 1 -14 26 7  f 98.973  31.641 2.1617  1.4983 3.3159  1.9560  0.5229  2.3307 119.962 35.789 87.998  36.958 31.96455       51.44663 
1 1 1 -14 26 8  o 286.715 21.236 17.916  2.5602 14.221  3.3754  22.922  3.9285 250.404 32.603 320.613 29.256 -70.21004      43.80479 
1 1 1 -14 26 9  o 246.009 22.570 13.271  2.3251 11.949  3.1123  14.941  3.4978 228.905 33.064 256.428 32.974 -27.52298      46.69600 
1 1 1 -14 26 10 o 152.888 40.905 5.6000  2.7003 0.0000  0.0000  5.6000  2.7003 ?       ?      152.888 40.905 0.000000       40.90467 
1 1 1 -14 26 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 26 12 o 184.298 30.740 7.7629  2.3147 7.7629  2.3147  0.0000  0.0000 184.298 30.740 ?       ?      0.000000       30.73953 
1 1 1 -14 26 13 o 193.783 26.237 8.4207  2.0977 8.3772  2.3204  8.6156  4.9080 191.917 29.493 181.269 57.194 10.64833       64.35091 
1 1 1 -14 26 14 o 99.012  32.697 2.1695  1.5929 2.9232  2.5017  1.6557  2.0658 115.485 40.894 95.894  36.591 19.59111       54.87494 
1 1 1 -14 26 15 o 211.435 20.820 9.8426  1.8401 10.657  2.9011  9.2946  2.3800 214.260 33.034 202.067 28.613 12.19342       43.70303 
1 1 1 -14 26 16 o 172.986 21.903 6.6598  1.5686 5.8711  2.3218  7.3221  2.1277 156.351 35.832 178.376 29.175 -22.02489      46.20755 
1 1 1 -14 26 17 o 57.529  25.092 -0.1212 1.1513 -0.2525 1.6881  -0.0071 1.5743 68.100  30.022 68.255  29.558 -0.1553955     42.13100 
1 1 1 -14 26 18 o 83.286  28.653 1.4781  1.2229 1.6110  1.9102  1.3859  1.5918 92.535  35.216 85.823  32.265 6.711403       47.76172 
1 1 1 -14 26 19 o 193.950 17.997 8.2528  1.4614 5.8828  2.4070  9.6364  1.8392 154.941 37.161 208.383 21.133 -53.44197      42.75019 
1 1 1 -14 27 1  o 186.011 29.221 7.8390  2.2260 8.7987  3.3266  7.0609  2.9954 191.262 42.202 171.196 41.701 20.06616       59.32990 
1 1 1 -14 27 2  o 149.728 44.301 5.4016  3.0063 5.4016  3.0063  0.0000  0.0000 149.728 44.301 ?       ?      0.000000       44.30111 
1 1 1 -14 27 3  o 175.505 28.789 6.9690  2.0656 5.0152  2.9684  8.8031  2.8761 144.885 44.283 194.486 36.253 -49.60063      57.23011 
1 1 1 -14 27 4  f 145.903 32.931 4.9411  1.9865 5.7566  2.7678  4.0748  2.8526 155.025 41.385 132.802 43.751 22.22244       60.22298 
1 1 1 -14 27 5  o 179.333 26.405 7.1994  1.9453 8.0046  2.6058  6.1857  2.9239 186.110 34.326 160.324 42.410 25.78583       54.56071 
1 1 1 -14 27 6  o 181.145 26.686 7.3531  1.9858 3.8790  2.6692  11.660  2.9719 129.672 42.302 226.614 31.846 -96.94208      52.94893 
1 1 1 -14 27 7  f 198.189 25.396 8.7380  2.0825 7.5658  2.7010  10.456  3.2701 179.681 36.736 211.434 37.914 -31.75296      52.79218 
1 1 1 -14 27 8  o 200.492 24.618 8.9190  2.0463 6.7708  2.7132  11.753  3.1164 168.852 38.763 226.574 33.488 -57.72253      51.22469 
1 1 1 -14 27 9  o 147.605 28.422 4.9700  1.7122 3.2286  2.3283  7.0208  2.5267 119.417 39.535 173.188 35.639 -53.77061      53.22711 
1 1 1 -14 27 10 f 148.754 26.709 5.0129  1.6207 3.5859  2.0673  7.2887  2.6108 123.844 36.758 176.130 36.212 -52.28632      51.59913 
1 1 1 -14 27 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -14 27 12 o 299.147 25.811 19.884  3.2378 0.0000  0.0000  19.884  3.2378 ?       ?      299.147 25.811 0.000000       25.81075 
1 1 1 -14 27 13 o 102.080 28.247 2.4001  1.2624 1.3184  1.6628  3.8719  1.9397 86.492  32.871 127.813 34.868 -41.32094      47.91911 
1 1 1 -14 27 14 o 167.740 34.164 6.6472  2.3445 5.2226  2.8434  9.6725  4.1435 145.357 43.101 193.231 50.186 -47.87335      66.15375 
1 1 1 -14 27 15 o 157.695 37.362 6.0285  2.4568 6.0285  2.4568  0.0000  0.0000 157.695 37.362 ?       ?      0.000000       37.36155 
1 1 1 -14 27 16 o 287.366 16.990 17.955  2.0585 14.905  3.1440  20.244  2.7234 254.977 29.671 302.945 21.365 -47.96803      36.56247 
1 1 1 -14 27 17 o 215.504 18.418 10.184  1.6647 11.008  2.5120  9.5378  2.2230 219.633 27.618 204.984 26.207 14.64949       38.07367 
1 1 1 -14 27 18 o 86.807  28.548 1.6726  1.2148 5.9908  1.8909  -1.3622 1.5851 160.500 28.881 56.547  26.470 103.9536       39.17639 
1 1 1 -14 27 19 o 167.533 19.844 6.2259  1.3805 9.1181  2.3254  4.6517  1.7156 198.969 28.404 140.575 29.745 58.39479       41.12871 
1 1 1 -14 28 1  o 70.113  30.911 -0.3221 1.7898 0.0000  0.0000  -0.3221 1.7898 ?       ?      70.113  30.911 0.000000       30.91147 
1 1 1 -14 28 2  o 206.362 40.083 10.149  3.3767 10.149  3.3767  0.0000  0.0000 206.362 40.083 ?       ?      0.000000       40.08260 
1 1 1 -14 28 3  o 371.124 30.613 30.970  4.7684 30.970  4.7684  0.0000  0.0000 371.124 30.613 ?       ?      0.000000       30.61259 
1 1 1 -14 28 4  o 108.235 33.272 2.6698  1.6730 1.3873  2.3138  4.0749  2.4218 96.187  38.143 131.408 39.963 -35.22160      55.24491 
1 1 1 -14 28 5  o 130.889 31.074 3.9744  1.6967 5.1511  2.2002  2.2478  2.6651 147.841 35.574 109.476 41.612 38.36495       54.74530 
1 1 1 -14 28 6  o 178.428 26.827 7.1610  1.9644 8.9399  2.6206  4.8793  2.9679 197.304 32.494 142.574 44.397 54.73033       55.01801 
1 1 1 -14 28 7  o 104.356 33.282 2.4459  1.6585 -0.6238 2.1459  7.0002  2.6138 74.504  33.287 172.163 36.955 -97.65888      49.73599 
1 1 1 -14 28 8  o 73.046  28.974 0.7114  1.3353 0.4002  1.6744  1.2550  2.2132 75.330  31.460 93.325  37.211 -17.99538      48.72792 
1 1 1 -14 28 9  o 93.551  31.427 1.8872  1.4703 3.2273  1.9227  0.0001  2.2816 117.805 35.559 81.921  35.530 35.88343       50.26765 
1 1 1 -14 28 10 o 61.364  26.050 0.1086  1.1780 -0.0000 1.5996  0.2374  1.7412 69.362  29.916 74.630  31.675 -5.267387      43.56979 
1 1 1 -14 28 11 o 317.860 50.785 25.396  6.6061 0.0000  0.0000  25.396  6.6061 ?       ?      317.860 50.785 0.000000       50.78514 
1 1 1 -14 28 12 o 138.379 26.164 4.3710  1.4771 3.4812  2.0043  5.4287  2.1853 121.315 36.236 151.125 34.856 -29.81020      50.27910 
1 1 1 -14 28 13 o 104.047 36.696 2.3461  2.0125 0.0000  0.0000  2.3461  2.0125 ?       ?      104.047 36.696 0.000000       36.69596 
1 1 1 -14 28 14 o 146.968 33.000 5.1280  2.0036 0.0000  0.0000  5.1280  2.0036 ?       ?      146.968 33.000 0.000000       32.99984 
1 1 1 -14 28 15 o 84.498  31.146 1.3885  1.4691 0.2731  2.4192  2.0402  1.8491 85.289  36.788 97.980  35.109 -12.69110      50.85244 
1 1 1 -14 28 16 o 275.068 27.205 17.164  3.1275 17.164  3.1275  0.0000  0.0000 275.068 27.205 ?       ?      0.000000       27.20481 
1 1 1 -14 28 17 o 134.428 31.148 4.2941  1.7385 3.2948  2.1324  6.2749  3.0022 117.267 37.774 156.611 43.639 -39.34424      57.71709 
1 1 1 -14 28 18 o 160.911 28.418 6.0128  1.8657 0.0000  0.0000  6.0128  1.8657 ?       ?      160.911 28.418 0.000000       28.41815 
1 1 1 -14 29 1  o 288.702 23.972 18.443  2.9044 20.749  4.1180  16.160  4.0970 300.884 32.852 261.841 38.062 39.04315       50.27881 
1 1 1 -14 29 2  o 382.777 33.815 33.578  5.4251 0.0000  0.0000  33.578  5.4251 ?       ?      382.777 33.815 0.000000       33.81458 
1 1 1 -14 29 3  o 89.317  37.267 0.7203  2.3466 0.7203  2.3466  0.0000  0.0000 89.317  37.267 ?       ?      0.000000       37.26736 
1 1 1 -14 29 4  o 122.712 40.465 3.4881  2.4400 3.4881  2.4400  0.0000  0.0000 122.712 40.465 ?       ?      0.000000       40.46492 
1 1 1 -14 29 5  o 299.263 22.189 19.664  2.7920 23.067  3.8130  15.730  4.0997 320.755 28.363 258.335 38.662 62.42062       47.94983 
1 1 1 -14 29 6  o 104.638 31.713 2.5067  1.5270 3.5381  2.1028  1.3559  2.2211 122.688 37.222 94.283  37.377 28.40518       52.74916 
1 1 1 -14 29 7  o 138.633 29.223 4.4387  1.6616 5.0251  2.1889  3.6411  2.5526 145.366 35.794 125.041 41.395 20.32502       54.72472 
1 1 1 -14 29 8  o 119.569 31.381 3.3420  1.6091 2.4016  2.0651  4.7951  2.5670 105.705 37.184 140.702 40.740 -34.99701      55.15860 
1 1 1 -14 29 9  o 127.662 30.273 3.8012  1.6119 1.1378  2.1633  7.1255  2.4168 90.890  36.597 174.251 33.972 -83.36080      49.93426 
1 1 1 -14 29 10 o 104.641 30.726 2.5312  1.4511 2.4538  1.8921  2.6417  2.2610 105.068 35.650 109.984 38.885 -4.916679      52.75363 
1 1 1 -14 29 11 o 104.484 47.454 -1.0131 4.5703 0.0000  0.0000  -1.0131 4.5703 ?       ?      104.484 47.454 0.000000       47.45442 
1 1 1 -14 29 12 o 172.177 21.935 6.6010  1.5631 5.9296  2.1114  7.4151  2.3251 158.627 32.523 178.119 32.000 -19.49193      45.62590 
1 1 1 -14 29 13 o 159.311 25.947 5.7848  1.6903 6.4921  2.7335  5.3468  2.1509 162.067 40.057 149.258 34.688 12.80888       52.98840 
1 1 1 -14 29 14 o 337.888 23.113 25.354  3.2874 0.0000  0.0000  25.354  3.2874 ?       ?      337.888 23.113 0.000000       23.11287 
1 1 1 -14 29 15 o 170.886 32.090 6.8963  2.2370 0.0000  0.0000  6.8963  2.2370 ?       ?      170.886 32.090 0.000000       32.09027 
1 1 1 -14 29 16 o 111.127 38.796 2.8378  2.2459 0.0000  0.0000  2.8378  2.2459 ?       ?      111.127 38.796 0.000000       38.79558 
1 1 1 -14 29 17 o 113.992 32.417 3.1031  1.6392 5.4217  2.3222  0.8008  2.3141 148.435 37.057 88.141  36.912 60.29369       52.30410 
1 1 1 -14 30 1  o 89.710  33.885 1.4745  1.7602 1.2881  2.6489  1.6219  2.3554 98.311  40.162 98.383  38.652 -0.7165527E-01 55.73991 
1 1 1 -14 30 2  o 100.891 40.522 1.5561  2.6449 0.0000  0.0000  1.5561  2.6449 ?       ?      100.891 40.522 0.000000       40.52240 
1 1 1 -14 30 3  o 81.834  34.924 0.3010  2.1377 0.0000  0.0000  0.3010  2.1377 ?       ?      81.834  34.924 0.000000       34.92400 
1 1 1 -14 30 4  o 104.457 36.934 2.3441  2.0398 2.3441  2.0398  0.0000  0.0000 104.457 36.934 ?       ?      0.000000       36.93355 
1 1 1 -14 30 5  f 147.498 38.262 5.2651  2.4103 5.2651  2.4103  0.0000  0.0000 147.498 38.262 ?       ?      0.000000       38.26178 
1 1 1 -14 30 6  o 177.322 26.654 7.1234  1.9396 7.6386  2.5885  6.4638  2.9290 179.672 35.278 161.731 42.287 17.94089       55.07062 
1 1 1 -14 30 7  o 105.529 31.057 2.5798  1.4810 0.8403  1.9477  4.9639  2.2802 84.358  34.447 143.474 37.213 -59.11537      50.70919 
1 1 1 -14 30 8  o 225.349 22.241 11.238  2.0949 10.398  2.7239  12.454  3.2776 212.373 31.217 230.730 34.612 -18.35678      46.60994 
1 1 1 -14 30 9  f 319.171 19.913 22.291  2.6781 19.294  3.4943  26.558  4.1692 291.854 28.641 342.486 29.018 -50.63217      40.77222 
1 1 1 -14 30 10 o 135.558 27.313 4.2409  1.5138 2.6341  2.0002  6.3953  2.3160 107.911 36.654 163.924 34.456 -56.01367      50.30638 
1 1 1 -14 30 11 o 133.332 54.303 3.5572  4.8243 0.0000  0.0000  3.5572  4.8243 ?       ?      133.332 54.303 0.000000       54.30339 
1 1 1 -14 30 12 o 262.625 18.028 15.060  1.9929 12.013  2.7500  18.431  2.8922 228.945 29.014 287.432 23.979 -58.48743      37.64077 
1 1 1 -14 30 13 o 165.830 25.039 6.2453  1.7037 4.7408  2.6401  7.3188  2.2301 137.822 41.684 176.893 30.894 -39.07091      51.88448 
1 1 1 -14 30 14 o 162.826 25.414 6.0450  1.6952 6.9948  2.6491  5.3864  2.2060 168.750 37.985 148.896 35.488 19.85352       51.98335 
1 1 1 -14 30 15 o 312.588 17.425 21.310  2.2975 21.936  3.5642  20.865  3.0051 310.693 27.368 305.779 23.384 4.913971       35.99767 
1 1 1 -14 30 16 o 69.457  29.923 0.0936  1.5966 0.0000  0.0000  0.0936  1.5966 ?       ?      69.457  29.923 0.000000       29.92274 
1 1 1 -14 31 1  o 99.929  34.620 2.1724  1.7869 0.2588  2.6116  3.8568  2.4501 88.449  38.187 126.881 40.451 -38.43183      55.62826 
1 1 1 -14 31 2  o 290.857 32.355 19.493  3.9178 19.493  3.9178  0.0000  0.0000 290.857 32.355 ?       ?      0.000000       32.35482 
1 1 1 -14 31 3  o 184.754 41.868 8.4279  3.2001 0.0000  0.0000  8.4279  3.2001 ?       ?      184.754 41.868 0.000000       41.86836 
1 1 1 -14 31 4  o 236.592 38.244 13.381  3.7012 0.0000  0.0000  13.381  3.7012 ?       ?      236.592 38.244 0.000000       38.24445 
1 1 1 -14 31 5  o 177.533 34.797 7.4798  2.5226 7.4798  2.5226  0.0000  0.0000 177.533 34.797 ?       ?      0.000000       34.79659 
1 1 1 -14 31 6  o 137.174 40.012 4.6078  2.4680 4.6078  2.4680  0.0000  0.0000 137.174 40.012 ?       ?      0.000000       40.01245 
1 1 1 -14 31 7  o 137.230 30.427 4.4183  1.7219 5.4624  2.3267  3.1540  2.5604 150.142 36.863 117.590 41.400 32.55264       55.43301 
1 1 1 -14 31 8  o 168.293 25.678 6.4291  1.7721 7.7890  2.4254  4.8717  2.5956 182.133 32.644 140.362 41.060 41.77066       52.45544 
1 1 1 -14 31 9  o 227.703 22.481 11.523  2.1395 11.301  2.8677  11.801  3.2133 220.617 31.596 223.295 35.142 -2.678238      47.25725 
1 1 1 -14 31 10 o 111.915 29.062 2.9394  1.3896 2.8218  1.8805  3.0808  2.0626 109.913 35.480 114.352 37.179 -4.438850      51.39166 
1 1 1 -14 31 11 o 158.787 60.098 6.8351  5.5440 0.0000  0.0000  6.8351  5.5440 ?       ?      158.787 60.098 0.000000       60.09779 
1 1 1 -14 31 12 o 226.075 21.028 11.321  1.9902 9.2818  3.0560  12.823  2.6225 194.910 38.390 237.767 26.496 -42.85703      46.64521 
1 1 1 -14 31 13 o 82.000  30.336 1.3003  1.3961 1.8587  2.2810  0.9658  1.7653 99.079  38.286 82.364  33.097 16.71445       50.60845 
1 1 1 -14 31 14 o 276.596 17.938 16.732  2.0898 13.946  3.2785  18.639  2.7123 243.731 32.578 289.544 22.291 -45.81273      39.47436 
1 1 1 -14 31 15 o 97.505  31.475 2.1849  1.4799 3.3519  2.3208  1.3853  1.9212 118.135 39.485 89.423  34.974 28.71178       52.74748 
1 1 1 -14 32 1  o 207.465 42.367 10.615  3.5965 0.0000  0.0000  10.615  3.5965 ?       ?      207.465 42.367 0.000000       42.36730 
1 1 1 -14 32 2  o 102.599 33.190 2.4021  1.6449 3.0158  2.1611  1.5568  2.5362 114.106 38.102 99.215  39.740 14.89048       55.05496 
1 1 1 -14 32 3  o 95.889  32.835 2.0117  1.6052 1.2250  2.1463  3.0101  2.4182 91.040  36.526 115.051 40.251 -24.01110      54.35302 
1 1 1 -14 32 4  o 129.617 42.756 4.0757  2.7240 0.0000  0.0000  4.0757  2.7240 ?       ?      129.617 42.756 0.000000       42.75552 
1 1 1 -14 32 5  o 237.452 36.604 13.421  3.5625 0.0000  0.0000  13.421  3.5625 ?       ?      237.452 36.604 0.000000       36.60357 
1 1 1 -14 32 6  o 165.137 36.598 6.5978  2.4922 6.5978  2.4922  0.0000  0.0000 165.137 36.598 ?       ?      0.000000       36.59816 
1 1 1 -14 32 7  o 95.441  34.626 1.8889  1.8054 1.8889  1.8054  0.0000  0.0000 95.441  34.626 ?       ?      0.000000       34.62600 
1 1 1 -14 32 8  o 102.938 30.951 2.4697  1.4587 0.3906  1.8702  5.6990  2.3308 77.748  32.904 153.090 36.472 -75.34145      49.12068 
1 1 1 -14 32 9  o 191.175 22.590 8.1698  1.7936 11.499  2.4455  4.2943  2.6385 225.365 26.107 131.800 41.972 93.56516       49.42936 
1 1 1 -14 32 10 o 190.821 23.994 8.1996  1.8961 10.839  2.5426  4.8924  2.8459 217.421 28.284 139.282 43.492 78.13899       51.88032 
1 1 1 -14 32 11 o 199.966 58.980 11.547  5.3360 0.0000  0.0000  11.547  5.3360 ?       ?      199.966 58.980 0.000000       58.97990 
1 1 1 -14 32 12 o 131.635 30.771 4.1176  1.6846 5.8535  2.6720  2.9725  2.1702 152.534 40.635 112.584 38.180 39.95027       55.75739 
1 1 1 -14 32 13 o 262.859 19.042 15.183  2.1053 11.460  3.1893  18.058  2.8028 218.448 35.708 284.162 23.501 -65.71402      42.74826 
1 1 1 -14 33 3  o 118.176 33.566 3.3237  1.7586 3.9641  2.2933  2.4096  2.7399 127.765 38.897 109.823 42.085 17.94193       57.30675 
1 1 1 -14 33 4  o 92.096  32.449 1.8015  1.5732 2.8434  2.1407  0.5780  2.3197 111.246 37.919 86.603  36.648 24.64366       52.73392 
1 1 1 -14 33 5  o 269.298 35.276 17.129  3.9263 0.0000  0.0000  17.129  3.9263 ?       ?      269.298 35.276 0.000000       35.27591 
1 1 1 -14 33 6  f 72.937  32.230 -0.2735 1.9568 0.0000  0.0000  -0.2735 1.9568 ?       ?      72.937  32.230 0.000000       32.23024 
1 1 1 -14 33 7  o 77.915  32.200 0.6287  1.7280 0.6287  1.7280  0.0000  0.0000 77.915  32.200 ?       ?      0.000000       32.20003 
1 1 1 -14 33 8  f 140.759 33.938 4.7732  1.9995 5.2660  2.1660  1.9330  5.2001 147.399 35.187 123.919 53.692 23.47986       64.19447 
1 1 1 -14 33 9  o 234.747 19.983 12.155  1.9677 12.097  2.7668  12.214  2.7990 229.193 29.167 230.173 29.385 -0.9799194     41.40285 
1 1 1 -14 33 10 o 120.169 28.896 3.4034  1.4525 3.0519  1.8614  3.9507  2.3226 113.098 35.150 126.763 39.242 -13.66518      52.68291 
1 1 1 -14 33 11 o 114.219 37.292 3.1092  2.0743 0.0000  0.0000  3.1092  2.0743 ?       ?      114.219 37.292 0.000000       37.29173 
1 1 1 -14 34 7  o 193.157 33.656 8.8570  2.6530 0.0000  0.0000  8.8570  2.6530 ?       ?      193.157 33.656 0.000000       33.65648 
1 1 1 -13 0  1  o 367.485 23.998 29.059  3.6982 29.872  5.1597  28.201  5.3033 369.867 33.577 358.354 35.762 -0.000000      0.000000 
1 1 1 -13 0  2  o 333.154 24.846 23.976  3.4606 17.732  4.7657  30.942  5.0333 278.372 43.623 377.128 32.048 -0.000000      0.000000 
1 1 1 -13 0  3  o 770.786 23.525 126.557 7.6629 126.064 10.783  127.059 10.892 766.968 33.342 769.947 33.548 0.000000       0.000000 
1 1 1 -13 0  4  o 449.063 33.255 43.665  6.2445 0.0000  0.0000  43.665  6.2445 449.063 33.255 449.063 33.255 0.000000       0.000000 
1 1 1 -13 0  5  o 234.758 41.430 12.799  3.7360 0.0000  0.0000  12.799  3.7360 234.758 41.430 234.758 41.430 -0.000000      0.000000 
1 1 1 -13 0  6  o 239.715 25.078 12.605  2.4821 15.451  3.5358  9.8395  3.4851 263.317 33.132 199.849 47.438 0.000000       0.000000 
1 1 1 -13 0  7  o 217.594 26.516 10.503  2.3466 13.213  3.2970  7.7199  3.3405 242.187 34.087 169.687 53.004 0.000000       0.000000 
1 1 1 -13 0  8  o 399.942 22.630 34.297  3.8047 36.540  5.3342  31.974  5.4284 410.764 31.073 382.818 34.107 0.000000       0.000000 
1 1 1 -13 0  9  o 323.776 22.931 22.600  3.1079 18.666  4.2880  26.955  4.5111 289.092 36.625 351.809 30.822 0.000000       0.000000 
1 1 1 -13 0  10 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 0  11 o 351.749 32.874 27.062  4.7986 27.062  4.7986  0.0000  0.0000 351.749 32.874 351.749 32.874 -0.000000      0.000000 
1 1 1 -13 0  12 o 233.099 33.910 12.297  3.1408 0.0000  0.0000  12.297  3.1408 233.099 33.910 233.099 33.910 -0.000000      0.000000 
1 1 1 -13 0  13 o 168.086 26.194 6.4294  1.7297 5.8914  2.5828  6.8670  2.3291 147.779 46.898 168.361 37.372 -0.000000      0.000000 
1 1 1 -13 0  14 o 466.016 20.725 46.424  4.0718 48.195  5.4291  44.147  6.1559 473.266 27.296 451.128 32.614 0.000000       0.000000 
1 1 1 -13 0  15 o 213.651 21.651 10.001  1.9128 7.8932  2.4924  13.021  2.9837 182.341 36.360 241.433 30.507 0.000000       0.000000 
1 1 1 -13 0  16 o 1092.31 22.731 254.334 10.505 266.885 15.960  244.740 13.954 1114.50 33.885 1068.46 30.896 -0.000000      0.000000 
1 1 1 -13 0  17 o 69.901  31.954 1.5188  1.0302 1.2201  1.2875  2.0505  1.7178 63.336  34.290 80.444  40.643 0.000000       0.000000 
1 1 1 -13 0  18 o 596.875 31.477 77.003  7.9060 77.003  7.9060  0.0000  0.0000 596.875 31.477 596.875 31.477 -0.000000      0.000000 
1 1 1 -13 0  19 o 718.735 24.247 110.645 7.3613 0.0000  0.0000  110.645 7.3613 718.735 24.247 718.735 24.247 -0.000000      0.000000 
1 1 1 -13 0  20 o 703.761 18.489 105.628 5.5018 86.006  9.3370  116.065 6.8095 628.589 35.330 736.755 21.868 -0.000000      0.000000 
1 1 1 -13 0  21 o 215.669 33.037 10.674  2.8070 10.674  2.8070  0.0000  0.0000 215.669 33.037 215.669 33.037 -0.000000      0.000000 
1 1 1 -13 0  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 0  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 0  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 0  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 0  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 0  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 1  1  o 250.685 18.291 13.432  1.9285 11.922  2.7050  14.993  2.7501 234.578 27.768 263.937 24.898 -29.35916      37.29556 
1 1 1 -13 1  2  o 354.090 16.711 26.637  2.5059 25.536  3.5253  27.762  3.5627 345.222 24.267 360.155 23.487 -14.93396      33.77195 
1 1 1 -13 1  3  o 533.816 16.215 60.525  3.6656 56.876  5.1649  64.228  5.2033 516.587 23.609 549.145 22.374 -32.55731      32.52656 
1 1 1 -13 1  4  o 586.259 23.057 73.225  5.7245 81.679  8.1149  64.852  8.0766 616.855 31.165 548.480 34.953 68.37500       46.82941 
1 1 1 -13 1  5  o 331.910 23.733 23.597  3.3140 18.131  4.5977  29.507  4.7810 287.682 38.722 370.030 30.789 -82.34787      49.47079 
1 1 1 -13 1  6  o 313.144 19.329 20.933  2.5508 23.502  4.4079  19.639  3.1277 329.697 31.971 302.494 24.629 27.20279       40.35787 
1 1 1 -13 1  7  o 338.847 16.069 24.386  2.3059 24.410  3.2562  24.363  3.2658 337.716 22.903 337.376 22.994 0.3403015      32.45462 
1 1 1 -13 1  8  o 219.272 17.737 10.286  1.6329 9.2614  2.2910  11.343  2.3280 206.558 26.824 229.369 24.338 -22.81151      36.21962 
1 1 1 -13 1  9  o 542.658 15.669 62.544  3.6008 62.702  5.0569  62.382  5.1285 542.541 22.009 541.100 22.380 1.440552       31.38944 
1 1 1 -13 1  10 o 499.796 30.905 53.740  6.5092 0.0000  0.0000  53.740  6.5092 ?       ?      499.796 30.905 0.000000       30.90483 
1 1 1 -13 1  11 o 278.571 18.467 16.579  2.1663 16.984  2.6180  15.700  3.8577 281.429 22.146 267.974 34.815 13.45428       41.26187 
1 1 1 -13 1  12 o 288.367 22.255 17.837  2.6967 0.0000  0.0000  17.837  2.6967 ?       ?      288.367 22.255 0.000000       22.25466 
1 1 1 -13 1  13 f 311.229 17.064 20.665  2.2405 20.464  2.7530  21.058  3.8556 309.090 21.160 311.901 29.542 -2.810974      36.33791 
1 1 1 -13 1  14 o 477.094 14.543 48.371  2.9383 48.049  4.1023  48.710  4.2107 474.676 20.408 477.863 20.807 -3.187195      29.14427 
1 1 1 -13 1  15 o 302.123 14.420 19.404  1.8450 20.729  2.5963  18.051  2.6225 311.117 19.808 289.935 21.511 21.18149       29.24229 
1 1 1 -13 1  16 o 596.732 14.227 75.720  3.5954 79.251  5.0374  72.053  5.1333 609.354 19.520 580.691 20.874 28.66345       28.57938 
1 1 1 -13 1  17 o 600.279 14.034 76.647  3.5676 77.304  5.0130  75.972  5.0784 601.531 19.678 596.209 20.113 5.322021       28.13871 
1 1 1 -13 1  18 o 522.035 16.056 58.084  3.5497 59.094  4.1626  55.391  6.7958 525.948 18.689 503.987 32.006 21.96094       37.06324 
1 1 1 -13 1  19 o 352.993 18.623 26.711  2.7741 0.0000  0.0000  26.711  2.7741 ?       ?      352.993 18.623 0.000000       18.62319 
1 1 1 -13 1  20 o 650.406 15.520 90.225  4.2749 89.790  6.0340  90.662  6.0573 646.474 22.040 649.615 22.018 -3.140076      31.15372 
1 1 1 -13 1  21 o 393.733 30.718 34.048  5.0815 0.0000  0.0000  34.048  5.0815 ?       ?      393.733 30.718 0.000000       30.71835 
1 1 1 -13 1  22 o 261.483 23.422 14.897  2.5662 14.897  2.5662  0.0000  0.0000 261.483 23.422 ?       ?      0.000000       23.42188 
1 1 1 -13 1  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 1  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 1  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 1  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 1  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 1  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 2  1  f 418.472 16.512 37.207  2.9263 37.975  4.1038  36.412  4.1739 421.472 23.080 412.517 23.996 8.954559       33.29386 
1 1 1 -13 2  2  o 620.482 16.376 81.785  4.3032 79.313  6.0385  84.335  6.1338 610.016 23.375 629.094 23.023 -19.07861      32.80933 
1 1 1 -13 2  3  o 1015.68 17.383 219.217 7.4771 217.336 10.515  221.139 10.634 1009.53 24.596 1018.30 24.659 -8.776062      34.82849 
1 1 1 -13 2  4  o 604.751 23.166 77.925  5.9331 91.548  8.4602  64.740  8.3228 653.987 30.547 547.667 36.087 106.3197       47.27971 
1 1 1 -13 2  5  o 276.817 24.504 16.464  2.8429 15.010  3.8982  18.116  4.1550 261.918 36.104 288.499 34.705 -26.57999      50.07893 
1 1 1 -13 2  6  o 363.546 18.802 28.176  2.8849 25.711  4.9162  29.471  3.5628 344.486 34.148 371.252 22.771 -26.76602      41.04414 
1 1 1 -13 2  7  o 292.205 16.690 18.198  2.0568 19.942  2.8851  16.395  2.9330 305.159 22.483 276.069 25.371 29.09061       33.89938 
1 1 1 -13 2  8  o 375.096 15.799 29.882  2.5097 28.962  3.4906  30.867  3.6108 368.030 22.505 379.976 22.540 -11.94672      31.85128 
1 1 1 -13 2  9  o 534.843 15.653 60.756  3.5455 58.148  4.9377  63.532  5.0941 522.416 22.318 546.111 22.026 -23.69519      31.35708 
1 1 1 -13 2  10 o 950.349 33.187 193.966 13.357 0.0000  0.0000  193.966 13.357 ?       ?      950.349 33.187 0.000000       33.18731 
1 1 1 -13 2  11 o 547.752 21.274 63.922  4.9349 63.922  4.9349  0.0000  0.0000 547.752 21.274 ?       ?      0.000000       21.27420 
1 1 1 -13 2  12 f 320.538 22.454 22.020  3.0287 0.0000  0.0000  22.020  3.0287 ?       ?      320.538 22.454 0.000000       22.45371 
1 1 1 -13 2  13 f 368.658 16.723 28.904  2.6109 28.792  3.1745  29.139  4.5897 366.978 20.509 367.257 29.766 -0.2797241     36.14749 
1 1 1 -13 2  14 o 347.305 14.544 25.634  2.1391 27.342  2.9522  23.745  3.1037 357.644 19.566 332.756 22.151 24.88870       29.55533 
1 1 1 -13 2  15 o 614.193 14.563 80.199  3.7880 86.392  5.2390  73.415  5.4833 636.467 19.437 586.115 22.091 50.35168       29.42465 
1 1 1 -13 2  16 o 456.389 14.086 44.289  2.7225 43.724  3.7653  44.908  3.9411 452.579 19.645 458.540 20.295 -5.960419      28.24592 
1 1 1 -13 2  17 o 978.314 15.371 203.775 6.3681 214.575 8.8944  192.415 9.1217 1001.55 20.970 947.586 22.731 53.96448       30.92621 
1 1 1 -13 2  18 o 252.072 19.172 13.657  2.0313 11.837  2.5168  17.059  3.4402 233.070 25.939 279.280 29.535 -46.21025      39.30859 
1 1 1 -13 2  19 o 273.823 19.117 16.114  2.2029 0.0000  0.0000  16.114  2.2029 ?       ?      273.823 19.117 0.000000       19.11683 
1 1 1 -13 2  20 o 254.830 14.577 13.883  1.5666 13.512  2.2092  14.258  2.2219 250.091 21.055 257.057 20.583 -6.965958      29.44409 
1 1 1 -13 2  21 o 250.819 17.914 13.531  1.8903 16.483  2.2831  7.0967  3.3707 276.549 19.622 173.953 45.306 102.5958       49.37282 
1 1 1 -13 2  22 o 475.260 18.722 48.485  3.7681 56.853  4.7341  34.017  6.2246 513.417 21.773 388.210 38.364 125.2069       44.11197 
1 1 1 -13 2  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 2  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 2  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 2  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 2  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 2  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 3  1  o 601.227 16.392 76.800  4.1737 77.896  5.8331  75.651  5.9746 604.548 22.784 595.617 23.686 8.930603       32.86537 
1 1 1 -13 3  2  o 487.321 16.270 50.448  3.3578 50.966  4.7033  49.909  4.7952 489.074 22.708 483.881 23.401 5.193024       32.60750 
1 1 1 -13 3  3  o 259.152 17.539 14.337  1.9136 15.991  2.6196  12.445  2.8020 273.024 22.867 239.714 28.137 33.31050       36.25685 
1 1 1 -13 3  4  o 416.483 23.027 37.069  4.0456 36.696  5.6319  37.465  5.8152 412.512 32.502 416.668 33.232 -4.155853      46.48356 
1 1 1 -13 3  5  o 498.095 18.569 52.746  3.9169 50.141  6.5923  54.168  4.8696 482.594 32.445 504.247 22.804 -21.65244      39.65692 
1 1 1 -13 3  6  o 432.104 22.521 39.879  4.1069 40.788  5.7107  38.905  5.9105 435.320 31.184 424.660 33.128 10.65970       45.49572 
1 1 1 -13 3  7  o 411.136 15.848 35.900  2.7593 36.105  3.8333  35.679  3.9749 411.142 22.097 408.548 23.068 2.594147       31.94420 
1 1 1 -13 3  8  o 363.288 15.918 28.032  2.4490 27.472  3.3943  28.641  3.5369 358.397 22.477 365.897 22.942 -7.499451      32.11788 
1 1 1 -13 3  9  o 489.359 15.591 50.862  3.2310 54.192  4.4981  47.313  4.6440 504.491 21.054 471.094 23.278 33.39688       31.38673 
1 1 1 -13 3  10 o 262.292 23.684 14.791  2.6024 0.0000  0.0000  14.791  2.6024 ?       ?      262.292 23.684 0.000000       23.68358 
1 1 1 -13 3  11 o 506.522 17.560 54.557  3.7667 52.564  4.4993  59.224  6.8868 496.679 21.391 524.489 31.145 -27.81052      37.78315 
1 1 1 -13 3  12 o 517.912 30.665 57.773  6.6958 0.0000  0.0000  57.773  6.6958 ?       ?      517.912 30.665 0.000000       30.66486 
1 1 1 -13 3  13 o 676.948 17.238 97.492  4.9419 98.527  5.9855  95.275  8.7592 679.806 20.791 665.699 31.070 14.10718       37.38474 
1 1 1 -13 3  14 o 171.981 16.342 6.3480  1.1759 5.7962  1.5902  7.0138  1.7468 162.998 23.733 179.651 23.525 -16.65230      33.41714 
1 1 1 -13 3  15 f 587.851 16.617 73.561  4.1368 78.914  6.5708  70.046  5.3244 606.676 25.575 572.508 21.961 34.16742       33.70978 
1 1 1 -13 3  16 o 614.410 16.373 80.390  4.2602 76.818  6.7769  82.723  5.4779 597.776 26.770 622.184 20.790 -24.40839      33.89463 
1 1 1 -13 3  17 o 379.296 15.546 30.636  2.4971 30.255  3.9484  30.889  3.2236 374.456 25.043 379.623 20.124 -5.167023      32.12627 
1 1 1 -13 3  18 f 416.125 14.826 36.874  2.6127 35.287  4.0255  38.029  3.4345 404.669 23.592 421.784 19.228 -17.11487      30.43472 
1 1 1 -13 3  19 o 488.824 14.423 50.892  2.9857 50.643  4.5059  51.087  3.9865 485.786 21.902 488.647 19.264 -2.860565      29.16894 
1 1 1 -13 3  20 o 157.791 36.380 5.6887  2.3813 0.0000  0.0000  5.6887  2.3813 ?       ?      157.791 36.380 0.000000       36.38025 
1 1 1 -13 3  21 o 318.515 21.031 21.895  2.8208 21.895  2.8208  0.0000  0.0000 318.515 21.031 ?       ?      0.000000       21.03085 
1 1 1 -13 3  22 o 136.012 23.377 4.1074  1.2980 5.1495  1.6827  2.5766  2.0395 151.626 27.205 109.966 37.014 41.66059       45.93641 
1 1 1 -13 3  23 o 82.809  27.062 1.4567  1.0923 2.0639  1.7669  1.0811  1.3896 99.715  34.434 79.983  30.131 19.73123       45.75551 
1 1 1 -13 3  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 3  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 3  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 3  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 3  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 4  1  o 569.117 16.322 68.818  3.9338 68.731  5.5145  68.908  5.6132 567.815 22.933 568.480 23.316 -0.6644897     32.70378 
1 1 1 -13 4  2  o 284.505 17.142 17.263  2.0557 17.681  2.9080  16.846  2.9063 286.936 24.156 279.933 24.772 7.003113       34.59977 
1 1 1 -13 4  3  o 711.292 16.377 107.476 4.9331 108.675 6.8905  106.214 7.0658 714.177 22.783 705.875 23.637 8.302002       32.82907 
1 1 1 -13 4  4  f 570.851 18.524 69.284  4.4782 69.648  5.4214  68.501  7.9451 571.814 22.388 564.093 33.408 7.721191       40.21539 
1 1 1 -13 4  5  o 417.426 23.365 37.248  4.1138 0.0000  0.0000  37.248  4.1138 ?       ?      417.426 23.365 0.000000       23.36526 
1 1 1 -13 4  6  o 459.955 18.231 44.974  3.5512 44.652  4.3084  45.658  6.2718 457.862 22.220 460.390 32.374 -2.528473      39.26562 
1 1 1 -13 4  7  o 456.113 15.818 44.185  3.0553 42.650  4.2365  45.848  4.4106 447.447 22.357 463.909 22.450 -16.46204      31.68362 
1 1 1 -13 4  8  o 551.817 15.741 64.674  3.6786 71.609  5.1117  57.225  5.2980 579.986 20.812 517.997 24.151 61.98926       31.88110 
1 1 1 -13 4  9  f 586.556 18.001 73.151  4.4714 80.263  5.3932  57.514  7.9968 613.996 20.741 515.477 36.876 98.51935       42.30879 
1 1 1 -13 4  10 o 708.233 18.564 106.695 5.5680 107.158 9.5189  106.454 6.8649 706.669 31.807 706.588 22.942 0.8081055E-01  39.21762 
1 1 1 -13 4  11 o 323.146 17.681 22.273  2.4105 21.947  2.8633  23.067  4.4664 320.246 21.233 326.052 32.791 -5.805450      39.06508 
1 1 1 -13 4  12 o 546.233 22.170 63.642  5.1284 0.0000  0.0000  63.642  5.1284 ?       ?      546.233 22.170 0.000000       22.16962 
1 1 1 -13 4  13 o 307.604 17.289 20.195  2.2431 18.932  3.6047  20.993  2.8654 295.616 29.174 312.933 21.757 -17.31696      36.39358 
1 1 1 -13 4  14 o 548.307 19.728 64.098  4.5808 60.253  6.0884  69.114  6.9540 529.291 27.255 566.377 29.091 -37.08636      39.86338 
1 1 1 -13 4  15 o 310.056 16.495 20.521  2.1580 17.577  3.3479  22.614  2.8228 284.599 28.146 324.818 20.628 -40.21857      34.89565 
1 1 1 -13 4  16 o 609.260 16.461 79.058  4.2472 77.042  6.6774  80.428  5.5041 598.739 26.335 613.347 21.190 -14.60834      33.80135 
1 1 1 -13 4  17 o 636.938 16.074 86.430  4.3359 82.554  6.7942  89.094  5.6318 619.483 25.898 645.413 20.605 -25.92969      33.09457 
1 1 1 -13 4  18 o 326.013 15.046 22.638  2.0774 26.584  3.1846  19.715  2.7408 351.580 21.492 302.576 21.530 49.00391       30.42079 
1 1 1 -13 4  19 o 502.533 14.496 53.793  3.0850 52.824  4.6251  54.570  4.1407 496.069 22.016 504.976 19.363 -8.907471      29.31894 
1 1 1 -13 4  20 o 99.550  18.232 2.1847  0.7403 3.5382  1.2148  1.3851  0.9337 126.239 23.590 80.229  24.889 46.01014       34.29221 
1 1 1 -13 4  21 o 307.619 31.854 20.933  4.0895 0.0000  0.0000  20.933  4.0895 ?       ?      307.619 31.854 0.000000       31.85356 
1 1 1 -13 4  22 o 351.955 22.903 26.887  3.3950 26.887  3.3950  0.0000  0.0000 351.955 22.903 ?       ?      0.000000       22.90263 
1 1 1 -13 4  23 o 236.735 29.286 12.503  2.8734 12.503  2.8734  0.0000  0.0000 236.735 29.286 ?       ?      0.000000       29.28572 
1 1 1 -13 4  24 o 148.976 33.573 5.1444  2.0674 0.0000  0.0000  5.1444  2.0674 ?       ?      148.976 33.573 0.000000       33.57255 
1 1 1 -13 4  25 o 142.172 32.749 4.6977  1.9312 0.0000  0.0000  4.6977  1.9312 ?       ?      142.172 32.749 0.000000       32.74933 
1 1 1 -13 4  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 4  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 4  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 5  1  o 272.277 17.504 15.825  2.0077 17.356  2.8646  14.347  2.8146 284.232 24.023 257.862 26.136 26.37045       35.49919 
1 1 1 -13 5  2  o 268.409 17.334 15.375  1.9598 14.282  2.7427  16.516  2.8012 257.430 25.493 277.251 24.098 -19.82031      35.07992 
1 1 1 -13 5  3  o 402.820 16.157 34.469  2.7562 35.382  3.8486  33.507  3.9489 406.915 22.420 395.745 23.671 11.16971       32.60333 
1 1 1 -13 5  4  o 661.907 18.688 93.162  5.2385 94.326  6.3419  90.662  9.2937 665.401 22.506 648.989 33.933 16.41229       40.71799 
1 1 1 -13 5  5  o 303.824 23.840 19.799  3.0428 0.0000  0.0000  19.799  3.0428 ?       ?      303.824 23.840 0.000000       23.84027 
1 1 1 -13 5  6  o 349.595 18.755 26.063  2.7665 27.147  3.3411  23.698  4.9342 356.309 22.253 330.124 35.871 26.18448       42.21271 
1 1 1 -13 5  7  o 314.712 16.248 21.096  2.1582 20.380  2.9590  21.909  3.1545 308.427 22.816 319.741 23.460 -11.31470      32.72564 
1 1 1 -13 5  8  o 224.369 17.307 10.763  1.6318 12.013  2.2339  9.3326  2.3893 236.369 22.592 207.109 27.956 29.26056       35.94288 
1 1 1 -13 5  9  o 560.796 17.815 66.866  4.2308 65.670  5.0733  69.596  7.6668 555.230 21.576 568.695 31.964 -13.46497      38.56429 
1 1 1 -13 5  10 o 361.134 22.949 27.921  3.4915 0.0000  0.0000  27.921  3.4915 ?       ?      361.134 22.949 0.000000       22.94894 
1 1 1 -13 5  11 o 264.109 22.270 14.977  2.4676 14.363  3.2297  15.839  3.8247 257.080 30.243 269.194 34.332 -12.11322      45.75290 
1 1 1 -13 5  12 o 247.449 18.557 13.105  1.9305 11.455  3.0390  14.222  2.4996 228.644 32.284 257.087 23.209 -28.44249      39.76033 
1 1 1 -13 5  13 o 333.308 22.568 23.827  3.1667 0.0000  0.0000  23.827  3.1667 ?       ?      333.308 22.568 0.000000       22.56777 
1 1 1 -13 5  14 o 475.487 19.754 48.211  3.9778 47.320  5.2874  49.372  6.0380 468.978 26.733 478.117 29.972 -9.138092      40.16199 
1 1 1 -13 5  15 o 276.689 16.835 16.361  1.9632 15.499  2.9925  17.012  2.6013 267.368 26.789 281.264 22.014 -13.89554      34.67403 
1 1 1 -13 5  16 o 535.599 16.369 61.099  3.7127 63.509  5.7592  59.385  4.8566 543.949 25.001 526.856 21.767 17.09326       33.14917 
1 1 1 -13 5  17 o 419.360 19.183 37.568  3.4067 37.671  4.2971  37.395  5.5894 418.127 24.373 413.968 32.135 4.158905       40.33229 
1 1 1 -13 5  18 o 509.727 15.073 55.347  3.2538 55.818  4.9227  54.981  4.3360 509.935 22.795 506.839 20.201 3.096588       30.45816 
1 1 1 -13 5  19 o 560.289 14.545 66.875  3.4512 63.915  5.1487  69.291  4.6507 545.534 22.286 569.013 19.300 -23.47961      29.48145 
1 1 1 -13 5  20 o 362.810 13.696 28.035  2.1043 30.213  3.1751  26.329  2.8102 374.875 20.073 350.155 19.022 24.71948       27.65426 
1 1 1 -13 5  21 o 422.246 17.213 38.144  3.0780 35.944  3.7574  42.631  5.3666 408.070 21.822 441.451 28.865 -33.38184      36.18541 
1 1 1 -13 5  22 o 529.127 30.955 61.788  6.9063 0.0000  0.0000  61.788  6.9063 ?       ?      529.127 30.955 0.000000       30.95543 
1 1 1 -13 5  23 o 193.368 29.676 8.4111  2.3525 8.4111  2.3525  0.0000  0.0000 193.368 29.676 ?       ?      0.000000       29.67561 
1 1 1 -13 5  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 5  25 o 246.552 30.797 13.731  3.1455 0.0000  0.0000  13.731  3.1455 ?       ?      246.552 30.797 0.000000       30.79737 
1 1 1 -13 5  26 o 124.527 31.902 3.6307  1.6899 0.0000  0.0000  3.6307  1.6899 ?       ?      124.527 31.902 0.000000       31.90203 
1 1 1 -13 5  27 o 167.495 30.917 6.5144  2.1122 0.0000  0.0000  6.5144  2.1122 ?       ?      167.495 30.917 0.000000       30.91685 
1 1 1 -13 5  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 6  1  o 169.267 19.921 6.1820  1.4007 4.7863  1.9543  7.6560  2.0085 146.525 32.359 187.567 25.984 -41.04160      41.50036 
1 1 1 -13 6  2  o 180.894 19.966 7.0479  1.5040 8.0720  2.1476  6.0620  2.1071 192.506 27.092 165.542 31.200 26.96371       41.32094 
1 1 1 -13 6  3  o 629.575 16.190 84.204  4.3165 88.727  6.0323  79.459  6.1793 645.354 22.072 610.399 23.905 34.95441       32.53614 
1 1 1 -13 6  4  o 210.451 21.136 9.5230  1.8582 9.7518  2.2846  9.0757  3.1943 212.179 25.967 201.934 38.762 10.24492       46.65625 
1 1 1 -13 6  5  o 162.646 29.484 5.8314  1.9560 0.0000  0.0000  5.8314  1.9560 ?       ?      162.646 29.484 0.000000       29.48352 
1 1 1 -13 6  6  o 328.568 22.395 23.106  3.0976 26.128  4.2597  19.715  4.5124 348.267 29.150 300.657 36.165 47.60999       46.45059 
1 1 1 -13 6  7  o 250.272 19.318 13.403  2.0316 10.184  3.3547  15.267  2.5530 214.266 38.380 266.692 22.825 -52.42531      44.65412 
1 1 1 -13 6  8  o 114.199 28.419 2.8991  1.3689 4.9865  2.2307  1.6381  1.7337 149.310 35.751 94.746  33.991 54.56425       49.33073 
1 1 1 -13 6  9  o 301.194 22.314 19.439  2.8259 18.485  3.7226  20.737  4.3412 292.138 30.541 308.881 33.736 -16.74280      45.50711 
1 1 1 -13 6  10 o 623.698 17.800 82.729  4.7016 81.328  7.5261  83.625  6.0211 616.223 28.840 626.214 22.705 -9.990540      36.70446 
1 1 1 -13 6  11 o 143.292 37.582 4.5978  2.3088 4.5978  2.3088  0.0000  0.0000 143.292 37.582 ?       ?      0.000000       37.58156 
1 1 1 -13 6  12 o 236.885 18.671 12.020  1.8578 12.116  2.9106  11.954  2.4134 235.780 29.816 235.247 24.588 0.5338440      38.64701 
1 1 1 -13 6  13 o 643.281 32.741 89.427  8.8899 0.0000  0.0000  89.427  8.8899 ?       ?      643.281 32.741 0.000000       32.74079 
1 1 1 -13 6  14 o 650.938 17.018 90.201  4.6913 80.870  7.3083  96.741  6.1183 613.526 28.128 673.065 21.465 -59.53851      35.38258 
1 1 1 -13 6  15 o 474.426 19.256 48.019  3.8688 45.024  5.0702  52.195  5.9857 457.186 26.298 491.522 28.883 -34.33563      39.06179 
1 1 1 -13 6  16 o 728.911 16.985 113.228 5.2429 112.635 8.1335  113.649 6.8579 723.667 26.540 728.606 22.226 -4.939697      34.61690 
1 1 1 -13 6  17 o 279.254 19.472 16.745  2.2884 18.761  2.8836  13.315  3.7608 294.823 23.285 244.025 37.600 50.79826       44.22612 
1 1 1 -13 6  18 o 259.437 15.182 14.388  1.6608 13.085  2.4962  15.423  2.2246 245.500 24.330 267.783 19.756 -22.28334      31.34088 
1 1 1 -13 6  19 o 336.865 14.253 24.170  2.0333 24.424  3.0108  23.958  2.7570 336.785 21.218 333.957 19.580 2.828094       28.87202 
1 1 1 -13 6  20 o 246.425 14.188 12.982  1.4744 13.761  2.2363  12.383  1.9608 252.311 21.124 239.630 19.491 12.68024       28.74242 
1 1 1 -13 6  21 f 285.333 17.527 17.491  2.1077 17.022  2.5832  18.426  3.6454 280.324 21.935 288.893 30.245 -8.569550      37.36145 
1 1 1 -13 6  22 o 556.988 18.478 66.628  4.3587 74.795  5.4781  52.538  7.1954 588.421 21.984 484.569 35.307 103.8524       41.59130 
1 1 1 -13 6  23 o 269.605 30.798 16.270  3.4533 0.0000  0.0000  16.270  3.4533 ?       ?      269.605 30.798 0.000000       30.79797 
1 1 1 -13 6  24 o 578.958 21.157 72.625  5.1873 83.288  7.3761  62.192  7.2965 614.480 28.345 526.508 32.889 87.97150       43.41780 
1 1 1 -13 6  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 6  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 6  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 6  28 o 315.796 26.997 22.416  3.5758 0.0000  0.0000  22.416  3.5758 ?       ?      315.796 26.997 0.000000       26.99680 
1 1 1 -13 7  1  o 253.032 21.731 13.744  2.3060 13.943  3.8630  13.634  2.8743 251.609 37.391 250.989 27.491 0.6195068      46.40962 
1 1 1 -13 7  2  o 305.458 19.882 19.943  2.5579 20.184  4.3032  19.812  3.1809 304.624 33.934 303.630 24.958 0.9938354      42.12397 
1 1 1 -13 7  3  o 508.611 18.551 55.018  3.9957 51.164  6.7115  57.134  4.9730 487.158 32.721 517.735 22.681 -30.57654      39.81371 
1 1 1 -13 7  4  o 308.859 23.305 20.451  3.0258 20.845  4.1804  20.019  4.3851 310.099 32.307 303.269 34.772 6.830170       47.46366 
1 1 1 -13 7  5  o 304.681 24.065 19.920  3.0798 0.0000  0.0000  19.920  3.0798 ?       ?      304.681 24.065 0.000000       24.06499 
1 1 1 -13 7  6  o 810.241 18.846 139.634 6.4666 134.450 10.695  142.622 8.1188 791.760 31.896 817.862 23.441 -26.10181      39.58287 
1 1 1 -13 7  7  o 907.842 22.991 175.700 8.8390 176.315 12.076  174.990 12.972 906.772 31.448 902.426 33.944 4.345886       46.27249 
1 1 1 -13 7  8  o 214.977 20.230 9.9240  1.8201 12.112  2.9867  8.6312  2.2956 235.823 30.629 198.983 28.018 36.84027       41.51098 
1 1 1 -13 7  9  o 392.559 21.664 32.936  3.5876 35.384  4.7767  29.769  5.4339 405.704 27.973 370.302 35.069 35.40189       44.85891 
1 1 1 -13 7  10 o 495.500 17.652 52.217  3.7042 55.447  5.9235  50.143  4.7468 508.252 27.624 484.800 23.120 23.45221       36.02275 
1 1 1 -13 7  11 o 243.430 31.051 12.925  3.1281 12.925  3.1281  0.0000  0.0000 243.430 31.051 ?       ?      0.000000       31.05090 
1 1 1 -13 7  12 o 231.251 18.745 11.461  1.8199 10.425  2.8201  12.200  2.3824 218.032 31.452 237.764 23.989 -19.73193      39.55655 
1 1 1 -13 7  13 o 197.960 19.524 8.4324  1.6155 10.442  2.5353  7.0589  2.0961 218.871 27.994 179.186 28.583 39.68489       40.00839 
1 1 1 -13 7  14 o 604.687 22.239 78.152  5.6950 0.0000  0.0000  78.152  5.6950 ?       ?      604.687 22.239 0.000000       22.23926 
1 1 1 -13 7  15 f 648.551 19.848 89.797  5.4514 84.889  7.1291  96.709  8.4594 628.472 26.786 669.612 29.831 -41.14056      40.09221 
1 1 1 -13 7  16 o 724.444 16.686 111.836 5.1191 98.633  7.8499  121.605 6.7524 676.718 27.391 753.977 21.147 -77.25903      34.60474 
1 1 1 -13 7  17 o 501.047 15.687 53.486  3.3285 54.245  4.9592  52.865  4.4902 502.732 23.293 496.832 21.341 5.899567       31.59139 
1 1 1 -13 7  18 o 306.774 15.172 20.053  1.9710 20.785  2.9099  19.432  2.6793 310.439 22.282 300.376 21.199 10.06293       30.75502 
1 1 1 -13 7  19 o 326.845 14.666 22.764  2.0299 27.638  2.9894  18.594  2.7652 358.690 19.756 293.338 22.430 65.35199       29.88966 
1 1 1 -13 7  20 o 588.258 14.432 73.766  3.5954 73.210  5.3817  74.214  4.8319 583.555 21.777 588.463 19.389 -4.908081      29.15749 
1 1 1 -13 7  21 f 179.216 19.316 6.9699  1.4428 6.8354  1.7849  7.2235  2.4508 176.149 24.598 178.429 33.669 -2.279861      41.69717 
1 1 1 -13 7  22 o 511.155 17.938 56.090  3.8831 56.786  4.8872  54.896  6.3953 512.309 22.526 498.527 30.438 13.78152       37.86639 
1 1 1 -13 7  23 f 111.248 24.062 2.7926  1.1007 2.3025  1.4985  3.3669  1.6220 101.648 31.529 120.979 31.389 -19.33080      44.49037 
1 1 1 -13 7  24 o 224.120 22.326 11.013  2.0908 12.263  3.2106  10.093  2.7551 231.871 33.681 210.796 31.856 21.07523       46.35973 
1 1 1 -13 7  25 o 315.427 28.309 22.204  3.7412 0.0000  0.0000  22.204  3.7412 ?       ?      315.427 28.309 0.000000       28.30887 
1 1 1 -13 7  26 o 364.845 27.663 29.793  4.2423 0.0000  0.0000  29.793  4.2423 ?       ?      364.845 27.663 0.000000       27.66270 
1 1 1 -13 7  27 o 323.299 26.854 23.449  3.6434 0.0000  0.0000  23.449  3.6434 ?       ?      323.299 26.854 0.000000       26.85424 
1 1 1 -13 7  28 o 248.150 26.727 13.877  2.7644 0.0000  0.0000  13.877  2.7644 ?       ?      248.150 26.727 0.000000       26.72661 
1 1 1 -13 8  1  o 519.444 18.803 57.423  4.1363 59.710  6.9456  56.166  5.1489 526.452 31.295 512.968 23.702 13.48346       39.25718 
1 1 1 -13 8  2  o 304.093 20.008 19.772  2.5623 21.092  4.3681  19.080  3.1637 311.468 33.650 297.821 25.325 13.64719       42.11507 
1 1 1 -13 8  3  o 420.730 18.918 37.661  3.3707 34.296  5.5627  39.613  4.2371 398.194 33.293 430.345 23.337 -32.15009      40.65733 
1 1 1 -13 8  4  o 904.029 23.670 174.320 9.0619 176.131 12.401  172.245 13.275 905.867 32.325 894.766 35.033 11.10114       47.66769 
1 1 1 -13 8  5  o 476.454 18.426 48.280  3.7178 45.492  6.0495  49.973  4.7129 459.574 31.269 484.142 22.986 -24.56744      38.80838 
1 1 1 -13 8  6  o 1236.39 26.018 326.545 13.623 0.0000  0.0000  326.545 13.623 ?       ?      1236.39 26.018 0.000000       26.01847 
1 1 1 -13 8  7  o 1162.96 24.292 288.616 11.964 271.888 16.287  308.219 17.631 1124.48 34.201 1196.95 34.783 -72.46228      48.78096 
1 1 1 -13 8  8  o 421.866 17.725 37.845  3.1666 32.964  5.0765  40.954  4.0515 390.865 30.921 438.373 21.824 -47.50784      37.84688 
1 1 1 -13 8  9  o 899.322 22.540 172.473 8.5843 167.995 11.480  178.152 12.929 884.930 30.633 910.115 33.544 -25.18427      45.42664 
1 1 1 -13 8  10 o 416.485 17.441 36.893  3.0761 38.796  4.9003  35.656  3.9518 424.859 27.381 408.147 22.956 16.71219       35.73126 
1 1 1 -13 8  11 o 186.578 33.752 7.7209  2.5687 7.7209  2.5687  0.0000  0.0000 186.578 33.752 ?       ?      0.000000       33.75156 
1 1 1 -13 8  12 o 343.817 17.328 25.218  2.5149 24.771  3.9343  25.528  3.2703 338.793 27.663 345.048 22.503 -6.255615      35.65998 
1 1 1 -13 8  13 o 707.349 17.319 106.518 5.1880 101.042 8.1102  110.311 6.7495 685.984 27.917 718.596 22.179 -32.61151      35.65530 
1 1 1 -13 8  14 o 838.228 23.040 150.328 8.1788 0.0000  0.0000  150.328 8.1788 ?       ?      838.228 23.040 0.000000       23.04000 
1 1 1 -13 8  15 o 262.190 22.857 14.827  2.5125 0.0000  0.0000  14.827  2.5125 ?       ?      262.190 22.857 0.000000       22.85653 
1 1 1 -13 8  16 o 285.248 20.210 17.479  2.4255 14.109  3.2512  21.709  3.6425 253.549 30.920 316.270 27.468 -62.72084      41.35852 
1 1 1 -13 8  17 o 625.695 15.906 83.436  4.2146 79.529  6.2656  86.666  5.6958 608.241 24.325 636.114 21.143 -27.87354      32.22927 
1 1 1 -13 8  18 o 419.158 15.167 37.441  2.6923 39.265  3.9084  35.794  3.7139 427.303 21.669 407.960 21.573 19.34286       30.57722 
1 1 1 -13 8  19 f 362.520 14.481 28.003  2.2232 26.989  3.2125  28.936  3.0798 353.925 21.536 366.967 19.892 -13.04208      29.31717 
1 1 1 -13 8  20 f 139.947 13.793 4.2128  0.8068 3.8371  1.5179  4.3607  0.9526 130.510 28.280 142.009 16.125 -11.49875      32.55429 
1 1 1 -13 8  21 o 343.993 17.578 25.411  2.5522 28.070  3.1901  20.683  4.2539 360.541 20.984 304.554 33.538 55.98752       39.56141 
1 1 1 -13 8  22 o 294.818 18.105 18.738  2.2496 20.713  2.8779  15.637  3.6068 308.682 22.163 263.713 33.019 44.96823       39.76767 
1 1 1 -13 8  23 o 121.724 24.076 3.3325  1.1971 2.4342  1.6434  4.3478  1.7473 104.618 33.105 137.590 30.759 -32.97121      45.18948 
1 1 1 -13 8  24 o 108.713 32.804 2.6856  1.6364 0.0000  0.0000  2.6856  1.6364 ?       ?      108.713 32.804 0.000000       32.80365 
1 1 1 -13 8  25 o 177.099 31.085 7.1955  2.2463 0.0000  0.0000  7.1955  2.2463 ?       ?      177.099 31.085 0.000000       31.08480 
1 1 1 -13 8  26 o 247.315 27.353 13.760  2.8168 0.0000  0.0000  13.760  2.8168 ?       ?      247.315 27.353 0.000000       27.35269 
1 1 1 -13 8  27 o 174.619 28.691 6.9986  2.0480 0.0000  0.0000  6.9986  2.0480 ?       ?      174.619 28.691 0.000000       28.69135 
1 1 1 -13 9  1  o 363.447 19.727 28.214  3.0249 27.490  5.0699  28.614  3.7693 355.709 34.073 365.172 24.516 -9.463593      41.97582 
1 1 1 -13 9  2  o 595.315 18.720 75.418  4.7196 68.996  7.8192  79.099  5.9194 565.593 32.786 608.906 22.955 -43.31250      40.02311 
1 1 1 -13 9  3  o 333.612 19.425 23.769  2.7325 23.372  4.4866  24.003  3.4452 328.251 32.711 334.426 24.497 -6.174561      40.86657 
1 1 1 -13 9  4  o 383.452 22.952 31.467  3.7100 27.028  4.9598  37.105  5.5900 353.058 33.576 414.527 32.093 -61.46909      46.44717 
1 1 1 -13 9  5  o 407.070 18.498 35.249  3.1888 31.701  5.1781  37.417  4.0474 382.959 32.228 418.272 22.937 -35.31342      39.55648 
1 1 1 -13 9  6  o 335.910 23.987 24.198  3.3898 0.0000  0.0000  24.198  3.3898 ?       ?      335.910 23.987 0.000000       23.98694 
1 1 1 -13 9  7  o 362.034 21.773 28.032  3.3227 29.251  4.4448  26.488  5.0023 368.524 28.707 349.297 34.258 19.22736       44.69535 
1 1 1 -13 9  8  o 595.026 17.846 75.305  4.4971 73.660  7.2211  76.347  5.7478 586.338 29.081 598.311 22.685 -11.97357      36.88217 
1 1 1 -13 9  9  o 463.860 17.650 45.767  3.4671 49.026  5.5215  43.646  4.4549 477.814 27.401 451.626 23.372 26.18744       36.01536 
1 1 1 -13 9  10 o 249.788 18.790 13.357  1.9731 10.396  3.0648  15.452  2.5786 217.092 34.489 268.112 22.931 -51.02007      41.41659 
1 1 1 -13 9  11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 9  12 o 465.785 17.155 46.173  3.3839 53.899  5.3040  40.870  4.3944 501.832 24.957 436.556 23.860 65.27594       34.52763 
1 1 1 -13 9  13 o 239.954 18.080 12.335  1.8238 13.968  2.8917  11.256  2.3501 253.661 27.351 227.964 24.741 25.69708       36.88092 
1 1 1 -13 9  14 o 453.490 16.712 43.794  3.2096 43.311  4.9335  44.148  4.2263 448.436 26.091 454.388 21.963 -5.952728      34.10431 
1 1 1 -13 9  15 o 395.078 21.920 33.502  3.6530 0.0000  0.0000  33.502  3.6530 ?       ?      395.078 21.920 0.000000       21.91979 
1 1 1 -13 9  16 o 366.005 16.720 28.557  2.5916 31.609  4.0017  26.353  3.4012 382.750 24.822 349.800 23.090 32.95062       33.90091 
1 1 1 -13 9  17 o 174.489 20.363 6.6028  1.4764 6.7229  1.8693  6.4036  2.4071 174.820 26.044 168.315 34.914 6.504364       43.55829 
1 1 1 -13 9  18 o 381.430 15.329 31.013  2.4761 34.634  3.5880  27.721  3.4214 401.328 21.186 358.522 22.651 42.80627       31.01455 
1 1 1 -13 9  19 o 301.150 13.208 19.307  1.6845 18.565  2.7371  19.759  2.1371 293.080 22.218 303.729 16.679 -10.64911      27.78152 
1 1 1 -13 9  20 o 356.635 12.061 27.065  1.8215 30.134  3.1776  25.562  2.2231 374.155 20.128 346.100 15.167 28.05481       25.20283 
1 1 1 -13 9  21 o 301.383 17.671 19.532  2.2455 21.219  2.8471  16.756  3.6525 313.012 21.611 274.222 32.057 38.79034       38.66112 
1 1 1 -13 9  22 o 220.746 18.692 10.553  1.7309 11.076  2.2163  9.7357  2.7716 224.724 23.643 207.308 32.650 17.41588       40.31117 
1 1 1 -13 9  23 o 269.032 18.639 15.666  2.1105 11.569  2.8042  21.018  3.2053 226.980 29.901 309.436 24.665 -82.45607      38.76094 
1 1 1 -13 9  24 o 377.364 19.844 30.878  3.1601 37.953  4.6339  24.727  4.3206 414.762 26.521 331.887 31.103 82.87497       40.87460 
1 1 1 -13 9  25 o 196.790 28.318 8.7531  2.2920 0.0000  0.0000  8.7531  2.2920 ?       ?      196.790 28.318 0.000000       28.31780 
1 1 1 -13 9  26 o 202.871 27.695 9.3264  2.3172 0.0000  0.0000  9.3264  2.3172 ?       ?      202.871 27.695 0.000000       27.69456 
1 1 1 -13 9  27 o 210.949 27.542 10.099  2.4017 0.0000  0.0000  10.099  2.4017 ?       ?      210.949 27.542 0.000000       27.54173 
1 1 1 -13 10 1  o 151.616 28.026 5.0786  1.7332 1.2403  2.7445  7.6249  2.2354 103.737 41.414 186.363 29.290 -82.62585      50.72484 
1 1 1 -13 10 2  o 171.456 24.681 6.4065  1.7404 7.3223  2.7406  5.7875  2.2531 180.972 37.008 160.997 34.107 19.97528       50.32756 
1 1 1 -13 10 3  o 419.566 18.585 37.461  3.3022 36.051  5.3587  38.324  4.1929 408.609 31.204 423.109 23.493 -14.49921      39.05870 
1 1 1 -13 10 4  o 287.671 23.602 17.777  2.8500 18.402  3.7848  16.959  4.3313 291.206 31.174 277.810 37.797 13.39618       48.99400 
1 1 1 -13 10 5  o 646.478 18.300 88.913  5.0100 90.440  8.1486  87.985  6.3525 649.537 29.624 642.147 23.360 7.390015       37.72571 
1 1 1 -13 10 6  o 284.237 24.869 17.384  2.9634 0.0000  0.0000  17.384  2.9634 ?       ?      284.237 24.869 0.000000       24.86926 
1 1 1 -13 10 7  o 329.329 23.796 23.269  3.2964 0.0000  0.0000  23.269  3.2964 ?       ?      329.329 23.796 0.000000       23.79588 
1 1 1 -13 10 8  o 571.984 21.389 69.741  5.1810 65.960  6.9263  74.544  7.8066 553.808 29.640 588.277 31.449 -34.46912      43.21551 
1 1 1 -13 10 9  o 228.212 20.002 11.178  1.9136 9.4491  3.1218  12.219  2.4219 206.132 37.127 237.938 24.380 -31.80624      44.41627 
1 1 1 -13 10 10 o 440.097 17.379 41.209  3.2391 40.712  5.1247  41.540  4.1799 434.917 27.973 440.594 22.477 -5.677185      35.88395 
1 1 1 -13 10 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 10 12 o 201.493 19.589 8.7363  1.6504 9.0807  2.6091  8.5066  2.1309 203.048 31.352 197.570 26.108 5.477737       40.79934 
1 1 1 -13 10 13 o 360.324 16.893 27.645  2.5778 27.190  3.9997  27.968  3.3713 354.895 26.810 361.047 22.156 -6.152618      34.78052 
1 1 1 -13 10 14 o 417.172 16.673 37.068  2.9455 37.913  4.5211  36.444  3.8826 419.498 25.571 412.110 22.330 7.388123       33.94878 
1 1 1 -13 10 15 o 412.899 16.368 36.322  2.8620 36.086  4.3383  36.504  3.8084 409.116 25.161 412.379 21.886 -3.263214      33.34787 
1 1 1 -13 10 16 o 385.372 21.793 31.918  3.5421 0.0000  0.0000  31.918  3.5421 ?       ?      385.372 21.793 0.000000       21.79294 
1 1 1 -13 10 17 o 271.467 15.763 15.761  1.8044 13.664  2.5581  17.838  2.5456 250.887 24.385 287.786 21.033 -36.89949      32.20255 
1 1 1 -13 10 18 f 539.872 22.115 62.599  5.0562 62.599  5.0562  0.0000  0.0000 539.872 22.115 ?       ?      0.000000       22.11510 
1 1 1 -13 10 19 o 409.628 14.746 35.774  2.5580 34.211  3.6702  37.251  3.5670 398.388 21.837 416.749 20.211 -18.36026      29.75490 
1 1 1 -13 10 20 o 569.379 12.435 69.020  2.9984 62.491  5.2321  72.213  3.6589 538.284 22.952 581.729 14.852 -43.44476      27.33812 
1 1 1 -13 10 21 o 239.950 18.276 12.425  1.8431 12.269  2.3333  12.685  3.0057 236.962 23.564 238.602 30.440 -1.639496      38.49469 
1 1 1 -13 10 22 o 194.688 19.305 8.2421  1.5707 8.5154  2.0217  7.8258  2.4947 196.278 24.880 185.168 33.025 11.10950       41.34787 
1 1 1 -13 10 23 o 244.034 19.491 12.933  1.9975 15.183  2.7823  10.540  2.8697 262.368 25.357 215.338 32.477 47.02968       41.20363 
1 1 1 -13 10 24 o 327.587 26.989 23.782  3.7108 0.0000  0.0000  23.782  3.7108 ?       ?      327.587 26.989 0.000000       26.98865 
1 1 1 -13 10 25 o 36.015  16.862 -0.6285 0.6436 -2.1289 2.3047  -0.5016 0.6703 67.175  31.596 38.499  17.742 28.67554       36.23614 
1 1 1 -13 10 26 o 309.537 26.254 21.428  3.4090 0.0000  0.0000  21.428  3.4090 ?       ?      309.537 26.254 0.000000       26.25363 
1 1 1 -13 10 27 o 124.047 31.015 3.6253  1.6250 0.0000  0.0000  3.6253  1.6250 ?       ?      124.047 31.015 0.000000       31.01514 
1 1 1 -13 11 1  o 408.853 19.094 35.606  3.3060 31.894  5.4145  37.812  4.1745 383.180 33.709 420.039 23.563 -36.85861      41.12844 
1 1 1 -13 11 2  o 361.734 19.172 27.944  2.9264 28.211  4.7325  27.778  3.7237 360.965 31.268 359.678 24.594 1.286469       39.78119 
1 1 1 -13 11 3  o 578.063 18.329 71.117  4.4869 72.248  7.3627  70.449  5.6592 579.399 30.110 574.451 23.262 4.948120       38.04954 
1 1 1 -13 11 4  o 672.861 18.349 96.346  5.2286 80.083  8.4468  106.449 6.6574 609.263 32.859 706.429 22.253 -97.16644      39.68521 
1 1 1 -13 11 5  o 994.276 19.342 210.484 8.1442 214.113 13.385  208.350 10.262 998.219 31.664 987.573 24.538 10.64612       40.05865 
1 1 1 -13 11 6  o 106.550 28.644 2.5158  1.3204 2.6220  1.9772  2.4303  1.7739 111.936 36.402 107.385 34.439 4.550514       50.11119 
1 1 1 -13 11 7  o 154.255 31.145 5.2894  1.9644 0.0000  0.0000  5.2894  1.9644 ?       ?      154.255 31.145 0.000000       31.14460 
1 1 1 -13 11 8  o 767.426 29.404 126.363 9.5561 126.363 9.5561  0.0000  0.0000 767.426 29.404 ?       ?      0.000000       29.40354 
1 1 1 -13 11 9  o 608.692 17.482 78.835  4.5064 77.760  7.1356  79.548  5.8121 602.256 27.977 610.472 22.482 -8.216309      35.89064 
1 1 1 -13 11 10 o 480.862 17.149 49.202  3.4922 44.181  5.4863  52.622  4.5278 452.792 28.761 496.594 21.530 -43.80206      35.92659 
1 1 1 -13 11 11 o 444.386 32.195 42.792  6.0178 0.0000  0.0000  42.792  6.0178 ?       ?      444.386 32.195 0.000000       32.19512 
1 1 1 -13 11 12 o 528.864 20.380 59.689  4.5644 65.349  6.0366  52.134  6.9746 552.069 25.820 489.836 33.830 62.23215       42.55700 
1 1 1 -13 11 13 o 387.572 16.809 31.990  2.7588 30.138  4.2714  33.315  3.6137 373.522 27.189 394.180 21.732 -20.65799      34.80718 
1 1 1 -13 11 14 o 433.690 16.578 40.068  3.0448 42.404  4.6945  38.371  4.0004 443.758 25.083 422.783 22.423 20.97437       33.64459 
1 1 1 -13 11 15 o 241.140 17.257 12.462  1.7506 11.960  2.6492  12.851  2.3325 234.106 27.230 243.813 22.857 -9.706650      35.55157 
1 1 1 -13 11 16 f 165.884 18.159 5.9446  1.2549 4.8803  1.8050  6.9402  1.7458 147.596 29.902 178.254 23.714 -30.65813      38.16423 
1 1 1 -13 11 17 o 266.387 22.234 15.334  2.4853 0.0000  0.0000  15.334  2.4853 ?       ?      266.387 22.234 0.000000       22.23359 
1 1 1 -13 11 18 f 208.600 19.052 9.3891  1.6645 7.3737  2.0616  13.162  2.8207 182.656 27.505 245.070 27.663 -62.41394      39.00980 
1 1 1 -13 11 19 o 425.755 17.833 38.780  3.2154 41.667  3.9855  33.399  5.4417 440.333 21.373 388.887 33.365 51.44601       39.62365 
1 1 1 -13 11 20 o 381.102 13.319 30.953  2.1496 29.283  3.4299  32.033  2.7586 367.976 22.113 386.951 16.834 -18.97464      27.79124 
1 1 1 -13 11 21 o 454.327 17.277 44.260  3.3242 44.762  4.2360  43.456  5.3633 455.141 21.977 444.526 28.643 10.61508       36.10220 
1 1 1 -13 11 22 o 487.925 17.331 51.146  3.5811 51.261  4.6660  50.982  5.5862 485.992 22.671 481.200 27.527 4.791901       35.66082 
1 1 1 -13 11 23 o 250.868 19.917 13.683  2.0986 18.390  3.0187  9.2808  2.9195 289.071 24.902 200.303 35.728 88.76755       43.54952 
1 1 1 -13 11 24 o 213.759 19.893 9.9732  1.7801 6.6223  2.5946  12.953  2.4469 167.363 37.533 242.238 24.175 -74.87434      44.64481 
1 1 1 -13 11 25 o 186.672 23.755 7.7613  1.8354 8.3146  3.2840  7.5100  2.2133 184.157 42.905 181.070 29.908 3.087357       52.30027 
1 1 1 -13 11 26 o 89.350  30.289 1.7223  1.3658 0.0000  0.0000  1.7223  1.3658 ?       ?      89.350  30.289 0.000000       30.28909 
1 1 1 -13 11 27 o 68.058  27.211 0.5944  1.1868 0.0000  0.0000  0.5944  1.1868 ?       ?      68.058  27.211 0.000000       27.21133 
1 1 1 -13 12 1  o 407.376 18.771 35.352  3.2383 38.756  5.2868  33.308  4.0969 423.660 29.654 393.815 24.690 29.84549       38.58674 
1 1 1 -13 12 2  o 566.168 18.433 68.254  4.4197 63.077  7.2222  71.354  5.5883 540.456 31.694 578.024 22.829 -37.56812      39.05960 
1 1 1 -13 12 3  o 425.295 18.535 38.510  3.3384 33.619  5.3602  41.610  4.2670 393.894 32.421 440.858 22.934 -46.96347      39.71290 
1 1 1 -13 12 4  f 452.708 18.267 43.623  3.5021 38.385  5.5869  47.014  4.4949 421.370 31.537 469.323 22.615 -47.95309      38.80795 
1 1 1 -13 12 5  o 339.827 22.374 24.747  3.2019 21.069  4.2794  29.425  4.8262 311.167 32.977 368.741 31.198 -57.57315      45.39656 
1 1 1 -13 12 6  f 298.784 18.792 19.081  2.3656 15.561  3.7862  21.334  3.0298 266.579 34.336 315.332 22.843 -48.75284      41.24054 
1 1 1 -13 12 7  f 371.866 23.257 29.644  3.6442 0.0000  0.0000  29.644  3.6442 ?       ?      371.866 23.257 0.000000       23.25732 
1 1 1 -13 12 8  o 494.152 32.235 52.787  6.7088 0.0000  0.0000  52.787  6.7088 ?       ?      494.152 32.235 0.000000       32.23502 
1 1 1 -13 12 9  f 596.768 20.974 75.966  5.3008 77.334  7.0291  74.161  8.0713 600.502 27.640 585.726 32.669 14.77655       42.79338 
1 1 1 -13 12 10 o 459.842 17.218 45.008  3.3530 43.908  5.2918  45.746  4.3340 451.487 27.812 462.816 22.112 -11.32953      35.53132 
1 1 1 -13 12 11 o 483.594 31.894 50.662  6.4952 0.0000  0.0000  50.662  6.4952 ?       ?      483.594 31.894 0.000000       31.89448 
1 1 1 -13 12 12 o 245.327 21.989 12.966  2.2603 13.525  3.0101  12.244  3.4225 249.047 29.088 235.122 35.476 13.92580       45.87675 
1 1 1 -13 12 13 o 403.883 16.624 34.744  2.8435 33.920  4.3925  35.339  3.7306 396.484 26.310 405.905 21.782 -9.420593      34.15632 
1 1 1 -13 12 14 o 223.481 18.038 10.722  1.6926 12.553  2.5961  9.3680  2.2324 240.307 25.920 207.187 26.017 33.11971       36.72486 
1 1 1 -13 12 15 o 285.076 16.742 17.386  2.0124 17.696  3.0273  17.142  2.6937 285.762 25.276 281.834 22.763 3.928009       34.01539 
1 1 1 -13 12 16 o 272.159 16.153 15.848  1.8534 11.744  2.6681  19.676  2.5766 231.572 27.759 302.522 20.228 -70.95004      34.34755 
1 1 1 -13 12 17 o 989.843 17.257 209.247 7.2339 201.641 10.920  215.196 9.6569 965.976 26.693 1000.65 22.788 -34.67572      35.09718 
1 1 1 -13 12 18 o 730.999 20.777 114.658 6.4318 0.0000  0.0000  114.658 6.4318 ?       ?      730.999 20.777 0.000000       20.77661 
1 1 1 -13 12 19 o 266.689 16.465 15.254  1.8505 0.0000  0.0000  15.254  1.8505 ?       ?      266.689 16.465 0.000000       16.46520 
1 1 1 -13 12 20 f 627.346 14.252 83.981  3.7864 93.697  6.0587  77.755  4.8503 659.306 21.699 601.831 19.030 57.47504       28.86201 
1 1 1 -13 12 21 o 294.087 15.558 18.560  1.9308 26.440  2.9974  12.972  2.5243 349.604 20.333 243.030 24.877 106.5742       32.12939 
1 1 1 -13 12 22 o 183.033 32.240 7.6480  2.4077 0.0000  0.0000  7.6480  2.4077 ?       ?      183.033 32.240 0.000000       32.23986 
1 1 1 -13 12 23 o 370.207 18.396 29.547  2.8840 28.766  3.9680  30.423  4.1991 361.190 26.118 371.048 26.906 -9.857971      37.49723 
1 1 1 -13 12 24 o 246.863 19.771 13.280  2.0496 11.533  2.8750  15.087  2.9228 225.356 30.941 260.205 26.913 -34.84901      41.00806 
1 1 1 -13 12 25 o 116.062 29.166 3.1297  1.4318 0.4568  2.6796  4.1979  1.6939 91.458  39.068 134.193 30.499 -42.73544      49.56315 
1 1 1 -13 12 26 f 181.417 28.983 7.5555  2.1518 0.0000  0.0000  7.5555  2.1518 ?       ?      181.417 28.983 0.000000       28.98309 
1 1 1 -13 12 27 o 212.043 27.622 10.222  2.4215 0.0000  0.0000  10.222  2.4215 ?       ?      212.043 27.622 0.000000       27.62183 
1 1 1 -13 13 1  o 298.344 23.487 19.149  2.9435 17.313  3.9501  21.442  4.4139 281.151 33.857 313.300 33.803 -32.14890      47.84262 
1 1 1 -13 13 2  o 810.040 18.805 139.793 6.4510 139.555 10.629  139.932 8.1167 805.062 31.177 808.993 23.692 -3.931152      39.15746 
1 1 1 -13 13 3  o 282.612 19.862 17.107  2.3620 17.482  3.8402  16.879  2.9957 283.025 32.638 279.664 25.577 3.361267       41.46580 
1 1 1 -13 13 4  o 568.216 17.979 68.733  4.3262 65.237  6.9587  70.936  5.5234 550.187 29.979 576.349 22.630 -26.16254      37.56103 
1 1 1 -13 13 5  o 389.756 22.400 32.536  3.6818 35.842  5.0344  28.736  5.3982 407.525 29.368 362.994 35.573 44.53094       46.12941 
1 1 1 -13 13 6  o 270.339 19.431 15.650  2.2098 13.508  3.5735  16.977  2.8119 247.785 35.032 280.849 23.868 -33.06406      42.38960 
1 1 1 -13 13 7  o 238.265 19.779 12.181  1.9777 10.107  3.1590  13.518  2.5363 213.371 36.258 250.305 24.230 -36.93370      43.60862 
1 1 1 -13 13 8  o 492.757 31.690 52.504  6.5780 0.0000  0.0000  52.504  6.5780 ?       ?      492.757 31.690 0.000000       31.69020 
1 1 1 -13 13 9  o 583.673 20.966 72.700  5.1824 80.248  6.8642  62.695  7.9031 611.809 26.493 537.279 34.924 74.53040       43.83548 
1 1 1 -13 13 10 o 342.667 21.108 25.162  3.0482 27.120  4.0172  22.504  4.6798 354.510 26.960 320.593 35.039 33.91724       44.21082 
1 1 1 -13 13 11 o 744.272 22.614 118.472 7.1279 0.0000  0.0000  118.472 7.1279 ?       ?      744.272 22.614 0.000000       22.61431 
1 1 1 -13 13 12 o 229.748 22.171 11.393  2.1303 11.222  2.8447  11.612  3.2145 226.104 30.486 229.070 34.182 -2.966202      45.80197 
1 1 1 -13 13 13 o 79.977  26.829 1.2954  1.0715 -1.2512 1.6525  3.1430  1.4076 60.423  27.850 118.447 28.423 -58.02381      39.79307 
1 1 1 -13 13 14 o 717.740 16.779 109.819 5.1001 99.342  7.8575  117.447 6.7043 678.881 27.331 740.698 21.373 -61.81738      34.69528 
1 1 1 -13 13 15 f 564.689 16.020 67.968  3.8310 61.305  5.7219  73.381  5.1576 533.670 25.318 585.422 20.803 -51.75201      32.76851 
1 1 1 -13 13 16 o 415.091 15.546 36.729  2.7327 35.038  3.9887  38.224  3.7515 403.059 23.470 422.301 20.977 -19.24246      31.47774 
1 1 1 -13 13 17 o 484.730 15.280 50.098  3.1367 47.540  4.5699  52.377  4.3132 470.157 22.952 494.239 20.607 -24.08188      30.84570 
1 1 1 -13 13 18 o 434.435 15.260 40.261  2.8075 41.935  4.1063  38.792  3.8472 441.630 21.955 424.378 21.477 17.25201       30.71307 
1 1 1 -13 13 19 o 209.809 19.727 9.5287  1.7322 0.0000  0.0000  9.5287  1.7322 ?       ?      209.809 19.727 0.000000       19.72660 
1 1 1 -13 13 20 o 265.151 21.533 15.259  2.3970 0.0000  0.0000  15.259  2.3970 ?       ?      265.151 21.533 0.000000       21.53303 
1 1 1 -13 13 21 o 346.823 12.322 25.650  1.8098 32.104  3.4519  23.203  2.1253 384.802 21.265 329.255 15.242 55.54611       26.16329 
1 1 1 -13 13 22 o 171.449 32.032 6.7326  2.2402 6.7326  2.2402  0.0000  0.0000 171.449 32.032 ?       ?      0.000000       32.03215 
1 1 1 -13 13 23 o 344.202 26.398 26.181  3.8186 26.181  3.8186  0.0000  0.0000 344.202 26.398 ?       ?      0.000000       26.39783 
1 1 1 -13 13 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 13 25 o 316.524 34.122 23.157  4.5016 23.157  4.5016  0.0000  0.0000 316.524 34.122 ?       ?      0.000000       34.12222 
1 1 1 -13 13 26 o 276.510 22.355 16.906  2.5954 14.941  4.5032  17.884  3.1759 244.881 45.084 281.804 26.940 -36.92282      52.52010 
1 1 1 -13 13 27 o 108.189 31.552 2.7407  1.5348 0.0000  0.0000  2.7407  1.5348 ?       ?      108.189 31.552 0.000000       31.55197 
1 1 1 -13 14 1  o 286.613 24.239 17.709  2.9145 16.004  3.9052  19.853  4.3789 269.705 35.017 300.834 35.027 -31.12900      49.52821 
1 1 1 -13 14 2  o 232.179 20.690 11.593  2.0131 11.033  3.1181  11.994  2.6360 223.526 34.012 234.948 26.983 -11.42242      43.41544 
1 1 1 -13 14 3  o 622.632 18.131 82.571  4.7809 80.747  7.7608  83.686  6.0692 612.638 29.913 625.734 22.903 -13.09528      37.67419 
1 1 1 -13 14 4  o 181.965 22.967 7.1851  1.7304 4.9012  2.7666  8.6528  2.2178 147.899 42.133 199.130 26.995 -51.23146      50.03971 
1 1 1 -13 14 5  o 595.534 21.601 75.711  5.4479 69.700  7.3298  83.129  8.1431 568.325 30.567 621.388 30.945 -53.06342      43.49594 
1 1 1 -13 14 6  o 136.762 28.262 4.1597  1.5827 5.5251  2.6152  3.3705  1.9882 156.426 39.477 123.478 35.883 32.94800       53.34803 
1 1 1 -13 14 7  o 134.444 25.966 4.0009  1.4249 2.7660  2.2263  4.8577  1.8545 115.747 38.673 147.596 30.671 -31.84846      49.35872 
1 1 1 -13 14 8  o 573.329 20.865 70.154  5.0661 72.349  6.7717  67.364  7.6348 580.534 27.544 557.817 32.459 22.71674       42.57081 
1 1 1 -13 14 9  o 214.649 25.882 10.016  2.3053 0.0000  0.0000  10.016  2.3053 ?       ?      214.649 25.882 0.000000       25.88204 
1 1 1 -13 14 10 o 634.668 20.677 86.010  5.5576 83.337  7.3614  89.552  8.4749 622.592 27.920 644.236 31.063 -21.64362      41.76662 
1 1 1 -13 14 11 o 305.344 23.044 20.069  2.9579 0.0000  0.0000  20.069  2.9579 ?       ?      305.344 23.044 0.000000       23.04397 
1 1 1 -13 14 12 o 389.749 16.785 32.365  2.7705 34.669  4.3426  30.783  3.5977 400.937 25.711 378.520 22.546 22.41763       34.19637 
1 1 1 -13 14 13 o 270.012 17.585 15.614  1.9998 12.974  3.0517  17.601  2.6475 243.178 30.290 285.864 22.040 -42.68625      37.45933 
1 1 1 -13 14 14 o 415.585 16.233 36.813  2.8570 34.771  4.3362  38.379  3.7978 401.144 25.659 422.820 21.278 -21.67563      33.33390 
1 1 1 -13 14 15 o 448.285 15.865 42.841  3.0118 37.932  4.4796  46.892  4.0687 418.897 25.371 467.931 20.532 -49.03427      32.63819 
1 1 1 -13 14 16 o 241.475 16.560 12.502  1.6833 9.9582  2.3874  15.016  2.3737 213.026 27.075 263.720 21.440 -50.69417      34.53588 
1 1 1 -13 14 17 o 611.518 13.733 79.643  3.5565 75.259  5.8920  82.155  4.4608 591.158 23.535 620.142 16.986 -28.98425      29.02442 
1 1 1 -13 14 18 o 475.183 13.186 48.088  2.6536 48.844  4.4562  47.673  3.3030 476.434 22.086 472.357 16.512 4.077362       27.57595 
1 1 1 -13 14 19 o 269.501 14.619 15.546  1.6623 14.572  2.6202  16.201  2.1504 258.476 24.219 274.245 18.626 -15.76822      30.55340 
1 1 1 -13 14 20 o 599.551 15.390 76.882  3.9077 75.931  5.8045  77.671  5.2847 592.107 23.148 600.151 20.793 -8.044128      31.11578 
1 1 1 -13 14 21 o 121.807 20.768 3.2913  1.0329 0.0000  0.0000  3.2913  1.0329 ?       ?      121.807 20.768 0.000000       20.76841 
1 1 1 -13 14 22 o 205.127 18.198 9.1324  1.5644 0.0000  0.0000  9.1324  1.5644 ?       ?      205.127 18.198 0.000000       18.19781 
1 1 1 -13 14 23 o 62.739  27.692 -0.3261 1.4404 0.0000  0.0000  -0.3261 1.4404 ?       ?      62.739  27.692 0.000000       27.69186 
1 1 1 -13 14 24 o 294.574 20.663 18.965  2.5614 19.048  3.8943  18.902  3.4005 288.859 32.393 290.370 28.001 -1.510437      42.81723 
1 1 1 -13 14 25 o 233.770 22.975 12.120  2.2451 9.0313  3.8838  13.670  2.7515 187.514 48.532 246.462 26.793 -58.94826      55.43699 
1 1 1 -13 14 26 o 391.063 37.307 36.113  6.1036 36.113  6.1036  0.0000  0.0000 391.063 37.307 ?       ?      0.000000       37.30746 
1 1 1 -13 15 1  o 568.841 22.017 69.181  5.3040 73.375  7.2404  64.325  7.7918 582.927 29.425 543.922 33.997 39.00562       44.96231 
1 1 1 -13 15 2  o 221.893 20.776 10.603  1.9296 7.6593  2.9770  12.735  2.5339 184.134 39.369 242.528 25.031 -58.39346      46.65293 
1 1 1 -13 15 3  o 589.286 18.154 73.992  4.5303 77.301  7.4362  72.038  5.7129 599.330 29.298 580.298 23.247 19.03113       37.40073 
1 1 1 -13 15 4  o 258.980 20.138 14.394  2.1913 13.885  3.7628  14.655  2.6956 250.539 36.540 260.460 24.735 -9.921249      44.12430 
1 1 1 -13 15 5  o 458.685 17.966 44.817  3.4900 43.814  5.6780  45.426  4.4244 450.195 29.953 460.979 22.663 -10.78378      37.56058 
1 1 1 -13 15 6  o 734.820 17.824 115.012 5.5466 103.992 8.8865  122.046 7.0992 694.907 30.197 755.733 22.182 -60.82635      37.46830 
1 1 1 -13 15 7  o 685.667 17.599 100.133 5.1102 91.784  8.1548  105.532 6.5574 653.028 29.488 702.746 22.034 -49.71838      36.81047 
1 1 1 -13 15 8  o 544.664 20.743 63.340  4.7846 65.422  6.3717  60.648  7.2452 551.887 27.262 528.857 32.507 23.02991       42.42568 
1 1 1 -13 15 9  o 149.005 30.530 4.9567  1.8618 0.0000  0.0000  4.9567  1.8618 ?       ?      149.005 30.530 0.000000       30.53042 
1 1 1 -13 15 10 o 537.804 21.951 61.862  4.9995 0.0000  0.0000  61.862  4.9995 ?       ?      537.804 21.951 0.000000       21.95132 
1 1 1 -13 15 11 o 104.970 38.007 2.0348  2.1736 0.0000  0.0000  2.0348  2.1736 ?       ?      104.970 38.007 0.000000       38.00707 
1 1 1 -13 15 12 o 369.415 16.934 29.089  2.6493 25.648  4.1232  31.508  3.4574 343.664 28.590 383.139 21.394 -39.47504      35.70829 
1 1 1 -13 15 13 o 467.249 19.673 46.671  3.8927 52.308  5.1359  39.061  5.9675 493.351 24.582 422.408 33.638 70.94376       41.66280 
1 1 1 -13 15 14 o 484.090 16.082 49.960  3.2969 50.902  5.0102  49.240  4.3785 486.520 24.317 479.292 21.571 7.227386       32.50622 
1 1 1 -13 15 15 o 795.487 16.578 135.028 5.5848 135.820 8.5306  134.433 7.3881 793.741 25.378 791.407 22.044 2.334167       33.61513 
1 1 1 -13 15 16 o 244.915 17.068 12.872  1.7593 11.003  2.7314  14.198  2.2998 223.249 29.622 256.339 21.380 -33.08904      36.53197 
1 1 1 -13 15 17 o 436.786 13.427 40.630  2.4836 36.351  4.0701  43.168  3.1349 410.081 23.535 449.574 16.466 -39.49341      28.72342 
1 1 1 -13 15 18 o 218.376 14.594 10.217  1.3419 10.885  2.3449  9.8919  1.6364 222.925 25.285 214.155 18.216 8.770264       31.16344 
1 1 1 -13 15 19 o 254.559 13.786 13.863  1.4806 17.910  2.6457  12.018  1.7866 287.348 21.907 236.076 18.006 51.27216       28.35699 
1 1 1 -13 15 20 o 225.009 14.857 10.873  1.4078 15.088  2.4235  8.7267  1.7295 263.234 21.939 200.072 20.712 63.16222       30.17133 
1 1 1 -13 15 21 o 416.999 15.508 37.269  2.7387 45.445  4.2070  31.257  3.6078 457.836 21.698 378.706 22.599 79.13007       31.32903 
1 1 1 -13 15 22 o 329.569 18.339 23.486  2.5494 23.056  3.4580  23.999  3.7735 323.452 25.450 329.065 27.325 -5.612732      37.34158 
1 1 1 -13 15 23 o 180.664 34.540 7.5959  2.5463 7.5959  2.5463  0.0000  0.0000 180.664 34.540 ?       ?      0.000000       34.54027 
1 1 1 -13 15 24 o 86.330  32.604 1.3372  1.6295 0.0000  0.0000  1.3372  1.6295 ?       ?      86.330  32.604 0.000000       32.60374 
1 1 1 -13 15 25 o 245.865 28.359 13.721  2.8987 0.0000  0.0000  13.721  2.8987 ?       ?      245.865 28.359 0.000000       28.35940 
1 1 1 -13 15 26 o 62.771  25.993 0.3182  1.1293 0.0000  0.0000  0.3182  1.1293 ?       ?      62.771  25.993 0.000000       25.99323 
1 1 1 -13 16 1  o 454.115 23.501 44.290  4.5042 0.0000  0.0000  44.290  4.5042 ?       ?      454.115 23.501 0.000000       23.50140 
1 1 1 -13 16 2  o 229.726 25.890 11.466  2.4748 10.025  3.3612  13.172  3.6572 211.232 39.012 243.607 36.580 -32.37424      53.47937 
1 1 1 -13 16 3  o 240.844 20.704 12.478  2.0912 15.803  3.4577  10.560  2.6258 268.945 30.921 219.673 28.930 49.27209       42.34441 
1 1 1 -13 16 4  o 220.655 20.908 10.490  1.9305 10.985  3.1276  10.185  2.4536 222.779 34.247 216.058 27.435 6.720947       43.88098 
1 1 1 -13 16 5  o 336.799 18.317 24.249  2.6027 20.534  4.1785  26.605  3.3269 306.543 32.692 352.015 22.434 -45.47168      39.64888 
1 1 1 -13 16 6  o 314.664 22.030 21.269  2.9172 20.458  3.9322  22.262  4.3505 306.518 30.705 319.315 32.630 -12.79700      44.80566 
1 1 1 -13 16 7  o 361.030 17.492 27.770  2.6745 24.737  4.2264  29.796  3.4540 337.512 29.878 372.676 21.982 -35.16431      37.09316 
1 1 1 -13 16 8  o 316.527 18.135 21.427  2.4208 22.856  3.8927  20.526  3.0913 324.616 28.609 308.652 23.835 15.96408       37.23634 
1 1 1 -13 16 9  o 249.013 19.007 13.306  1.9892 15.044  3.2330  12.248  2.5233 262.538 29.595 237.557 25.480 24.98111       39.05244 
1 1 1 -13 16 10 o 238.833 23.760 12.345  2.3712 0.0000  0.0000  12.345  2.3712 ?       ?      238.833 23.760 0.000000       23.75962 
1 1 1 -13 16 11 o 238.079 18.385 12.167  1.8393 7.6888  2.8421  15.394  2.4127 184.430 37.662 267.361 21.490 -82.93121      43.36168 
1 1 1 -13 16 12 o 613.597 20.121 80.514  5.2284 83.257  6.8802  76.765  8.0434 621.867 26.125 593.844 32.102 28.02264       41.38963 
1 1 1 -13 16 13 o 368.519 19.608 29.123  3.0492 27.462  3.9684  31.519  4.7642 355.957 26.516 380.355 29.816 -24.39859      39.90065 
1 1 1 -13 16 14 o 331.238 16.059 23.398  2.2527 20.911  3.4173  25.309  2.9957 310.266 26.254 343.096 20.715 -32.82990      33.44217 
1 1 1 -13 16 15 o 364.096 15.754 28.274  2.4292 28.417  3.6114  28.157  3.2828 362.643 23.645 361.590 21.536 1.053528       31.98231 
1 1 1 -13 16 16 o 228.059 16.390 11.161  1.5724 11.175  2.7720  11.154  1.9094 224.833 29.851 227.252 20.045 -2.418533      35.95675 
1 1 1 -13 16 17 o 323.649 13.667 22.319  1.8732 20.709  3.0948  23.249  2.3532 308.943 23.839 329.361 16.928 -20.41769      29.23795 
1 1 1 -13 16 18 o 243.303 13.625 12.659  1.3982 13.062  2.5115  12.478  1.6832 244.512 24.587 240.977 16.595 3.534042       29.66341 
1 1 1 -13 16 19 o 170.350 15.592 6.2575  1.1124 5.5693  2.0534  6.5434  1.3234 156.247 32.107 173.661 18.268 -17.41470      36.94036 
1 1 1 -13 16 20 o 342.105 13.679 25.004  1.9817 28.266  3.3430  23.236  2.4607 360.592 21.997 328.336 17.763 32.25592       28.27332 
1 1 1 -13 16 21 o 135.668 15.714 3.9984  0.8861 5.0456  2.0122  3.7465  0.9870 147.564 33.023 130.662 18.342 16.90141       37.77525 
1 1 1 -13 16 22 o 536.281 12.708 61.447  2.8862 62.918  5.4865  60.884  3.3937 536.439 24.151 532.866 15.039 3.573242       28.45045 
1 1 1 -13 16 23 o 213.708 16.730 9.8948  1.5021 14.206  2.9131  8.3334  1.7531 251.774 27.784 194.490 21.652 57.28415       35.22428 
1 1 1 -13 16 24 o 487.170 19.178 51.566  3.9566 52.150  5.7548  51.043  5.4487 482.053 28.314 478.099 27.021 3.954041       39.13869 
1 1 1 -13 16 25 o 245.421 22.630 13.358  2.3255 17.405  4.0656  11.390  2.8350 271.539 36.261 222.159 30.976 49.38000       47.69051 
1 1 1 -13 16 26 o 101.274 32.041 2.3571  1.5396 7.5675  3.7984  1.3328  1.6841 169.715 49.677 86.403  33.022 83.31204       59.65149 
1 1 1 -13 17 1  o 510.754 22.762 55.877  4.9235 0.0000  0.0000  55.877  4.9235 ?       ?      510.754 22.762 0.000000       22.76245 
1 1 1 -13 17 2  o 116.019 34.437 2.9694  1.8145 1.7824  2.4905  4.3121  2.6489 105.634 40.208 139.092 41.683 -33.45770      57.91509 
1 1 1 -13 17 3  o 175.118 23.430 6.6821  1.6941 2.9796  2.7513  8.9428  2.1499 122.465 42.929 202.546 25.638 -80.08102      50.00238 
1 1 1 -13 17 4  o 67.057  26.887 0.4705  1.1622 -0.4046 1.9123  0.9831  1.4635 73.380  32.163 80.618  30.790 -7.238426      44.52487 
1 1 1 -13 17 5  o 291.227 18.534 18.160  2.2739 17.267  3.6074  18.750  2.9291 281.184 30.798 294.920 23.651 -13.73621      38.83169 
1 1 1 -13 17 6  o 77.268  30.510 0.7357  1.4744 -0.3683 2.0419  1.9386  2.1314 76.327  33.350 103.285 37.599 -26.95749      50.25871 
1 1 1 -13 17 7  o 87.993  28.153 1.6333  1.1860 -1.4107 1.8610  3.7152  1.5391 64.064  29.537 128.837 28.918 -64.77338      41.33649 
1 1 1 -13 17 8  o 205.839 19.888 9.1314  1.7120 8.0224  2.7683  9.8183  2.1786 189.090 35.883 212.549 24.662 -23.45984      43.54089 
1 1 1 -13 17 9  o 152.186 23.439 5.0763  1.4621 8.3273  2.3311  2.9676  1.8774 194.410 29.217 116.210 35.151 78.19984       45.70836 
1 1 1 -13 17 10 o 158.752 27.078 5.5724  1.7552 7.4048  2.4034  3.4783  2.5693 182.245 32.324 127.283 41.501 54.96207       52.60384 
1 1 1 -13 17 11 o 97.708  32.043 1.9996  1.5308 0.0000  0.0000  1.9996  1.5308 ?       ?      97.708  32.043 0.000000       32.04312 
1 1 1 -13 17 12 o 288.573 21.153 17.929  2.5670 18.984  3.3999  16.531  3.9150 295.341 27.499 273.242 34.609 22.09952       44.20393 
1 1 1 -13 17 13 o 381.085 19.534 31.151  3.1419 30.172  4.0297  32.669  5.0176 373.297 25.646 386.631 30.903 -13.33380      40.15821 
1 1 1 -13 17 14 o 262.252 19.645 14.805  2.1660 14.679  2.7783  15.000  3.4586 259.664 25.598 260.547 32.019 -0.8824768     40.99351 
1 1 1 -13 17 15 o 189.177 17.761 7.7162  1.4063 7.2555  2.0479  8.1274  1.9344 181.101 27.573 192.762 24.232 -11.66061      36.70768 
1 1 1 -13 17 16 o 191.143 17.890 7.8828  1.4313 9.0068  2.5461  7.3636  1.7306 201.039 30.895 183.618 22.742 17.42094       38.36265 
1 1 1 -13 17 17 o 223.760 15.353 10.739  1.4461 12.506  2.4243  9.7627  1.8017 239.410 24.245 212.260 20.291 27.15038       31.61576 
1 1 1 -13 17 18 o 189.746 15.234 7.7411  1.2138 9.3806  2.2197  7.0417  1.4498 206.271 25.987 180.061 19.314 26.20949       32.37792 
1 1 1 -13 17 19 o 104.107 21.005 2.4204  0.8941 2.4334  1.8119  2.4163  1.0280 105.884 34.868 103.511 23.930 2.373184       42.28929 
1 1 1 -13 17 20 o 172.598 14.693 6.4211  1.0638 7.0675  2.1464  6.2106  1.2248 176.702 29.739 169.140 17.344 7.562012       34.42741 
1 1 1 -13 17 21 o 84.036  22.661 1.5888  0.8249 3.1421  1.8480  1.2023  0.9218 116.861 34.769 75.492  24.871 41.36958       42.74859 
1 1 1 -13 17 22 o 424.285 19.189 38.932  3.4480 44.263  4.4908  31.278  5.3814 449.391 23.681 370.322 34.719 79.06860       42.02640 
1 1 1 -13 17 23 o 157.731 15.972 5.4079  1.0522 6.3403  2.5537  5.2172  1.1548 162.754 37.778 154.360 18.004 8.394257       41.84855 
1 1 1 -13 17 24 o 116.957 22.443 3.0951  1.0712 5.4871  2.8946  2.7156  1.1530 148.524 43.336 108.613 25.504 39.91170       50.28347 
1 1 1 -13 17 25 o 315.455 26.823 22.407  3.5493 0.0000  0.0000  22.407  3.5493 ?       ?      315.455 26.823 0.000000       26.82266 
1 1 1 -13 17 26 o 117.658 31.866 3.2812  1.6270 8.5756  3.6619  1.9790  1.8161 182.175 47.114 96.894  34.786 85.28129       58.56401 
1 1 1 -13 18 1  o 408.289 23.181 35.856  3.9917 0.0000  0.0000  35.856  3.9917 ?       ?      408.289 23.181 0.000000       23.18140 
1 1 1 -13 18 2  o 210.931 27.384 9.7353  2.3884 0.0000  0.0000  9.7353  2.3884 ?       ?      210.931 27.384 0.000000       27.38430 
1 1 1 -13 18 3  o 448.483 21.799 43.050  4.1402 44.882  5.6912  40.992  6.0340 454.934 29.703 433.440 33.123 21.49377       44.49051 
1 1 1 -13 18 4  o 290.040 18.798 18.028  2.2966 22.515  3.6908  15.193  2.9337 322.296 27.297 264.506 26.548 57.79022       38.07830 
1 1 1 -13 18 5  o 496.225 17.632 52.505  3.7053 62.121  6.0651  46.779  4.6802 537.364 26.652 466.479 23.770 70.88498       35.71189 
1 1 1 -13 18 6  o 349.820 18.182 26.175  2.6843 31.194  4.3845  23.166  3.3949 379.658 27.455 327.627 24.649 52.03143       36.89612 
1 1 1 -13 18 7  o 325.897 21.888 22.835  3.0033 26.005  4.0707  19.049  4.4491 346.276 27.999 293.405 36.603 52.87085       46.08364 
1 1 1 -13 18 8  o 319.517 17.909 21.847  2.4135 21.234  3.8719  22.236  3.0866 312.153 29.645 321.320 22.832 -9.166656      37.41823 
1 1 1 -13 18 9  o 267.490 18.372 15.344  2.0686 10.973  3.2930  18.193  2.6586 221.523 36.364 290.679 21.755 -69.15665      42.37457 
1 1 1 -13 18 10 o 401.940 16.880 34.453  2.8733 33.411  4.5416  35.148  3.7101 392.622 27.488 404.472 21.740 -11.85013      35.04552 
1 1 1 -13 18 11 o 186.044 24.249 7.5606  1.8651 9.7070  2.4353  4.5155  2.9006 210.222 28.054 142.073 43.833 68.14931       52.04228 
1 1 1 -13 18 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 18 13 o 187.021 23.076 7.6275  1.7889 4.8482  2.3005  11.879  2.8452 145.709 37.164 232.218 29.605 -86.50829      47.51421 
1 1 1 -13 18 14 o 185.425 29.063 7.6306  2.2072 7.6306  2.2072  0.0000  0.0000 185.425 29.063 ?       ?      0.000000       29.06315 
1 1 1 -13 18 15 o 357.911 16.156 27.351  2.4488 24.380  3.5383  30.082  3.3926 335.074 25.118 373.567 21.536 -38.49316      33.08622 
1 1 1 -13 18 16 o 247.677 20.270 13.256  2.1075 12.816  2.8497  13.787  3.1311 241.176 28.448 249.646 30.232 -8.470444      41.51270 
1 1 1 -13 18 17 o 111.058 24.810 2.7730  1.1374 3.5042  1.7920  2.2796  1.4720 123.938 33.391 101.635 31.203 22.30274       45.70139 
1 1 1 -13 18 18 o 597.296 14.231 76.190  3.5997 68.131  5.7316  81.440  4.6257 560.361 24.153 616.083 17.729 -55.72217      29.96149 
1 1 1 -13 18 19 o 134.532 19.525 3.9786  1.0799 5.7518  1.9205  3.1587  1.3059 159.248 29.565 117.914 26.764 41.33400       39.88046 
1 1 1 -13 18 20 o 447.659 13.559 42.845  2.5705 42.762  4.3511  42.890  3.1858 442.534 23.299 446.729 16.840 -4.194336      28.74769 
1 1 1 -13 18 21 o 146.072 17.597 4.6587  1.0667 5.8408  2.1251  4.2606  1.2333 158.879 32.676 138.497 21.743 20.38161       39.24852 
1 1 1 -13 18 22 o 128.126 21.557 3.6630  1.1282 0.0000  0.0000  3.6630  1.1282 ?       ?      128.126 21.557 0.000000       21.55699 
1 1 1 -13 18 23 o 123.382 29.568 3.5446  1.5248 3.7260  2.5107  3.4386  1.9193 125.674 41.028 120.694 35.309 4.979385       54.12914 
1 1 1 -13 18 24 o 136.892 20.212 4.1716  1.1365 5.2713  3.0820  3.9986  1.2226 144.986 45.258 133.230 22.469 11.75616       50.52882 
1 1 1 -13 18 25 o 144.935 28.687 4.8811  1.6984 3.7685  3.3923  5.2533  1.9621 127.848 47.290 149.032 32.041 -21.18401      57.12211 
1 1 1 -13 19 1  o 403.055 18.577 34.694  3.1708 33.988  5.2291  35.104  3.9876 394.625 31.553 403.771 23.421 -9.146942      39.29562 
1 1 1 -13 19 2  o 446.813 23.016 42.929  4.3403 0.0000  0.0000  42.929  4.3403 ?       ?      446.813 23.016 0.000000       23.01566 
1 1 1 -13 19 3  o 319.748 22.299 22.011  3.0007 23.956  4.0060  19.525  4.5292 331.877 28.788 296.795 36.826 35.08243       46.74280 
1 1 1 -13 19 4  o 550.627 21.209 64.891  4.9457 60.933  6.6016  69.955  7.4666 530.156 29.521 567.406 31.193 -37.25000      42.94734 
1 1 1 -13 19 5  f 413.073 17.745 36.402  3.1042 40.993  5.0101  33.542  3.9548 435.311 27.316 394.657 23.773 40.65399       36.21207 
1 1 1 -13 19 6  f 215.184 19.766 9.9779  1.7811 9.1999  2.8968  10.451  2.2585 202.832 34.988 219.217 24.762 -16.38455      42.86402 
1 1 1 -13 19 7  f 226.524 24.286 11.142  2.2935 10.175  3.1175  12.283  3.3861 213.268 35.785 235.002 35.099 -21.73347      50.12487 
1 1 1 -13 19 8  f 515.158 20.604 56.790  4.4950 58.114  5.9947  55.089  6.7937 518.366 27.405 502.710 32.079 15.65567       42.19104 
1 1 1 -13 19 9  o 626.031 20.331 83.866  5.3901 80.742  7.2065  87.833  8.1205 611.464 27.830 636.690 30.117 -25.22595      41.00655 
1 1 1 -13 19 10 o 213.264 23.842 9.8914  2.1164 10.630  2.7610  8.8388  3.2955 219.415 30.542 196.681 40.899 22.73395       51.04448 
1 1 1 -13 19 11 o 356.987 20.123 27.370  3.0298 25.734  3.9824  29.619  4.6684 343.987 27.569 368.253 30.201 -24.26669      40.89184 
1 1 1 -13 19 12 o 272.454 27.139 16.199  3.0897 16.199  3.0897  0.0000  0.0000 272.454 27.139 ?       ?      0.000000       27.13897 
1 1 1 -13 19 13 f 165.584 36.728 6.2598  2.5080 0.0000  0.0000  6.2598  2.5080 ?       ?      165.584 36.728 0.000000       36.72757 
1 1 1 -13 19 14 o 741.825 29.701 119.781 9.3308 0.0000  0.0000  119.781 9.3308 ?       ?      741.825 29.701 0.000000       29.70117 
1 1 1 -13 19 15 o 168.281 30.202 6.3508  2.0732 7.1091  2.4678  4.5314  3.8223 177.091 34.143 145.151 50.615 31.94012       61.05461 
1 1 1 -13 19 16 o 224.512 29.238 11.171  2.7140 11.171  2.7140  0.0000  0.0000 224.512 29.238 ?       ?      0.000000       29.23831 
1 1 1 -13 19 17 f 522.342 14.548 58.267  3.2181 58.247  5.0163  58.280  4.1951 519.050 22.821 520.841 19.019 -1.790344      29.70752 
1 1 1 -13 19 18 o 355.966 14.531 27.089  2.1905 25.502  3.5057  28.106  2.8056 341.633 24.391 361.096 18.408 -19.46323      30.55788 
1 1 1 -13 19 19 o 121.055 20.517 3.2512  1.0143 4.2710  1.7928  2.7712  1.2300 136.052 31.704 110.306 26.633 25.74550       41.40593 
1 1 1 -13 19 20 o 264.408 14.459 15.015  1.6129 17.834  2.8217  13.647  1.9656 285.035 23.588 250.855 18.635 34.17975       30.06129 
1 1 1 -13 19 21 o 217.887 15.121 10.233  1.3867 10.104  2.6735  10.281  1.6219 210.847 30.854 217.678 17.748 -6.830688      35.59465 
1 1 1 -13 19 22 o 142.081 18.047 4.4294  1.0614 3.5162  2.1890  4.7101  1.2136 122.508 38.125 145.971 20.171 -23.46369      43.13208 
1 1 1 -13 19 23 f 176.411 17.699 6.8034  1.3044 8.2150  2.7326  6.3868  1.4845 185.887 36.013 169.751 21.105 16.13612       41.74161 
1 1 1 -13 19 24 o 191.468 24.274 8.2355  1.9241 10.522  3.1928  6.9317  2.4111 209.359 37.383 170.568 34.563 38.79089       50.91228 
1 1 1 -13 19 25 o 245.855 23.143 13.464  2.3813 20.357  4.0431  9.8033  2.9466 295.885 32.819 202.710 35.624 93.17526       48.43715 
1 1 1 -13 20 1  o 111.909 28.783 2.8105  1.3718 -0.9202 2.2637  4.9758  1.7245 75.923  34.035 149.408 28.291 -73.48454      44.25821 
1 1 1 -13 20 2  o 480.686 17.906 49.330  3.6450 50.188  5.8539  48.787  4.6581 480.891 28.878 476.742 23.072 4.149200       36.96311 
1 1 1 -13 20 3  o 416.528 33.172 37.987  5.8029 0.0000  0.0000  37.987  5.8029 ?       ?      416.528 33.172 0.000000       33.17231 
1 1 1 -13 20 4  o 610.751 28.912 80.665  7.4781 80.665  7.4781  0.0000  0.0000 610.751 28.912 ?       ?      0.000000       28.91216 
1 1 1 -13 20 5  o 424.089 21.406 38.622  3.8320 35.478  5.1649  42.472  5.7153 403.519 30.448 441.577 30.754 -38.05792      43.27737 
1 1 1 -13 20 6  o 184.802 25.278 7.4790  1.9264 8.3770  2.6020  6.3897  2.8658 193.764 32.885 166.980 40.859 26.78366       52.44939 
1 1 1 -13 20 7  o 223.866 24.851 10.908  2.3162 11.548  3.0800  10.075  3.5140 228.225 32.810 210.377 40.916 17.84764       52.44606 
1 1 1 -13 20 8  o 497.550 20.270 52.991  4.2711 49.526  5.6748  57.519  6.4869 477.838 28.168 514.306 29.913 -36.46829      41.08752 
1 1 1 -13 20 9  o 528.806 20.126 59.865  4.5070 56.962  6.0072  63.602  6.8171 512.603 27.776 540.760 29.884 -28.15674      40.79935 
1 1 1 -13 20 10 o 456.903 19.871 44.694  3.8448 42.325  5.0902  47.842  5.8670 441.676 27.348 468.683 29.713 -27.00705      40.38307 
1 1 1 -13 20 11 o 524.324 19.524 58.859  4.3351 61.031  5.8168  56.145  6.5019 531.722 25.832 507.304 30.404 24.41855       39.89623 
1 1 1 -13 20 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 20 13 o 510.091 18.549 55.695  4.0068 54.479  5.2228  57.434  6.2467 502.465 24.544 513.336 28.852 -10.87155      37.87948 
1 1 1 -13 20 14 o 401.965 22.012 34.866  3.7328 0.0000  0.0000  34.866  3.7328 ?       ?      401.965 22.012 0.000000       22.01155 
1 1 1 -13 20 15 o 247.982 24.662 13.427  2.5556 0.0000  0.0000  13.427  2.5556 ?       ?      247.982 24.662 0.000000       24.66224 
1 1 1 -13 20 16 o 149.811 30.278 5.0838  1.8549 2.6349  2.3509  9.1230  3.0192 113.167 39.682 199.516 37.098 -86.34924      54.32213 
1 1 1 -13 20 17 o 247.004 25.452 13.413  2.6243 13.413  2.6243  0.0000  0.0000 247.004 25.452 ?       ?      0.000000       25.45229 
1 1 1 -13 20 18 o 335.665 17.498 24.278  2.4788 25.156  3.3400  23.202  3.6985 339.418 23.379 324.182 27.191 15.23627       35.85941 
1 1 1 -13 20 19 o 309.277 14.335 20.477  1.8776 25.899  3.1808  17.577  2.3261 344.683 21.904 284.637 19.413 60.04669       29.26878 
1 1 1 -13 20 20 o 358.425 13.824 27.497  2.0983 32.180  3.6401  25.166  2.5678 383.779 22.495 341.252 17.830 42.52759       28.70486 
1 1 1 -13 20 21 o 98.720  22.234 2.2055  0.9072 0.2069  2.0102  2.7166  1.0166 79.292  33.854 109.686 22.637 -30.39446      40.72454 
1 1 1 -13 20 22 o 199.987 16.001 8.6701  1.3438 8.9300  2.6185  8.5772  1.5658 196.210 32.660 198.005 18.902 -1.795197      37.73608 
1 1 1 -13 20 23 o 259.035 15.455 14.518  1.6877 18.049  3.3347  13.303  1.9567 282.226 28.281 246.613 18.879 35.61331       34.00391 
1 1 1 -13 20 24 o 125.073 21.378 3.5213  1.0917 3.3176  2.9743  3.5530  1.1736 121.062 44.363 125.109 22.998 -4.046181      49.97013 
1 1 1 -13 20 25 o 116.631 33.139 3.2400  1.7138 0.0000  0.0000  3.2400  1.7138 ?       ?      116.631 33.139 0.000000       33.13887 
1 1 1 -13 21 1  o 232.317 26.539 11.791  2.5642 11.405  3.5424  12.216  3.7163 224.716 38.616 232.567 39.122 -7.851135      54.96991 
1 1 1 -13 21 2  f 286.699 22.997 17.763  2.7686 17.335  3.7617  18.269  4.0896 280.502 32.254 287.338 34.285 -6.836761      47.07249 
1 1 1 -13 21 3  o 433.813 32.096 41.161  5.8548 0.0000  0.0000  41.161  5.8548 ?       ?      433.813 32.096 0.000000       32.09648 
1 1 1 -13 21 4  o 472.864 31.767 48.833  6.3245 0.0000  0.0000  48.833  6.3245 ?       ?      472.864 31.767 0.000000       31.76694 
1 1 1 -13 21 5  o 296.473 31.317 19.298  3.8725 19.298  3.8725  0.0000  0.0000 296.473 31.317 ?       ?      0.000000       31.31711 
1 1 1 -13 21 6  o 178.368 27.351 7.0217  2.0001 6.1561  2.5943  8.2904  3.1406 164.207 38.051 190.463 40.199 -26.25586      55.35170 
1 1 1 -13 21 7  o 219.999 24.729 10.545  2.2640 9.3722  2.9676  12.178  3.5020 204.179 35.616 233.025 36.701 -28.84586      51.14154 
1 1 1 -13 21 8  o 245.805 23.413 13.102  2.4077 14.770  3.2212  10.991  3.6244 259.298 29.881 219.792 40.428 39.50674       50.27237 
1 1 1 -13 21 9  o 402.694 20.485 34.839  3.4819 32.910  4.6328  37.343  5.2785 388.802 28.332 413.470 30.358 -24.66840      41.52438 
1 1 1 -13 21 10 o 448.849 19.790 43.155  3.7618 43.106  5.0084  43.219  5.6980 445.773 26.652 444.753 30.436 1.019836       40.45576 
1 1 1 -13 21 11 f 326.435 19.846 22.917  2.7306 16.773  3.5701  31.578  4.2385 275.792 31.111 381.257 26.414 -105.4656      40.81169 
1 1 1 -13 21 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 21 13 o 268.156 19.518 15.499  2.2012 11.464  2.8743  21.222  3.4233 227.285 30.642 312.008 26.149 -84.72273      40.28312 
1 1 1 -13 21 14 o 205.339 19.165 9.1202  1.6473 7.7911  2.2706  10.597  2.3935 186.823 29.693 219.583 26.260 -32.75967      39.63891 
1 1 1 -13 21 15 o 88.345  32.640 1.3976  1.6151 0.0000  0.0000  1.3976  1.6151 ?       ?      88.345  32.640 0.000000       32.63997 
1 1 1 -13 21 16 o 209.505 24.376 9.6474  2.1223 0.0000  0.0000  9.6474  2.1223 ?       ?      209.505 24.376 0.000000       24.37589 
1 1 1 -13 21 17 f 431.260 18.839 40.048  3.4406 0.0000  0.0000  40.048  3.4406 ?       ?      431.260 18.839 0.000000       18.83854 
1 1 1 -13 21 18 o 210.797 27.618 9.9283  2.4062 9.9283  2.4062  0.0000  0.0000 210.797 27.618 ?       ?      0.000000       27.61827 
1 1 1 -13 21 19 o 510.837 16.366 56.079  3.5405 61.249  4.9932  50.851  5.0209 530.591 22.221 481.376 24.713 49.21426       33.23422 
1 1 1 -13 21 20 o 114.998 24.716 3.0036  1.1679 3.2998  2.0015  2.8507  1.4381 119.321 36.340 111.193 29.893 8.127571       47.05547 
1 1 1 -13 21 21 o 391.637 16.157 33.029  2.6797 34.977  4.1230  31.604  3.5259 398.009 24.581 379.815 22.015 18.19354       32.99883 
1 1 1 -13 21 22 o 268.036 14.999 15.510  1.6957 15.690  3.2341  15.442  1.9914 262.548 29.604 266.426 17.752 -3.878693      34.51863 
1 1 1 -13 21 23 o 203.877 16.615 9.0520  1.4221 11.688  2.9248  8.2359  1.6274 224.417 31.654 193.132 20.197 31.28481       37.54796 
1 1 1 -13 21 24 o 119.158 21.695 3.2106  1.0544 1.7290  3.0232  3.4158  1.1251 105.302 42.949 122.738 22.474 -17.43587      48.47330 
1 1 1 -13 22 1  o 292.259 23.747 18.499  2.9137 17.573  4.0569  19.485  4.1873 281.244 34.805 296.673 33.939 -15.42889      48.61304 
1 1 1 -13 22 2  o 463.607 21.792 46.132  4.2785 51.899  5.9158  39.807  6.1954 488.534 28.720 425.014 34.724 63.51956       45.06230 
1 1 1 -13 22 3  o 429.082 21.265 39.487  3.8641 33.755  5.3032  45.975  5.6420 392.312 32.204 459.582 29.139 -67.27039      43.43004 
1 1 1 -13 22 4  o 248.364 35.741 13.779  3.6509 0.0000  0.0000  13.779  3.6509 ?       ?      248.364 35.741 0.000000       35.74080 
1 1 1 -13 22 5  o 358.473 21.926 27.682  3.3125 25.359  4.4172  30.667  5.0074 340.137 31.006 373.917 31.928 -33.78000      44.50594 
1 1 1 -13 22 6  o 499.066 27.721 54.060  5.8357 54.060  5.8357  0.0000  0.0000 499.066 27.721 ?       ?      0.000000       27.72066 
1 1 1 -13 22 7  o 430.930 20.539 39.805  3.7483 41.779  4.9600  37.178  5.7232 438.841 26.818 411.277 33.141 27.56451       42.63226 
1 1 1 -13 22 8  o 287.204 21.592 17.804  2.6070 17.076  3.4172  18.816  4.0324 279.008 29.361 291.651 33.242 -12.64285      44.35241 
1 1 1 -13 22 9  o 185.505 25.506 7.5606  1.9507 7.0830  2.5005  8.3032  3.1181 176.916 34.615 190.239 39.974 -13.32318      52.87809 
1 1 1 -13 22 10 o 461.477 19.522 45.632  3.8153 45.432  5.0544  45.896  5.8168 457.616 26.190 458.188 30.146 -0.5720825     39.93356 
1 1 1 -13 22 11 o 481.491 19.149 49.674  3.9045 45.690  5.1541  55.039  5.9816 458.540 26.657 502.652 28.214 -44.11230      38.81511 
1 1 1 -13 22 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 22 13 o 387.100 16.384 32.035  2.6858 26.534  3.8595  37.200  3.7399 348.767 26.325 415.247 21.339 -66.48004      33.88766 
1 1 1 -13 22 14 o 434.537 16.510 40.402  3.0383 42.079  4.6340  39.137  4.0239 439.876 24.979 425.265 22.422 14.61133       33.56633 
1 1 1 -13 22 15 o 219.426 19.665 10.440  1.8079 11.677  2.8759  9.6315  2.3248 228.635 30.459 208.541 26.954 20.09373       40.67332 
1 1 1 -13 22 16 o 142.310 23.224 4.5007  1.3514 3.7396  2.3632  4.8705  1.6473 127.730 39.591 146.936 27.483 -19.20544      48.19458 
1 1 1 -13 22 17 o 504.376 18.896 54.853  4.0361 0.0000  0.0000  54.853  4.0361 ?       ?      504.376 18.896 0.000000       18.89575 
1 1 1 -13 22 18 o 240.237 31.961 13.090  3.1709 0.0000  0.0000  13.090  3.1709 ?       ?      240.237 31.961 0.000000       31.96092 
1 1 1 -13 22 19 o 444.130 17.722 42.527  3.3333 0.0000  0.0000  42.527  3.3333 ?       ?      444.130 17.722 0.000000       17.72238 
1 1 1 -13 22 20 o 306.704 14.585 20.183  1.8944 23.309  3.3592  18.724  2.2939 324.890 24.597 293.693 18.539 31.19702       30.80084 
1 1 1 -13 22 21 o 184.706 19.637 7.4948  1.5125 5.3988  2.6547  8.5022  1.8404 148.569 40.900 195.751 22.617 -47.18227      46.73644 
1 1 1 -13 22 22 o 104.664 24.364 2.5168  1.0597 -0.0000 2.2829  3.2081  1.1964 81.110  35.356 118.328 24.674 -37.21845      43.11479 
1 1 1 -13 22 23 o 145.485 27.697 4.8972  1.6441 0.0000  0.0000  4.8972  1.6441 ?       ?      145.485 27.697 0.000000       27.69663 
1 1 1 -13 22 24 o 152.053 22.093 5.1900  1.3810 1.2460  3.0940  6.1713  1.5433 101.694 42.640 165.849 22.558 -64.15494      48.23937 
1 1 1 -13 23 1  o 353.742 22.548 27.024  3.3602 29.369  4.6841  24.537  4.8230 365.951 30.503 332.548 34.760 33.40244       46.24593 
1 1 1 -13 23 2  o 771.495 22.107 127.922 7.2228 136.926 9.8875  117.620 10.576 793.677 29.417 732.351 34.101 61.32544       45.03629 
1 1 1 -13 23 3  o 130.513 33.372 3.8676  1.8517 5.6072  2.7754  2.4721  2.4859 155.945 41.351 113.043 40.686 42.90247       58.01081 
1 1 1 -13 23 4  o 361.260 21.589 28.119  3.2878 19.725  4.3153  39.733  5.0762 298.005 34.852 427.215 28.216 -129.2107      44.84211 
1 1 1 -13 23 5  o 114.175 42.965 2.2815  2.8240 0.0000  0.0000  2.2815  2.8240 ?       ?      114.175 42.965 0.000000       42.96538 
1 1 1 -13 23 6  o 314.995 29.389 21.733  3.8751 21.733  3.8751  0.0000  0.0000 314.995 29.389 ?       ?      0.000000       29.38858 
1 1 1 -13 23 7  o 217.963 33.728 10.628  3.0127 10.628  3.0127  0.0000  0.0000 217.963 33.728 ?       ?      0.000000       33.72818 
1 1 1 -13 23 8  o 258.678 22.192 14.489  2.4076 13.903  3.1427  15.320  3.7458 251.033 30.165 262.095 34.593 -11.06169      45.89781 
1 1 1 -13 23 9  o 286.208 21.404 17.695  2.5755 15.671  3.4310  20.307  3.8981 266.326 31.000 303.681 30.733 -37.35556      43.65278 
1 1 1 -13 23 10 o 110.776 30.951 2.7603  1.5080 4.1787  1.9854  0.8260  2.3185 135.276 34.538 92.024  37.581 43.25209       51.04100 
1 1 1 -13 23 11 o 621.448 19.240 82.825  5.0635 79.221  6.7063  87.604  7.7226 604.518 26.196 634.187 28.754 -29.66980      38.89748 
1 1 1 -13 23 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -13 23 13 o 420.583 16.278 37.842  2.8992 35.685  4.1790  39.843  4.0256 405.144 24.471 429.132 22.228 -23.98819      33.05922 
1 1 1 -13 23 14 o 318.549 17.274 21.818  2.3216 22.766  3.6219  21.157  3.0247 322.044 26.800 311.824 23.069 10.22046       35.36149 
1 1 1 -13 23 15 o 376.362 15.910 30.344  2.5358 33.173  4.0315  28.493  3.2619 389.705 24.553 362.438 21.346 27.26682       32.53496 
1 1 1 -13 23 16 o 326.728 15.638 22.884  2.1637 18.578  3.4403  25.702  2.7831 289.112 28.468 344.712 19.140 -55.59979      34.30433 
1 1 1 -13 23 17 o 78.019  26.657 1.2493  1.0580 0.1075  1.7203  1.9440  1.3418 73.235  31.294 93.976  29.932 -20.74077      43.30389 
1 1 1 -13 23 18 o 371.071 14.220 29.494  2.2346 27.728  3.6181  30.583  2.8413 355.216 24.196 376.636 17.813 -21.41940      30.04604 
1 1 1 -13 23 19 f 215.778 20.471 10.193  1.8482 8.1915  2.4739  12.721  2.7805 188.713 32.105 238.045 28.125 -49.33133      42.68162 
1 1 1 -13 23 20 o 347.546 17.659 26.174  2.5906 0.0000  0.0000  26.174  2.5906 ?       ?      347.546 17.659 0.000000       17.65942 
1 1 1 -13 23 21 o 281.915 17.609 17.282  2.0918 0.0000  0.0000  17.282  2.0918 ?       ?      281.915 17.609 0.000000       17.60879 
1 1 1 -13 23 22 o 183.436 19.025 7.4068  1.4564 0.0000  0.0000  7.4068  1.4564 ?       ?      183.436 19.025 0.000000       19.02507 
1 1 1 -13 23 23 o 120.158 23.726 3.3014  1.1645 0.0000  0.0000  3.3014  1.1645 ?       ?      120.158 23.726 0.000000       23.72601 
1 1 1 -13 24 1  o 278.983 23.990 16.921  2.8068 15.993  3.9283  17.889  4.0119 267.054 35.623 283.275 34.129 -16.22144      49.33362 
1 1 1 -13 24 2  o 736.377 21.995 116.669 6.8591 129.425 9.3961  102.116 10.036 771.258 28.768 679.951 34.971 91.30719       45.28279 
1 1 1 -13 24 3  o 102.741 36.856 2.0334  2.0383 4.1495  2.9118  -0.0000 2.8544 136.613 44.155 92.915  40.019 43.69863       59.59164 
1 1 1 -13 24 4  o 441.950 21.194 41.959  3.9667 36.634  5.4049  48.175  5.8400 408.351 31.497 469.567 29.518 -61.21594      43.16727 
1 1 1 -13 24 5  o 213.847 25.663 10.021  2.2777 10.568  3.0907  9.3699  3.3697 216.794 34.845 201.802 40.831 14.99179       53.67805 
1 1 1 -13 24 6  o 86.058  36.457 0.2431  2.2996 0.0000  0.0000  0.2431  2.2996 ?       ?      86.058  36.457 0.000000       36.45655 
1 1 1 -13 24 7  o 143.482 36.040 4.7166  2.1870 4.7166  2.1870  0.0000  0.0000 143.482 36.040 ?       ?      0.000000       36.03956 
1 1 1 -13 24 8  o 322.720 27.479 22.763  3.7198 22.763  3.7198  0.0000  0.0000 322.720 27.479 ?       ?      0.000000       27.47947 
1 1 1 -13 24 9  o 335.804 20.415 24.307  2.8894 23.797  3.8587  24.957  4.3593 329.747 27.894 336.509 30.936 -6.761780      41.65491 
1 1 1 -13 24 10 o 126.900 28.881 3.6445  1.5172 3.8572  1.9771  3.3398  2.3663 129.898 35.105 123.097 39.807 6.800629       53.07492 
1 1 1 -13 24 11 o 659.843 19.201 93.471  5.3654 85.353  7.0866  104.375 8.2130 626.545 26.708 691.940 28.028 -65.39496      38.71529 
1 1 1 -13 24 12 o 190.002 30.816 8.1102  2.3947 0.0000  0.0000  8.1102  2.3947 ?       ?      190.002 30.816 0.000000       30.81623 
1 1 1 -13 24 13 o 343.688 16.509 25.304  2.4029 20.236  3.4442  30.109  3.3539 303.314 27.099 372.893 21.327 -69.57907      34.48458 
1 1 1 -13 24 14 o 234.069 21.606 11.946  2.1175 12.478  3.0098  11.425  2.9797 235.855 30.875 224.999 32.189 10.85602       44.60245 
1 1 1 -13 24 15 o 176.816 21.202 6.8595  1.5559 7.6390  2.6468  6.4479  1.9233 181.520 35.703 169.278 27.795 12.24222       45.24658 
1 1 1 -13 24 16 o 192.047 19.149 8.0388  1.5366 9.5117  2.4538  7.0884  1.9710 205.572 28.990 177.696 27.045 27.87625       39.64656 
1 1 1 -13 24 17 o 256.198 16.132 14.158  1.7413 17.186  2.7732  12.187  2.2373 279.569 23.645 235.468 22.718 44.10110       32.79059 
1 1 1 -13 24 18 o 328.600 14.783 23.164  2.0571 23.249  3.3593  23.112  2.6021 324.677 24.615 326.387 18.907 -1.710205      31.03793 
1 1 1 -13 24 19 o 89.657  31.285 1.6690  1.4604 1.9923  2.0099  1.3074  2.1256 99.787  36.483 92.536  36.602 7.251030       51.67922 
1 1 1 -13 24 20 o 333.941 18.872 24.294  2.6579 19.990  3.5622  29.698  3.9922 297.417 28.636 364.877 26.006 -67.46024      38.68261 
1 1 1 -13 24 21 o 134.975 35.113 4.3888  2.0262 0.0000  0.0000  4.3888  2.0262 ?       ?      134.975 35.113 0.000000       35.11277 
1 1 1 -13 24 22 o 82.714  23.692 1.5576  0.8724 0.4968  2.2724  1.7410  0.9448 84.984  36.132 87.176  24.548 -2.191818      43.68185 
1 1 1 -13 24 23 o 441.806 14.573 42.095  2.7267 34.716  5.0705  45.097  3.2342 387.954 31.124 455.963 16.749 -68.00934      35.34441 
1 1 1 -13 25 1  o 201.317 27.703 8.9807  2.2993 8.3578  3.5819  9.4174  2.9987 187.960 45.490 203.283 36.157 -15.32277      58.10903 
1 1 1 -13 25 2  o 291.888 24.200 18.545  2.9644 22.231  4.2747  15.129  4.1143 316.563 32.341 257.878 38.882 58.68472       50.57417 
1 1 1 -13 25 3  o 175.392 30.274 6.8984  2.1674 9.2631  3.1020  4.6430  3.0295 201.252 37.784 142.818 44.918 58.43394       58.69650 
1 1 1 -13 25 4  o 292.961 23.076 18.622  2.8397 18.326  3.9384  18.943  4.0983 287.063 32.997 291.570 33.819 -4.506836      47.24942 
1 1 1 -13 25 5  o 554.583 20.663 66.103  4.8530 64.331  6.5311  68.288  7.2515 542.799 28.512 557.882 30.813 -15.08258      41.98051 
1 1 1 -13 25 6  o 321.639 21.290 22.349  2.8835 19.901  3.8392  25.516  4.3675 300.233 30.624 340.299 30.634 -40.06555      43.31580 
1 1 1 -13 25 7  o 407.807 31.193 36.631  5.3462 0.0000  0.0000  36.631  5.3462 ?       ?      407.807 31.193 0.000000       31.19253 
1 1 1 -13 25 8  o 293.857 28.499 18.987  3.5020 18.987  3.5020  0.0000  0.0000 293.857 28.499 ?       ?      0.000000       28.49910 
1 1 1 -13 25 9  o 230.872 29.498 11.825  2.8181 11.825  2.8181  0.0000  0.0000 230.872 29.498 ?       ?      0.000000       29.49758 
1 1 1 -13 25 10 o 211.525 22.072 9.7531  1.9481 8.4997  2.5152  11.632  3.0798 194.365 31.646 227.560 32.914 -33.19504      45.66003 
1 1 1 -13 25 11 o 199.792 23.466 8.7540  1.9477 9.8517  2.5118  7.0988  3.0844 210.322 28.969 173.554 42.342 36.76820       51.30311 
1 1 1 -13 25 12 o 278.062 31.890 17.295  3.6874 0.0000  0.0000  17.295  3.6874 ?       ?      278.062 31.890 0.000000       31.89006 
1 1 1 -13 25 13 f 210.227 20.965 9.6413  1.8416 6.3691  2.9234  11.794  2.3714 163.700 41.971 231.538 24.559 -67.83862      48.62816 
1 1 1 -13 25 14 o 348.103 16.613 26.019  2.4490 26.599  3.8392  25.621  3.1801 347.477 26.284 342.992 22.009 4.485168       34.28247 
1 1 1 -13 25 15 o 121.890 26.085 3.3767  1.3058 5.3304  2.1788  2.2816  1.6312 151.042 34.781 101.733 33.063 49.30827       47.98841 
1 1 1 -13 25 16 o 387.498 15.326 32.221  2.5151 29.415  4.0669  33.958  3.2004 364.621 26.520 396.377 19.066 -31.75650      32.66191 
1 1 1 -13 25 17 o 227.105 17.678 11.188  1.6868 11.430  2.6597  11.025  2.1818 225.413 28.498 223.464 23.402 1.948410       36.87516 
1 1 1 -13 25 18 f 264.690 15.417 15.108  1.7207 13.657  2.8046  15.985  2.1790 246.887 27.281 270.991 19.109 -24.10379      33.30764 
1 1 1 -13 25 19 o 178.820 17.843 6.9863  1.3332 7.5992  2.2750  6.6657  1.6453 181.496 30.693 172.875 23.047 8.621140       38.38306 
1 1 1 -13 25 20 o 290.356 14.992 18.210  1.8372 18.172  3.1823  18.230  2.2500 284.064 26.769 289.044 18.478 -4.980164      32.52745 
1 1 1 -13 25 21 o 306.655 19.536 20.625  2.5238 20.844  3.6494  20.424  3.4941 302.262 28.861 299.935 27.825 2.325989       40.08958 
1 1 1 -13 25 22 o 135.286 29.275 4.2995  1.6286 6.8483  2.6248  2.7043  2.0766 166.944 37.982 108.585 37.338 58.35860       53.26183 
1 1 1 -13 26 1  o 353.095 22.207 27.047  3.3038 30.346  4.6302  23.625  4.7154 370.663 29.747 324.239 34.890 46.42386       45.85003 
1 1 1 -13 26 2  o 179.093 31.447 7.2461  2.2981 7.1060  3.4337  7.3599  3.0930 172.761 46.082 176.975 41.915 -4.213440      62.29317 
1 1 1 -13 26 3  o 649.633 21.335 90.977  5.8694 87.030  8.0009  95.576  8.6368 629.949 29.991 659.435 30.927 -29.48633      43.08040 
1 1 1 -13 26 4  o 354.374 21.934 27.188  3.2756 29.428  4.5178  24.706  4.7560 365.605 29.428 332.526 34.264 33.07901       45.16710 
1 1 1 -13 26 5  o 379.825 21.442 31.186  3.4350 28.997  4.6286  33.869  5.1248 362.466 30.435 391.532 31.165 -29.06641      43.56134 
1 1 1 -13 26 6  o 283.013 21.479 17.358  2.5551 16.752  3.4593  18.085  3.7904 274.966 30.205 285.083 31.945 -10.11688      43.96400 
1 1 1 -13 26 7  o 242.444 22.968 12.811  2.3301 13.470  3.2443  12.109  3.3487 245.520 31.960 231.273 35.310 14.24713       47.62610 
1 1 1 -13 26 8  o 405.567 30.636 36.329  5.2231 0.0000  0.0000  36.329  5.2231 ?       ?      405.567 30.636 0.000000       30.63641 
1 1 1 -13 26 9  o 428.969 19.423 39.579  3.5285 35.973  4.7206  44.144  5.3115 404.876 27.698 448.450 28.110 -43.57327      39.46313 
1 1 1 -13 26 10 o 550.498 25.598 66.006  5.9677 66.006  5.9677  0.0000  0.0000 550.498 25.598 ?       ?      0.000000       25.59826 
1 1 1 -13 26 11 o 230.485 19.316 11.517  1.8680 11.239  2.6156  11.807  2.6688 224.795 28.089 230.558 27.901 -5.763336      39.59050 
1 1 1 -13 26 12 o 270.915 31.319 16.467  3.5270 0.0000  0.0000  16.467  3.5270 ?       ?      270.915 31.319 0.000000       31.31918 
1 1 1 -13 26 13 o 83.601  31.139 1.2464  1.4759 0.5291  2.3436  1.7178  1.8999 88.299  37.071 95.717  35.394 -7.417618      51.25423 
1 1 1 -13 26 14 o 270.906 17.500 15.864  1.9970 14.990  3.1585  16.446  2.5775 258.594 29.362 274.095 22.401 -15.50058      36.93158 
1 1 1 -13 26 15 o 241.192 18.163 12.618  1.8416 14.444  3.0723  11.593  2.3008 253.665 29.128 229.081 24.076 24.58336       37.79037 
1 1 1 -13 26 16 o 277.627 17.389 16.677  2.0341 18.478  3.3590  15.634  2.5561 287.612 27.930 266.704 22.852 20.90771       36.08707 
1 1 1 -13 26 17 o 186.161 19.271 7.5847  1.4973 8.5899  2.4704  7.0011  1.8824 193.541 31.201 176.473 25.964 17.06792       40.59077 
1 1 1 -13 26 18 o 175.242 18.731 6.7300  1.3686 5.5980  2.2650  7.3810  1.7176 153.324 35.571 182.213 22.755 -28.88860      42.22603 
1 1 1 -13 26 19 o 97.683  26.232 2.2002  1.1081 2.8762  2.0645  1.9266  1.3133 111.790 37.238 92.625  29.624 19.16499       47.58441 
1 1 1 -13 26 20 o 155.028 19.819 5.3309  1.2714 8.8291  2.4345  4.0191  1.4909 195.023 30.474 131.507 27.648 63.51581       41.14687 
1 1 1 -13 26 21 o 61.723  24.035 0.5696  0.9043 2.6211  2.2401  0.1702  0.9884 108.299 38.659 57.174  24.043 51.12593       45.52610 
1 1 1 -13 26 22 o 152.315 28.271 5.3956  1.7565 7.5231  2.8529  4.0968  2.2290 173.978 39.609 129.046 38.136 44.93280       54.98448 
1 1 1 -13 27 1  o 260.482 25.104 14.907  2.7350 14.021  3.8282  15.829  3.9088 247.083 37.786 263.725 35.934 -16.64215      52.14458 
1 1 1 -13 27 2  o 229.707 25.733 11.635  2.4602 11.081  3.4977  12.177  3.4611 218.630 39.219 230.609 36.668 -11.97919      53.69006 
1 1 1 -13 27 3  o 363.004 33.236 29.469  5.0526 0.0000  0.0000  29.469  5.0526 ?       ?      363.004 33.236 0.000000       33.23576 
1 1 1 -13 27 4  o 167.164 27.503 6.2552  1.8792 6.2172  2.5137  6.3033  2.8296 163.559 37.138 163.608 40.939 -0.4870605E-01 55.27407 
1 1 1 -13 27 5  o 166.390 27.770 6.2032  1.8878 5.8137  2.4577  6.7638  2.9484 158.072 37.313 169.393 41.441 -11.32147      55.76426 
1 1 1 -13 27 6  o 99.799  32.749 2.1449  1.5989 4.4527  2.3037  -0.0000 2.2209 138.414 38.098 81.885  35.284 56.52905       51.92755 
1 1 1 -13 27 7  o 101.486 31.573 2.2795  1.5014 1.5291  1.9034  3.5150  2.4425 93.667  35.269 125.100 40.441 -31.43313      53.65967 
1 1 1 -13 27 8  o 216.818 22.826 10.292  2.0645 7.0881  2.6985  14.812  3.2057 174.536 37.617 257.824 29.916 -83.28813      48.06289 
1 1 1 -13 27 9  o 219.110 34.931 10.960  3.1325 0.0000  0.0000  10.960  3.1325 ?       ?      219.110 34.931 0.000000       34.93139 
1 1 1 -13 27 10 o 385.918 19.058 32.092  3.1147 34.455  4.1442  29.025  4.7220 396.801 24.786 360.631 31.227 36.16907       39.86767 
1 1 1 -13 27 11 o 193.896 26.855 8.3892  2.1459 6.4191  2.4108  15.904  4.7086 166.162 35.347 258.678 44.592 -92.51625      56.90248 
1 1 1 -13 27 12 o 195.638 53.265 9.6586  4.5318 0.0000  0.0000  9.6586  4.5318 ?       ?      195.638 53.265 0.000000       53.26512 
1 1 1 -13 27 13 o 154.709 29.399 5.4649  1.8558 6.3049  2.8329  4.8334  2.4561 162.046 41.192 142.601 39.375 19.44463       56.98398 
1 1 1 -13 27 14 o 418.690 15.406 37.629  2.7317 34.906  4.3751  39.369  3.4971 397.474 26.137 426.588 19.358 -29.11450      32.52510 
1 1 1 -13 27 15 o 210.146 19.359 9.6369  1.7035 8.7177  2.8587  10.143  2.1212 192.865 36.334 214.063 23.802 -21.19736      43.43580 
1 1 1 -13 27 16 o 255.175 16.971 14.098  1.8235 13.916  2.9601  14.209  2.3149 248.598 28.641 254.430 21.691 -5.831818      35.92756 
1 1 1 -13 27 17 o 345.403 19.010 25.959  2.7700 0.0000  0.0000  25.959  2.7700 ?       ?      345.403 19.010 0.000000       19.00998 
1 1 1 -13 27 18 o 281.082 15.879 17.099  1.8824 12.297  3.0745  19.979  2.3808 230.306 32.420 302.679 18.665 -72.37332      37.40894 
1 1 1 -13 27 19 o 164.908 19.608 6.0150  1.3425 5.4892  2.3873  6.2582  1.6236 149.766 37.675 166.700 23.662 -16.93355      44.48918 
1 1 1 -13 27 20 o 225.341 16.484 11.061  1.5621 9.3120  2.8535  11.809  1.8667 197.049 35.500 231.751 19.193 -34.70193      40.35632 
1 1 1 -13 27 21 o 77.323  24.578 1.3259  0.9050 1.6301  2.2218  1.2654  0.9910 95.760  37.566 76.735  25.801 19.02565       45.57309 
1 1 1 -13 28 1  o 310.137 23.389 21.022  3.0493 22.281  4.2265  19.655  4.4036 315.115 32.120 293.604 36.182 21.51068       48.38204 
1 1 1 -13 28 2  o 116.212 35.273 3.0750  1.8880 7.1939  2.7562  -0.5660 2.5915 175.219 38.220 83.279  36.931 91.93911       53.14776 
1 1 1 -13 28 3  o 243.929 23.857 13.058  2.4329 8.4820  3.2593  18.816  3.6560 189.150 41.802 290.416 30.167 -101.2663      51.55014 
1 1 1 -13 28 4  o 187.154 27.085 7.8177  2.0843 9.9380  2.7572  4.9903  3.1840 209.469 32.105 145.703 46.076 63.76683       56.15822 
1 1 1 -13 28 5  o 209.023 23.936 9.6180  2.0806 10.301  2.8131  8.7926  3.0913 213.331 32.135 193.931 38.992 19.39981       50.52752 
1 1 1 -13 28 6  o 223.974 23.450 11.012  2.1913 9.2031  2.9112  13.377  3.3285 199.923 35.695 243.091 33.200 -43.16719      48.74798 
1 1 1 -13 28 7  o 267.795 21.972 15.640  2.4699 14.771  3.2801  16.778  3.7535 256.661 30.792 272.556 33.205 -15.89456      45.28525 
1 1 1 -13 28 8  o 43.135  20.635 -1.4312 1.0676 -2.1792 1.4208  -0.4611 1.6180 47.896  23.139 65.610  29.134 -17.71483      37.20508 
1 1 1 -13 28 9  o 290.255 19.899 18.282  2.4312 19.252  3.2645  17.074  3.6432 295.242 26.387 275.344 31.830 19.89813       41.34546 
1 1 1 -13 28 10 o 236.736 27.262 12.477  2.6832 0.0000  0.0000  12.477  2.6832 ?       ?      236.736 27.262 0.000000       27.26162 
1 1 1 -13 28 11 o 131.847 36.643 4.0799  2.1197 0.0000  0.0000  4.0799  2.1197 ?       ?      131.847 36.643 0.000000       36.64346 
1 1 1 -13 28 12 o 249.760 25.348 13.816  2.6439 0.0000  0.0000  13.816  2.6439 ?       ?      249.760 25.348 0.000000       25.34800 
1 1 1 -13 28 13 o 420.909 20.102 38.404  3.5831 38.917  4.5717  37.589  5.7695 419.851 25.837 406.778 33.798 13.07336       42.54234 
1 1 1 -13 28 14 o 202.451 36.961 9.6225  3.0521 9.6225  3.0521  0.0000  0.0000 202.451 36.961 ?       ?      0.000000       36.96099 
1 1 1 -13 28 15 o 209.692 19.176 9.6032  1.6840 9.0832  2.7829  9.9037  2.1153 197.442 34.540 211.168 24.085 -13.72551      42.10843 
1 1 1 -13 28 16 o 182.806 19.960 7.3479  1.5201 3.6441  2.5720  9.3363  1.8845 124.837 41.563 205.545 21.991 -80.70768      47.02201 
1 1 1 -13 28 17 o 115.701 26.469 3.0917  1.2688 0.2489  2.4844  4.0948  1.4758 86.468  37.289 133.326 27.062 -46.85858      46.07397 
1 1 1 -13 28 18 o 219.915 16.927 10.538  1.5644 9.2263  2.6317  11.254  1.9454 198.454 32.435 225.834 20.566 -27.38049      38.40536 
1 1 1 -13 28 19 o 168.846 19.212 6.3019  1.3493 7.4000  2.4244  5.8091  1.6241 176.212 33.717 159.842 24.796 16.37088       41.85278 
1 1 1 -13 28 20 o 234.719 16.387 12.001  1.6186 11.988  2.9659  12.007  1.9317 226.242 31.836 233.325 19.734 -7.082336      37.45650 
1 1 1 -13 28 21 o 154.012 19.494 5.2697  1.2430 9.4283  2.9226  4.3514  1.3734 197.313 36.314 137.910 24.408 59.40289       43.75443 
1 1 1 -13 29 1  o 266.069 34.775 16.139  3.8246 16.139  3.8246  0.0000  0.0000 266.069 34.775 ?       ?      0.000000       34.77510 
1 1 1 -13 29 2  o 321.363 22.629 22.547  3.0600 20.887  4.2514  24.331  4.4078 303.827 33.604 329.073 32.036 -25.24600      46.42768 
1 1 1 -13 29 3  o 280.258 22.418 17.163  2.6385 14.823  3.5165  20.177  3.9912 255.609 33.274 299.457 31.966 -43.84758      46.14072 
1 1 1 -13 29 4  o 260.246 22.100 14.801  2.4127 11.570  3.2043  19.032  3.6662 224.664 34.805 291.690 30.112 -67.02618      46.02296 
1 1 1 -13 29 5  o 98.272  32.706 2.0830  1.5927 0.6254  2.1045  4.0368  2.4366 85.503  35.452 131.562 40.102 -46.05863      53.52565 
1 1 1 -13 29 6  f 268.930 21.670 15.786  2.4471 13.083  3.2450  19.349  3.7260 240.049 32.777 293.905 30.374 -53.85583      44.68706 
1 1 1 -13 29 7  f 288.546 21.268 18.145  2.5806 16.691  3.4253  20.054  3.9244 272.806 30.152 298.551 31.515 -25.74518      43.61637 
1 1 1 -13 29 8  o 56.242  25.084 -0.4200 1.2130 -1.7786 1.5349  1.8396  1.9795 53.157  25.235 98.083  36.154 -44.92631      44.08971 
1 1 1 -13 29 9  o 113.892 28.969 2.9813  1.4005 5.3576  1.9275  0.3238  2.0383 152.660 30.875 81.183  34.354 71.47694       46.18904 
1 1 1 -13 29 10 o 233.832 19.305 11.898  1.8946 13.999  2.7100  9.8886  2.6499 251.230 25.840 208.628 30.929 42.60205       40.30261 
1 1 1 -13 29 11 o 263.632 27.101 15.484  2.9826 0.0000  0.0000  15.484  2.9826 ?       ?      263.632 27.101 0.000000       27.10085 
1 1 1 -13 29 12 o 202.488 29.651 9.2979  2.4673 0.0000  0.0000  9.2979  2.4673 ?       ?      202.488 29.651 0.000000       29.65130 
1 1 1 -13 29 13 o 196.789 44.864 9.5110  3.6558 0.0000  0.0000  9.5110  3.6558 ?       ?      196.789 44.864 0.000000       44.86379 
1 1 1 -13 29 14 o 220.921 25.064 10.877  2.3034 12.889  2.9636  7.8052  3.6609 238.273 30.037 176.017 47.854 62.25604       56.49971 
1 1 1 -13 29 15 o 178.908 36.845 7.6285  2.6986 7.6285  2.6986  0.0000  0.0000 178.908 36.845 ?       ?      0.000000       36.84481 
1 1 1 -13 29 16 o 112.918 33.541 2.9965  1.7208 1.8092  2.3141  4.4653  2.5737 99.747  38.557 135.149 41.219 -35.40145      56.44202 
1 1 1 -13 29 17 f 229.311 20.749 11.610  1.9931 14.196  2.8561  9.1547  2.7828 250.130 27.411 196.324 34.742 53.80647       44.25336 
1 1 1 -13 29 18 o 261.560 20.083 15.074  2.2076 11.353  2.9595  19.741  3.3147 219.750 32.806 295.239 26.803 -75.48891      42.36308 
1 1 1 -13 29 19 o 156.829 20.013 5.4733  1.2989 4.9996  2.4430  5.6599  1.5336 141.489 39.345 158.074 23.634 -16.58546      45.89800 
1 1 1 -13 29 20 o 181.512 18.736 7.2705  1.4195 6.2201  2.7074  7.6687  1.6670 157.058 40.457 185.246 21.658 -28.18843      45.88965 
1 1 1 -13 30 1  f 154.336 33.532 5.5357  2.1290 10.841  3.1141  0.8799  2.9172 216.823 35.115 99.248  41.493 117.5747       54.35793 
1 1 1 -13 30 2  o 88.433  35.847 0.9329  2.0905 0.9329  2.0905  0.0000  0.0000 88.433  35.847 ?       ?      0.000000       35.84674 
1 1 1 -13 30 3  o 216.100 24.320 10.322  2.1870 7.9282  2.9221  13.370  3.2976 183.196 38.868 242.380 32.982 -59.18474      50.97586 
1 1 1 -13 30 4  o 323.715 21.782 22.860  2.9687 27.641  4.1381  17.789  4.2614 352.885 27.918 277.648 37.176 75.23724       46.49138 
1 1 1 -13 30 5  o 284.480 21.508 17.665  2.5721 16.402  3.4302  19.287  3.8874 270.019 30.534 292.267 31.927 -22.24841      44.17745 
1 1 1 -13 30 6  o 156.689 27.149 5.5471  1.7362 5.8523  2.3627  5.1889  2.5599 157.804 36.133 147.502 39.981 10.30249       53.88927 
1 1 1 -13 30 7  o 174.670 25.988 6.8337  1.8638 5.3658  2.5319  8.5700  2.7536 150.013 39.361 192.149 35.134 -42.13618      52.76131 
1 1 1 -13 30 8  o 165.863 33.494 6.3861  2.2716 6.3861  2.2716  0.0000  0.0000 165.863 33.494 ?       ?      0.000000       33.49364 
1 1 1 -13 30 9  o 203.442 20.273 9.0565  1.7234 7.3853  2.3704  10.930  2.5100 179.009 32.464 220.930 27.417 -41.92123      42.49217 
1 1 1 -13 30 10 o 214.278 19.071 10.007  1.7125 10.931  2.4124  9.0689  2.4314 221.326 26.249 199.956 29.607 21.36995       39.56794 
1 1 1 -13 30 11 o 117.269 28.383 3.1708  1.3944 3.6249  2.0428  2.7747  1.9081 124.254 36.448 110.662 35.741 13.59187       51.04778 
1 1 1 -13 30 12 f 129.797 30.699 3.9201  1.6610 1.7486  2.6475  5.3295  2.1330 103.500 40.878 150.458 34.245 -46.95846      53.32683 
1 1 1 -13 30 13 o 155.750 47.137 6.0623  3.3753 0.0000  0.0000  6.0623  3.3753 ?       ?      155.750 47.137 0.000000       47.13700 
1 1 1 -13 30 14 o 82.957  28.720 1.4334  1.2296 0.0000  0.0000  1.4334  1.2296 ?       ?      82.957  28.720 0.000000       28.71983 
1 1 1 -13 30 15 o 243.738 22.968 13.191  2.3428 0.0000  0.0000  13.191  2.3428 ?       ?      243.738 22.968 0.000000       22.96799 
1 1 1 -13 30 16 o 89.176  34.666 1.3696  1.8787 0.0000  0.0000  1.3696  1.8787 ?       ?      89.176  34.666 0.000000       34.66590 
1 1 1 -13 30 17 o 240.109 21.449 12.788  2.1581 9.8547  3.0467  15.741  3.0572 201.759 37.023 262.647 27.914 -60.88824      46.36642 
1 1 1 -13 30 18 o 200.369 21.529 8.9476  1.7982 7.8805  2.5632  9.9819  2.5234 181.017 34.699 207.443 29.560 -26.42606      45.58282 
1 1 1 -13 30 19 o 140.157 27.876 4.5877  1.5963 5.2038  2.4639  4.1419  2.0957 144.079 39.295 129.762 36.568 14.31715       53.67775 
1 1 1 -13 31 1  o 198.045 40.674 9.3840  3.2971 0.0000  0.0000  9.3840  3.2971 ?       ?      198.045 40.674 0.000000       40.67353 
1 1 1 -13 31 2  o 169.450 37.916 6.8120  2.6529 6.8120  2.6529  0.0000  0.0000 169.450 37.916 ?       ?      0.000000       37.91578 
1 1 1 -13 31 3  o 247.541 32.690 13.972  3.3431 13.972  3.3431  0.0000  0.0000 247.541 32.690 ?       ?      0.000000       32.69009 
1 1 1 -13 31 4  o 133.248 30.138 4.1001  1.6608 1.5315  2.2633  7.0970  2.4447 97.235  37.979 174.662 34.275 -77.42713      51.15892 
1 1 1 -13 31 5  o 90.723  31.808 1.6873  1.5105 3.8026  1.9771  -1.2783 2.3410 127.334 35.390 73.358  33.565 53.97542       48.77606 
1 1 1 -13 31 6  o 116.044 31.051 3.1185  1.5559 3.0257  2.0470  3.2456  2.3944 115.237 36.998 119.803 40.106 -4.565552      54.56534 
1 1 1 -13 31 7  o 86.041  30.386 1.4922  1.3804 0.7505  1.7687  2.6478  2.2078 81.079  32.935 110.601 38.473 -29.52149      50.64480 
1 1 1 -13 31 8  o 195.886 21.098 8.4330  1.7226 8.5105  2.4294  8.3547  2.4428 193.018 30.753 190.972 31.288 2.045532       43.87121 
1 1 1 -13 31 9  o 190.398 21.257 7.9809  1.6847 8.1024  2.4338  7.8692  2.3345 187.687 31.752 185.320 30.828 2.366989       44.25596 
1 1 1 -13 31 10 o 246.382 18.845 13.218  1.9514 11.881  2.7921  14.495  2.7283 229.013 29.473 255.213 25.588 -26.19986      39.03048 
1 1 1 -13 31 11 o 194.605 23.905 8.4326  1.9287 10.855  2.9269  6.5736  2.5641 216.819 32.910 165.840 37.402 50.97905       49.81917 
1 1 1 -13 31 12 o 304.946 18.072 20.205  2.3235 22.891  3.5742  18.239  3.0578 320.035 26.613 286.086 25.506 33.94864       36.86218 
1 1 1 -13 31 13 o 127.396 34.428 3.8678  1.9016 6.3712  2.3709  -0.6468 3.1839 163.470 35.282 89.918  40.333 73.55208       53.58659 
1 1 1 -13 31 14 o 76.354  29.887 0.9006  1.4038 -0.6965 2.2933  1.8576  1.7753 75.694  34.068 94.873  34.349 -19.17902      48.37847 
1 1 1 -13 31 15 o 145.351 31.914 5.0126  1.9106 0.0000  0.0000  5.0126  1.9106 ?       ?      145.351 31.914 0.000000       31.91358 
1 1 1 -13 31 16 o 121.307 30.176 3.4890  1.5438 0.0000  0.0000  3.4890  1.5438 ?       ?      121.307 30.176 0.000000       30.17555 
1 1 1 -13 31 17 o 100.167 36.247 2.1682  1.9766 0.0000  0.0000  2.1682  1.9766 ?       ?      100.167 36.247 0.000000       36.24725 
1 1 1 -13 31 18 o 456.108 18.408 45.454  3.5557 0.0000  0.0000  45.454  3.5557 ?       ?      456.108 18.408 0.000000       18.40842 
1 1 1 -13 32 1  o 343.791 21.820 25.918  3.1604 24.094  4.2561  28.161  4.7187 325.633 31.247 351.633 32.039 -26.00009      44.75331 
1 1 1 -13 32 2  o 203.444 38.229 9.8305  3.1728 0.0000  0.0000  9.8305  3.1728 ?       ?      203.444 38.229 0.000000       38.22910 
1 1 1 -13 32 3  o 125.676 39.551 3.7141  2.3484 3.7141  2.3484  0.0000  0.0000 125.676 39.551 ?       ?      0.000000       39.55149 
1 1 1 -13 32 4  o 189.186 35.042 8.3719  2.7041 8.3719  2.7041  0.0000  0.0000 189.186 35.042 ?       ?      0.000000       35.04242 
1 1 1 -13 32 5  o 73.594  30.070 0.5548  1.4853 0.8466  2.0914  0.2579  2.1097 87.008  35.631 81.344  34.705 5.663475       49.73909 
1 1 1 -13 32 6  o 204.695 23.869 9.3049  2.0303 7.0511  2.6202  12.692  3.2119 172.333 37.007 234.847 33.222 -62.51353      49.73138 
1 1 1 -13 32 7  o 179.656 22.763 7.1638  1.6930 8.2331  2.3143  5.9326  2.4832 189.921 29.750 157.425 37.738 32.49651       48.05469 
1 1 1 -13 32 8  o 101.677 30.361 2.3656  1.4072 2.8419  1.8204  1.6582  2.2184 111.113 34.798 97.639  37.749 13.47396       51.34122 
1 1 1 -13 32 9  o 219.673 20.020 10.576  1.8420 10.899  2.6631  10.280  2.5506 218.883 29.479 212.680 29.080 6.202087       41.40863 
1 1 1 -13 32 10 o 156.323 22.586 5.4581  1.4519 3.6890  1.9311  7.7585  2.2020 124.659 35.092 184.083 29.223 -59.42430      45.66659 
1 1 1 -13 32 11 o 277.002 19.240 16.765  2.2430 16.929  3.4549  16.646  2.9491 272.207 30.495 272.685 25.846 -0.4779053     39.97448 
1 1 1 -13 32 12 o 208.892 21.238 9.6507  1.8526 8.2859  2.9472  10.542  2.3821 184.571 38.930 215.912 26.616 -31.34073      47.15865 
1 1 1 -13 32 13 o 232.512 25.618 12.182  2.4807 12.565  3.1867  11.593  3.9519 231.482 33.480 214.184 44.999 17.29739       56.08765 
1 1 1 -13 32 14 o 251.040 18.617 13.812  1.9652 16.288  3.1220  12.187  2.5291 267.292 27.996 231.918 26.210 35.37393       38.35049 
1 1 1 -13 32 15 o 177.880 21.305 7.0593  1.5730 5.0633  2.5988  8.2132  1.9761 141.816 40.972 190.249 25.142 -48.43298      48.07095 
1 1 1 -13 32 16 o 164.484 22.224 6.0834  1.5084 8.8089  2.7232  4.8770  1.8118 191.311 34.898 143.298 30.774 48.01300       46.52847 
1 1 1 -13 32 17 o 171.149 20.974 6.5442  1.4884 6.5627  2.7159  6.5363  1.7793 161.397 39.950 168.934 25.680 -7.536850      47.49168 
1 1 1 -13 33 1  o 186.439 25.792 7.8417  1.9819 6.1343  2.5850  10.277  3.0870 158.798 38.775 208.221 36.329 -49.42271      53.13484 
1 1 1 -13 33 2  f 290.805 22.538 18.664  2.7539 18.958  3.7400  18.314  4.0702 287.936 31.169 280.298 35.055 7.637787       46.90814 
1 1 1 -13 33 3  o 69.205  31.332 -0.8208 1.9731 0.0000  0.0000  -0.8208 1.9731 ?       ?      69.205  31.332 0.000000       31.33154 
1 1 1 -13 33 4  o 138.568 31.030 4.4924  1.7756 6.1895  2.3892  2.3987  2.6537 161.049 35.943 109.910 41.584 51.13879       54.96444 
1 1 1 -13 33 5  o 82.707  33.545 0.8455  1.8318 0.8455  1.8318  0.0000  0.0000 82.707  33.545 ?       ?      0.000000       33.54535 
1 1 1 -13 33 6  o 103.382 31.205 2.4608  1.4807 2.1688  2.0700  2.7667  2.1188 102.258 37.080 110.846 37.724 -8.588203      52.89635 
1 1 1 -13 33 7  o 79.870  30.166 1.1285  1.3950 0.5609  1.9354  1.7422  2.0125 81.102  33.843 96.034  36.242 -14.93247      49.58640 
1 1 1 -13 33 8  o 121.263 28.195 3.4156  1.4205 2.1411  1.9950  4.7263  2.0231 101.090 36.441 140.839 34.250 -39.74902      50.00986 
1 1 1 -13 33 9  o 133.597 26.776 4.1070  1.4622 4.1896  1.8008  3.9472  2.5049 133.034 32.290 128.010 40.910 5.024673       52.11760 
1 1 1 -13 33 10 o 110.349 31.982 2.8615  1.5813 0.9738  2.4347  4.2387  2.0796 92.096  38.154 132.481 36.088 -40.38500      52.51714 
1 1 1 -13 33 11 f 282.506 18.936 17.466  2.2524 18.864  3.5192  16.496  2.9315 287.355 29.330 270.756 25.881 16.59894       39.11668 
1 1 1 -13 33 12 o 187.612 22.029 7.8528  1.7169 6.3196  2.6203  9.0063  2.2728 159.850 39.044 198.249 27.839 -38.39923      47.95226 
1 1 1 -13 33 13 o 112.203 35.712 2.9898  1.9103 4.7201  2.4003  0.0005  3.1549 137.783 39.243 92.684  40.942 45.09971       56.71210 
1 1 1 -13 33 14 o 103.960 30.814 2.5462  1.4535 5.4267  2.4360  0.9536  1.8113 147.611 38.549 82.723  33.425 64.88762       51.02247 
1 1 1 -13 33 15 o 257.764 18.539 14.592  2.0103 16.313  3.3387  13.613  2.5178 265.060 30.287 245.666 24.529 19.39432       38.97431 
1 1 1 -13 33 16 f 180.001 20.169 7.2059  1.5110 7.0262  2.5961  7.2980  1.8582 168.654 37.335 178.832 25.237 -10.17784      45.06463 
1 1 1 -13 34 1  f 104.535 32.893 2.5251  1.6244 2.2317  2.1486  2.9165  2.4817 103.217 37.724 114.160 40.698 -10.94291      55.49229 
1 1 1 -13 34 2  o 114.621 31.429 3.0979  1.5712 3.0854  2.1272  3.1129  2.3308 114.905 37.777 116.001 39.566 -1.095688      54.70457 
1 1 1 -13 34 3  o 271.214 22.989 16.322  2.6156 16.799  3.4722  15.696  3.9771 270.372 30.879 256.488 37.743 13.88434       48.76517 
1 1 1 -13 34 4  o 96.315  37.616 1.6136  2.2200 0.0000  0.0000  1.6136  2.2200 ?       ?      96.315  37.616 0.000000       37.61606 
1 1 1 -13 34 5  o 134.299 39.976 4.4148  2.4425 0.0000  0.0000  4.4148  2.4425 ?       ?      134.299 39.976 0.000000       39.97583 
1 1 1 -13 34 6  o 116.044 35.113 3.1929  1.8731 2.9490  2.0195  4.6936  5.0097 112.518 36.800 142.660 56.267 -30.14245      67.23229 
1 1 1 -13 34 7  o 195.693 29.222 8.8108  2.3476 7.8627  2.6055  12.901  5.4116 181.551 35.158 215.107 58.057 -33.55534      67.87257 
1 1 1 -13 34 8  o 99.949  28.530 2.3199  1.2672 1.6182  1.7655  3.0656  1.8200 91.234  34.042 113.762 34.654 -22.52716      48.57760 
1 1 1 -13 34 9  o 166.173 24.203 6.2408  1.6532 5.5984  2.0413  7.4655  2.8184 153.602 32.400 174.158 39.164 -20.55603      50.82885 
1 1 1 -13 34 10 o 236.277 23.894 12.509  2.3580 10.545  3.2859  14.594  3.3859 207.849 38.756 249.653 32.821 -41.80344      50.78575 
1 1 1 -13 34 11 o 68.611  28.702 0.3553  1.3970 -0.3183 2.2836  0.7582  1.7660 77.974  34.619 79.878  32.730 -1.904228      47.64181 
1 1 1 -13 34 12 f 225.486 20.744 11.271  1.9587 12.864  3.0278  10.125  2.5685 234.754 31.231 208.721 29.913 26.03255       43.24552 
1 1 1 -13 34 13 o 220.644 27.191 11.150  2.4870 9.2015  3.1330  14.470  4.0895 192.212 39.799 240.667 41.631 -48.45561      57.59426 
1 1 1 -13 34 14 o 233.562 18.708 12.006  1.8349 12.302  3.0648  11.841  2.2908 228.076 32.663 229.224 23.953 -1.147690      40.50429 
1 1 1 -13 34 15 o 212.985 18.979 10.011  1.6939 8.1434  2.8240  11.061  2.1171 181.355 37.986 222.000 22.845 -40.64500      44.32677 
1 1 1 -13 35 1  f 136.994 32.277 4.4650  1.8418 4.5197  2.4224  4.3901  2.8356 135.455 39.679 133.357 43.605 2.097946       58.95578 
1 1 1 -13 35 2  o 354.517 21.530 27.727  3.2171 25.569  4.3089  30.444  4.8360 333.458 30.863 363.217 31.759 -29.75888      44.28448 
1 1 1 -13 35 3  o 207.278 24.520 9.6646  2.1107 6.6875  2.8432  13.320  3.1504 163.601 41.092 239.301 31.880 -75.69920      52.00845 
1 1 1 -13 35 4  o 162.260 36.762 6.4033  2.4676 6.4033  2.4676  0.0000  0.0000 162.260 36.762 ?       ?      0.000000       36.76175 
1 1 1 -13 35 5  o 261.119 33.697 16.005  3.6393 0.0000  0.0000  16.005  3.6393 ?       ?      261.119 33.697 0.000000       33.69679 
1 1 1 -13 35 6  o 265.279 27.836 16.027  3.0806 0.0000  0.0000  16.027  3.0806 ?       ?      265.279 27.836 0.000000       27.83609 
1 1 1 -13 35 7  o 281.799 23.769 17.746  2.8101 16.351  3.2338  22.047  5.6785 267.022 29.067 293.761 47.247 -26.73886      55.47205 
1 1 1 -13 35 8  o 121.184 35.113 3.5493  1.9062 2.4739  2.0898  8.8772  4.6514 105.364 37.369 177.822 55.614 -72.45856      67.00287 
1 1 1 -13 35 9  o 219.044 21.111 10.651  1.9341 9.2665  2.7932  11.927  2.6806 196.698 34.805 227.846 28.398 -31.14828      44.92032 
1 1 1 -13 35 10 o 197.923 26.604 8.9567  2.1734 7.3337  3.0481  10.635  3.0999 169.547 42.526 209.867 36.185 -40.32028      55.83791 
1 1 1 -13 35 11 o 330.001 21.125 24.110  2.9368 18.813  3.9330  30.784  4.4152 282.178 33.571 366.549 28.672 -84.37073      44.14806 
1 1 1 -13 35 12 f 151.462 26.784 5.3121  1.6551 1.5603  2.6369  7.7513  2.1262 98.870  40.194 182.764 28.392 -83.89347      49.20991 
1 1 1 -13 35 13 o 195.710 50.191 10.424  4.1799 0.0000  0.0000  10.424  4.1799 ?       ?      195.710 50.191 0.000000       50.19129 
1 1 1 -13 35 14 o 75.912  31.540 0.5806  1.6706 0.0000  0.0000  0.5806  1.6706 ?       ?      75.912  31.540 0.000000       31.53985 
1 1 1 -13 36 1  o 59.559  26.851 -0.5633 1.4314 -0.9900 1.8977  -0.0000 2.1803 65.992  30.204 79.115  34.518 -13.12294      45.86740 
1 1 1 -13 36 2  o 241.609 23.361 13.043  2.3604 8.8701  3.1214  18.616  3.6073 189.315 40.177 284.145 30.452 -94.83046      50.41320 
1 1 1 -13 36 3  o 48.859  22.870 -1.0642 1.1829 -3.2262 1.6686  1.1199  1.6771 47.897  23.553 83.126  32.629 -35.22967      40.24186 
1 1 1 -13 36 4  o 262.204 22.183 15.282  2.4401 14.548  3.2465  16.236  3.6994 250.075 31.343 262.265 34.116 -12.18974      46.32775 
1 1 1 -13 36 5  o 110.874 29.621 2.9047  1.4173 3.5000  1.9249  2.2000  2.0945 120.294 35.408 101.651 37.231 18.64279       51.37958 
1 1 1 -13 36 6  o 123.229 36.450 3.7004  2.0354 0.0000  0.0000  3.7004  2.0354 ?       ?      123.229 36.450 0.000000       36.44986 
1 1 1 -13 36 7  o 133.484 38.193 4.4155  2.2682 0.0000  0.0000  4.4155  2.2682 ?       ?      133.484 38.193 0.000000       38.19284 
1 1 1 -13 36 8  o 124.222 28.764 3.6408  1.4833 1.7885  2.0203  5.8073  2.1849 95.450  36.242 154.932 34.215 -59.48207      49.84095 
1 1 1 -13 36 9  o 116.273 39.193 3.2412  2.2868 4.3364  2.7378  0.7138  4.1591 131.275 42.843 107.391 47.243 23.88446       63.77573 
1 1 1 -13 36 10 o 92.848  35.842 1.6136  1.9975 3.2035  2.4832  -1.3014 3.3624 116.216 40.781 86.815  39.907 29.40148       57.05877 
1 1 1 -13 36 11 o 259.310 22.657 15.043  2.4631 15.392  3.3366  14.626  3.6514 256.257 31.403 246.076 36.113 10.18051       47.85742 
1 1 1 -13 36 12 o 91.755  33.918 1.7304  1.7446 3.9793  2.4847  -0.4564 2.4501 126.201 40.788 79.087  35.434 47.11413       54.02975 
1 1 1 -13 37 4  o 128.131 29.401 3.8778  1.5615 6.4665  2.2270  1.3740  2.1902 164.470 33.119 92.454  36.966 72.01585       49.63197 
1 1 1 -13 37 5  o 148.842 25.666 5.0898  1.5594 6.5826  2.1669  3.4863  2.2458 166.552 31.884 119.826 38.783 46.72549       50.20658 
1 1 1 -13 37 6  f 110.775 29.232 2.9050  1.3913 2.1709  1.8563  3.8459  2.1015 99.278  35.219 125.135 37.043 -25.85677      51.11317 
1 1 1 -13 37 7  f 143.393 26.056 4.7495  1.5240 4.2033  2.0636  5.4048  2.2603 130.726 36.090 148.152 36.309 -17.42570      51.19420 
1 1 1 -13 37 8  o 107.748 36.399 2.7178  1.9724 0.0000  0.0000  2.7178  1.9724 ?       ?      107.748 36.399 0.000000       36.39930 
1 1 1 -13 37 9  o 131.869 37.972 4.3331  2.2355 0.0000  0.0000  4.3331  2.2355 ?       ?      131.869 37.972 0.000000       37.97182 
1 1 1 -12 0  1  o 600.720 23.164 76.955  5.8730 75.433  8.2686  78.505  8.3433 592.490 33.192 604.644 32.804 -0.000000      0.000000 
1 1 1 -12 0  2  o 766.055 33.556 125.667 10.839 125.667 10.839  0.0000  0.0000 766.055 33.556 766.055 33.556 -0.000000      0.000000 
1 1 1 -12 0  3  f 254.917 39.816 14.823  3.9857 14.823  3.9857  0.0000  0.0000 254.917 39.816 254.917 39.816 0.000000       0.000000 
1 1 1 -12 0  4  o 293.705 23.769 18.672  2.9119 16.843  4.1159  20.505  4.1202 273.790 37.493 305.238 32.835 -0.000000      0.000000 
1 1 1 -12 0  5  o 1210.53 25.506 311.714 13.063 311.912 18.329  311.509 18.621 1208.21 35.895 1207.24 36.498 0.000000       0.000000 
1 1 1 -12 0  6  o 1448.82 27.029 446.580 16.571 418.412 23.197  475.929 23.679 1398.62 39.234 1492.49 37.517 0.000000       0.000000 
1 1 1 -12 0  7  o 1284.97 25.782 351.242 14.017 338.248 19.598  364.850 20.056 1257.90 36.862 1306.73 36.305 0.000000       0.000000 
1 1 1 -12 0  8  o 273.596 23.631 16.247  2.6910 16.287  3.7976  16.207  3.8139 270.071 34.790 269.258 35.095 0.000000       0.000000 
1 1 1 -12 0  9  f 144.348 46.824 5.6484  2.5313 5.6484  2.5313  0.0000  0.0000 144.348 46.824 144.348 46.824 -0.000000      0.000000 
1 1 1 -12 0  10 o 772.473 31.361 127.656 10.221 127.656 10.221  0.0000  0.0000 772.473 31.361 772.473 31.361 0.000000       0.000000 
1 1 1 -12 0  11 o 475.633 21.567 48.322  4.3237 45.935  6.2952  50.454  5.9488 460.986 32.621 484.359 29.246 -0.000000      0.000000 
1 1 1 -12 0  12 o 558.752 29.203 66.970  6.8671 66.970  6.8671  0.0000  0.0000 558.752 29.203 558.752 29.203 0.000000       0.000000 
1 1 1 -12 0  13 o 149.619 26.230 5.1712  1.5093 6.7546  2.3255  4.0190  1.9838 166.741 37.766 119.327 42.896 -0.000000      0.000000 
1 1 1 -12 0  14 o 356.843 20.426 27.296  3.0637 27.156  4.0666  27.479  4.6589 354.154 27.495 355.049 31.559 0.000000       0.000000 
1 1 1 -12 0  15 o 892.997 21.571 169.666 8.1467 172.610 10.786  165.755 12.431 899.163 28.389 879.647 33.481 0.000000       0.000000 
1 1 1 -12 0  16 o 374.294 19.555 29.988  3.0804 32.838  3.9887  25.776  4.8488 390.737 24.321 342.509 34.212 0.000000       0.000000 
1 1 1 -12 0  17 o 1782.30 41.906 683.348 31.590 0.0000  0.0000  683.348 31.590 1782.30 41.906 1782.30 41.906 0.000000       0.000000 
1 1 1 -12 0  18 o 258.679 22.783 14.563  2.4513 14.563  2.4513  0.0000  0.0000 258.679 22.783 258.679 22.783 0.000000       0.000000 
1 1 1 -12 0  19 o 398.888 15.268 33.923  2.5705 12.676  3.0493  86.103  4.7786 237.300 31.976 635.857 17.777 0.000000       0.000000 
1 1 1 -12 0  20 o 168.577 22.782 6.3733  1.5428 6.3733  1.5428  0.0000  0.0000 168.577 22.782 168.577 22.782 0.000000       0.000000 
1 1 1 -12 0  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  1  o 770.127 16.655 125.934 5.4320 127.673 7.6734  124.187 7.6905 774.384 23.399 763.671 23.780 10.71277       33.36115 
1 1 1 -12 1  2  o 152.921 30.956 5.1760  1.9359 7.7185  2.7969  2.8373  2.6824 186.533 36.713 121.346 42.396 65.18759       56.08281 
1 1 1 -12 1  3  o 582.854 22.786 72.307  5.6242 69.291  7.8659  75.462  8.0448 568.074 32.836 593.076 32.151 -25.00232      45.95527 
1 1 1 -12 1  4  o 589.512 16.094 73.778  4.0178 73.516  5.6596  74.043  5.7049 587.710 22.739 589.797 22.840 -2.087708      32.22952 
1 1 1 -12 1  5  o 639.926 16.058 86.936  4.3518 85.839  6.1363  88.046  6.1725 635.039 22.817 643.172 22.662 -8.133850      32.15862 
1 1 1 -12 1  6  o 130.413 22.478 3.7215  1.1966 2.9804  1.6989  4.4512  1.6857 116.483 32.959 141.842 29.041 -25.35908      43.92789 
1 1 1 -12 1  7  o 618.019 15.849 81.085  4.1481 78.892  5.8255  83.342  5.9080 608.790 22.595 625.767 22.294 -16.97675      31.74230 
1 1 1 -12 1  8  o 581.359 15.655 71.750  3.8541 71.727  5.4270  71.774  5.4745 580.526 22.075 580.692 22.261 -0.1660767     31.35061 
1 1 1 -12 1  9  o 485.097 22.346 50.096  4.5906 46.284  6.4672  53.966  6.5174 463.652 33.155 501.359 30.846 -37.70728      45.28508 
1 1 1 -12 1  10 o 268.911 18.360 15.440  2.0783 15.734  3.5506  15.286  2.5634 269.298 31.743 266.950 22.896 2.347626       39.13860 
1 1 1 -12 1  11 o 794.672 22.154 134.461 7.4556 134.461 7.4556  0.0000  0.0000 794.672 22.154 ?       ?      0.000000       22.15381 
1 1 1 -12 1  12 o 375.037 16.944 29.882  2.6911 30.040  3.3037  29.569  4.6392 375.135 20.878 370.628 29.809 4.507141       36.39328 
1 1 1 -12 1  13 o 623.686 14.879 82.583  3.9300 84.706  5.4900  80.352  5.6285 630.898 20.548 614.301 21.635 16.59723       29.83799 
1 1 1 -12 1  14 o 407.711 14.272 35.287  2.4642 36.186  3.4412  34.341  3.5304 412.403 19.704 401.099 20.856 11.30453       28.69148 
1 1 1 -12 1  15 o 576.938 14.172 70.667  3.4627 72.746  4.8355  68.480  4.9608 584.670 19.530 567.096 20.656 17.57385       28.42679 
1 1 1 -12 1  16 o 1054.18 18.595 236.487 8.3016 246.092 9.8904  213.586 15.272 1074.40 21.737 994.951 36.245 79.45026       42.26353 
1 1 1 -12 1  17 o 248.635 20.131 13.261  2.1015 0.0000  0.0000  13.261  2.1015 ?       ?      248.635 20.131 0.000000       20.13095 
1 1 1 -12 1  18 o 332.103 13.734 23.437  1.9316 22.720  2.4489  24.617  3.1424 326.115 17.799 338.731 22.026 -12.61584      28.31869 
1 1 1 -12 1  19 o 523.624 16.342 58.392  3.6239 42.600  4.3465  94.398  6.5633 445.394 23.123 663.794 23.348 -218.3998      32.86032 
1 1 1 -12 1  20 o 549.674 30.889 65.659  7.1613 0.0000  0.0000  65.659  7.1613 ?       ?      549.674 30.889 0.000000       30.88907 
1 1 1 -12 1  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 2  1  o 846.798 16.822 152.266 6.0325 159.161 8.5047  145.284 8.5580 864.651 23.226 825.854 24.469 38.79730       33.73720 
1 1 1 -12 2  2  o 665.218 23.168 94.205  6.5268 96.511  9.2351  91.903  9.2254 671.582 32.471 654.331 33.404 17.25159       46.58509 
1 1 1 -12 2  3  o 654.787 22.925 91.263  6.3569 92.433  8.9516  90.073  9.0289 657.306 32.158 647.869 33.018 9.437134       46.09015 
1 1 1 -12 2  4  o 823.025 16.534 143.824 5.7629 150.465 8.1082  137.044 8.1925 840.780 22.772 802.153 24.116 38.62677       33.16857 
1 1 1 -12 2  5  o 875.276 16.652 162.674 6.1724 164.523 8.6607  160.766 8.7991 879.065 23.264 868.839 23.914 10.22626       33.36329 
1 1 1 -12 2  6  o 244.899 19.869 12.834  2.0429 13.187  2.4831  12.093  3.5936 247.693 23.972 234.522 37.442 13.17151       44.45905 
1 1 1 -12 2  7  o 678.930 15.985 97.862  4.5961 100.146 6.4491  95.504  6.5520 685.966 22.200 669.741 23.101 16.22528       32.03864 
1 1 1 -12 2  8  o 870.326 16.399 160.846 6.0443 158.199 8.4602  163.606 8.6384 861.917 23.178 876.504 23.272 -14.58698      32.84514 
1 1 1 -12 2  9  o 693.898 18.262 102.322 5.3663 102.015 6.4858  102.986 9.5550 692.278 22.123 693.448 32.537 -1.169983      39.34535 
1 1 1 -12 2  10 o 686.922 22.395 100.469 6.5149 0.0000  0.0000  100.469 6.5149 ?       ?      686.922 22.395 0.000000       22.39523 
1 1 1 -12 2  11 o 821.800 22.027 143.791 7.6659 143.791 7.6659  0.0000  0.0000 821.800 22.027 ?       ?      0.000000       22.02695 
1 1 1 -12 2  12 o 626.034 17.122 83.270  4.5393 82.097  5.5188  85.723  7.9815 621.081 20.982 633.018 29.773 -11.93781      36.42379 
1 1 1 -12 2  13 o 654.724 14.954 91.010  4.1463 94.401  5.7203  87.257  6.0185 666.064 20.280 640.054 22.204 26.00964       30.07131 
1 1 1 -12 2  14 o 468.574 15.972 46.639  3.1694 46.732  3.8694  46.448  5.5249 468.680 19.495 465.236 28.175 3.443451       34.26192 
1 1 1 -12 2  15 o 334.529 13.875 23.757  1.9656 26.502  2.7126  20.722  2.8523 352.539 18.232 311.103 21.787 41.43564       28.40863 
1 1 1 -12 2  16 o 398.753 16.230 33.797  2.7407 35.498  3.2178  29.303  5.2305 408.419 18.604 367.448 33.998 40.97134       38.75560 
1 1 1 -12 2  17 o 237.494 20.342 12.111  2.0262 0.0000  0.0000  12.111  2.0262 ?       ?      237.494 20.342 0.000000       20.34182 
1 1 1 -12 2  18 o 124.526 16.533 3.3575  0.8503 2.9094  1.2973  3.6950  1.1259 114.173 27.216 129.911 21.197 -15.73794      34.49635 
1 1 1 -12 2  19 o 505.929 14.586 54.450  3.1251 53.915  4.4163  54.986  4.4227 502.255 20.763 507.259 20.588 -5.003235      29.24009 
1 1 1 -12 2  20 o 279.853 31.905 17.199  3.7136 0.0000  0.0000  17.199  3.7136 ?       ?      279.853 31.905 0.000000       31.90466 
1 1 1 -12 2  21 o 514.448 18.846 56.586  4.1058 60.358  5.1777  50.197  6.7391 530.042 23.067 478.527 33.466 51.51495       40.64494 
1 1 1 -12 2  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 2  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 2  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 2  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 2  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 2  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 2  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 2  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 3  1  o 915.476 16.999 177.979 6.5904 177.610 9.2491  178.359 9.3929 913.232 23.915 915.083 24.238 -1.851807      34.05029 
1 1 1 -12 3  2  o 527.154 22.855 59.152  5.1023 59.993  7.1412  58.274  7.2926 528.616 32.051 520.689 33.246 7.927002       46.17937 
1 1 1 -12 3  3  o 526.763 22.617 59.058  5.0454 60.809  7.0361  57.204  7.2389 532.366 31.347 515.848 33.315 16.51727       45.74384 
1 1 1 -12 3  4  o 726.685 16.282 112.116 5.0106 103.072 6.9892  121.679 7.1871 695.717 23.722 756.133 22.445 -60.41620      32.65722 
1 1 1 -12 3  5  o 1371.94 18.757 399.980 10.898 393.958 15.266  406.237 15.562 1359.16 26.523 1380.14 26.626 -20.97864      37.58202 
1 1 1 -12 3  6  o 976.078 16.921 202.329 6.9943 197.544 9.7591  207.383 10.029 963.056 23.928 986.730 24.001 -23.67462      33.89132 
1 1 1 -12 3  7  o 1290.98 18.232 354.124 9.9675 362.336 13.953  345.565 14.244 1303.79 25.271 1272.87 26.424 30.92383       36.56284 
1 1 1 -12 3  8  o 570.321 17.871 69.107  4.3162 64.675  5.2296  78.578  7.6445 551.196 22.404 606.330 29.771 -55.13446      37.25909 
1 1 1 -12 3  9  o 351.870 17.918 26.376  2.6612 26.986  3.2027  25.014  4.7830 355.482 21.373 340.017 33.658 15.46512       39.87119 
1 1 1 -12 3  10 o 498.088 22.097 52.818  4.6609 0.0000  0.0000  52.818  4.6609 ?       ?      498.088 22.097 0.000000       22.09651 
1 1 1 -12 3  11 o 981.715 30.897 206.293 12.845 206.293 12.845  0.0000  0.0000 981.715 30.897 ?       ?      0.000000       30.89702 
1 1 1 -12 3  12 o 607.123 21.637 78.475  5.5632 76.793  7.9269  80.107  7.8096 597.992 31.411 611.845 30.140 -13.85266      43.53262 
1 1 1 -12 3  13 o 1214.99 17.084 313.674 8.7905 312.479 12.128  314.997 12.759 1210.73 23.654 1215.20 24.792 -4.469727      34.26633 
1 1 1 -12 3  14 o 425.985 14.226 38.521  2.5663 40.402  3.4944  36.320  3.7813 435.832 18.932 412.376 21.729 23.45554       28.81978 
1 1 1 -12 3  15 o 580.411 16.204 71.582  3.9829 70.338  6.2976  72.411  5.1418 573.790 25.917 583.099 20.822 -9.308960      33.24501 
1 1 1 -12 3  16 o 662.975 25.645 93.968  7.2001 93.968  7.2001  0.0000  0.0000 662.975 25.645 ?       ?      0.000000       25.64479 
1 1 1 -12 3  17 o 745.350 15.627 118.113 4.9325 106.656 7.6602  126.227 6.4469 705.872 25.625 769.591 19.781 -63.71875      32.37190 
1 1 1 -12 3  18 o 271.697 19.240 15.819  2.1995 0.0000  0.0000  15.819  2.1995 ?       ?      271.697 19.240 0.000000       19.23999 
1 1 1 -12 3  19 o 331.586 20.255 23.576  2.8307 23.576  2.8307  0.0000  0.0000 331.586 20.255 ?       ?      0.000000       20.25530 
1 1 1 -12 3  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 3  21 o 438.281 18.173 41.046  3.3731 42.802  4.2130  37.909  5.6300 446.546 22.278 416.060 32.204 30.48630       39.15872 
1 1 1 -12 3  22 o 177.129 32.681 7.0557  2.3611 0.0000  0.0000  7.0557  2.3611 ?       ?      177.129 32.681 0.000000       32.68051 
1 1 1 -12 3  23 o 180.242 31.912 7.3087  2.3467 0.0000  0.0000  7.3087  2.3467 ?       ?      180.242 31.912 0.000000       31.91247 
1 1 1 -12 3  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 3  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 3  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 3  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 3  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 3  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 4  1  o 731.010 16.460 113.462 5.0956 113.315 7.1378  113.613 7.2767 729.573 23.102 730.458 23.523 -0.8856812     32.97039 
1 1 1 -12 4  2  o 806.223 23.590 138.410 8.0543 140.914 11.249  135.775 11.537 811.380 32.739 796.053 34.222 15.32672       47.36012 
1 1 1 -12 4  3  o 965.046 19.737 197.981 8.0663 207.035 13.741  193.221 9.9636 983.397 32.996 952.311 24.706 31.08569       41.21984 
1 1 1 -12 4  4  f 706.831 18.532 106.160 5.5475 107.020 6.7596  104.385 9.7087 709.103 22.510 698.302 32.830 10.80084       39.80592 
1 1 1 -12 4  5  o 629.708 15.972 84.183  4.2594 83.571  5.9208  84.841  6.1323 626.635 22.311 631.289 22.938 -4.653503      31.99882 
1 1 1 -12 4  6  o 1128.62 17.525 270.578 8.3762 284.822 11.706  255.633 11.991 1156.38 23.904 1094.97 25.858 61.40393       35.21401 
1 1 1 -12 4  7  o 729.944 15.996 113.125 4.9449 108.112 6.8626  118.539 7.1314 712.612 22.740 746.217 22.567 -33.60468      32.03691 
1 1 1 -12 4  8  f 660.372 15.737 92.585  4.4010 96.135  6.0993  88.729  6.3566 672.157 21.427 645.464 23.255 26.69293       31.62129 
1 1 1 -12 4  9  o 896.105 18.713 170.684 7.1013 170.159 8.5431  171.856 12.774 893.953 22.566 895.357 33.689 -1.404175      40.54844 
1 1 1 -12 4  10 o 791.015 23.020 133.276 7.7115 0.0000  0.0000  133.276 7.7115 ?       ?      791.015 23.020 0.000000       23.02028 
1 1 1 -12 4  11 o 631.617 21.157 84.907  5.6591 82.942  7.5070  87.492  8.6129 622.984 28.454 639.107 31.822 -16.12341      42.68855 
1 1 1 -12 4  12 o 306.208 31.471 20.288  4.0229 0.0000  0.0000  20.288  4.0229 ?       ?      306.208 31.471 0.000000       31.47063 
1 1 1 -12 4  13 o 486.485 16.684 50.282  3.4373 52.084  5.3795  49.038  4.4685 493.312 25.840 479.838 21.990 13.47400       33.93015 
1 1 1 -12 4  14 o 321.159 16.387 21.971  2.2213 20.014  3.4497  23.357  2.9033 304.873 26.998 330.573 20.845 -25.70004      34.10928 
1 1 1 -12 4  15 o 995.900 18.000 210.931 7.5915 209.576 12.072  211.817 9.7638 989.340 28.812 996.577 23.135 -7.237488      36.95076 
1 1 1 -12 4  16 o 432.346 19.247 39.798  3.5240 45.565  4.5064  30.719  5.6541 462.065 23.029 375.668 35.980 86.39691       42.71912 
1 1 1 -12 4  17 o 479.916 14.936 48.953  3.0355 52.585  4.6322  46.220  4.0186 496.305 22.039 465.571 20.382 30.73410       30.01909 
1 1 1 -12 4  18 o 428.550 13.998 39.036  2.5404 35.308  3.7655  42.150  3.4416 405.867 21.990 444.725 18.274 -38.85828      28.59151 
1 1 1 -12 4  19 o 157.421 34.604 5.5860  2.2440 0.0000  0.0000  5.5860  2.2440 ?       ?      157.421 34.604 0.000000       34.60402 
1 1 1 -12 4  20 o 563.568 21.754 68.050  5.1919 68.050  5.1919  0.0000  0.0000 563.568 21.754 ?       ?      0.000000       21.75395 
1 1 1 -12 4  21 o 348.238 22.886 26.161  3.3564 26.161  3.3564  0.0000  0.0000 348.238 22.886 ?       ?      0.000000       22.88626 
1 1 1 -12 4  22 o 439.251 20.171 41.364  3.7522 47.973  5.1362  33.801  5.4948 470.506 25.876 391.592 33.455 78.91452       42.29460 
1 1 1 -12 4  23 o 386.237 29.506 32.716  4.7897 0.0000  0.0000  32.716  4.7897 ?       ?      386.237 29.506 0.000000       29.50598 
1 1 1 -12 4  24 o 188.333 30.528 7.9748  2.3515 0.0000  0.0000  7.9748  2.3515 ?       ?      188.333 30.528 0.000000       30.52815 
1 1 1 -12 4  25 o 255.057 28.273 14.461  3.0025 0.0000  0.0000  14.461  3.0025 ?       ?      255.057 28.273 0.000000       28.27315 
1 1 1 -12 4  26 o 165.779 29.167 6.2333  1.9730 0.0000  0.0000  6.2333  1.9730 ?       ?      165.779 29.167 0.000000       29.16737 
1 1 1 -12 4  27 o 88.964  26.667 1.7735  1.0841 0.0000  0.0000  1.7735  1.0841 ?       ?      88.964  26.667 0.000000       26.66747 
1 1 1 -12 4  28 o 136.910 28.096 4.3201  1.5744 0.0000  0.0000  4.3201  1.5744 ?       ?      136.910 28.096 0.000000       28.09561 
1 1 1 -12 4  29 o 167.552 26.289 6.3739  1.8040 0.0000  0.0000  6.3739  1.8040 ?       ?      167.552 26.289 0.000000       26.28922 
1 1 1 -12 5  1  o 605.922 16.151 77.947  4.1445 76.119  5.7813  79.880  5.9444 597.984 22.829 612.568 22.914 -14.58350      32.34585 
1 1 1 -12 5  2  o 856.724 19.271 156.005 6.9917 153.564 8.4883  161.157 12.330 849.192 23.603 867.429 33.564 -18.23792      41.03262 
1 1 1 -12 5  3  o 636.019 23.144 86.125  6.2338 0.0000  0.0000  86.125  6.2338 ?       ?      636.019 23.144 0.000000       23.14405 
1 1 1 -12 5  4  o 669.935 18.439 95.366  5.2314 99.240  6.3706  87.345  9.1671 682.898 22.028 637.592 34.074 45.30627       40.57413 
1 1 1 -12 5  5  o 476.846 15.726 48.270  3.1757 50.864  4.4249  45.515  4.5603 488.963 21.369 461.740 23.398 27.22253       31.68715 
1 1 1 -12 5  6  o 376.891 15.700 30.155  2.5058 30.619  3.4851  29.658  3.6056 378.708 21.823 372.531 22.966 6.176392       31.68087 
1 1 1 -12 5  7  o 634.924 15.698 85.584  4.2210 83.098  5.8355  88.311  6.1128 624.843 22.053 644.092 22.410 -19.24841      31.44121 
1 1 1 -12 5  8  o 746.099 18.368 118.300 5.8037 114.360 9.5127  120.637 7.3249 731.185 30.721 752.658 22.981 -21.47260      38.36513 
1 1 1 -12 5  9  o 662.206 21.548 93.329  6.0427 88.275  8.0890  99.712  9.0898 642.547 29.727 682.512 31.448 -39.96478      43.27434 
1 1 1 -12 5  10 o 808.821 18.207 139.040 6.2364 136.034 10.062  140.915 7.9466 797.543 29.792 813.339 23.071 -15.79572      37.68103 
1 1 1 -12 5  11 o 416.469 32.532 37.392  5.6922 0.0000  0.0000  37.392  5.6922 ?       ?      416.469 32.532 0.000000       32.53244 
1 1 1 -12 5  12 o 558.253 31.071 66.941  7.3165 0.0000  0.0000  66.941  7.3165 ?       ?      558.253 31.071 0.000000       31.07071 
1 1 1 -12 5  13 o 1180.32 19.239 296.326 9.6167 266.569 15.405  315.328 12.310 1114.80 32.630 1216.09 23.903 -101.2938      40.44839 
1 1 1 -12 5  14 o 381.546 16.353 30.931  2.6424 34.989  4.1238  28.104  3.4417 404.280 24.198 362.452 22.534 41.82828       33.06524 
1 1 1 -12 5  15 o 632.141 16.466 84.928  4.4082 82.097  6.8612  86.919  5.7525 619.771 26.141 638.717 21.267 -18.94604      33.69941 
1 1 1 -12 5  16 f 444.894 18.862 42.137  3.5537 45.356  4.5303  36.988  5.7296 460.349 23.314 413.294 33.011 47.05502       40.41401 
1 1 1 -12 5  17 o 681.893 15.584 98.870  4.5002 102.779 6.8403  95.886  5.9756 693.460 23.292 670.372 21.048 23.08887       31.39356 
1 1 1 -12 5  18 f 479.527 14.163 48.883  2.8761 47.738  4.2743  49.831  3.8880 472.689 21.352 483.389 18.993 -10.69977      28.57714 
1 1 1 -12 5  19 o 448.975 17.041 42.963  3.2401 45.303  3.9432  38.099  5.6851 460.430 20.223 418.106 32.359 42.32419       38.15864 
1 1 1 -12 5  20 o 498.074 30.129 53.923  6.3251 0.0000  0.0000  53.923  6.3251 ?       ?      498.074 30.129 0.000000       30.12881 
1 1 1 -12 5  21 o 161.306 22.180 5.6859  1.4751 6.7371  2.0100  4.4591  2.1714 174.363 28.182 139.948 36.322 34.41515       45.97316 
1 1 1 -12 5  22 o 594.734 26.754 76.560  6.7384 76.560  6.7384  0.0000  0.0000 594.734 26.754 ?       ?      0.000000       26.75417 
1 1 1 -12 5  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 5  24 o 339.010 27.631 25.271  3.9324 0.0000  0.0000  25.271  3.9324 ?       ?      339.010 27.631 0.000000       27.63106 
1 1 1 -12 5  25 o 106.055 29.730 2.5584  1.3890 0.0000  0.0000  2.5584  1.3890 ?       ?      106.055 29.730 0.000000       29.73014 
1 1 1 -12 5  26 o 173.796 27.401 6.7906  1.9500 0.0000  0.0000  6.7906  1.9500 ?       ?      173.796 27.401 0.000000       27.40130 
1 1 1 -12 5  27 f 244.345 26.015 13.293  2.6506 0.0000  0.0000  13.293  2.6506 ?       ?      244.345 26.015 0.000000       26.01487 
1 1 1 -12 5  28 o 168.416 26.828 6.4407  1.8493 0.0000  0.0000  6.4407  1.8493 ?       ?      168.416 26.828 0.000000       26.82814 
1 1 1 -12 5  29 o 167.499 20.178 6.2000  1.4025 0.0000  0.0000  6.2000  1.4025 ?       ?      167.499 20.178 0.000000       20.17847 
1 1 1 -12 6  1  o 467.710 16.261 46.446  3.2209 44.603  4.4913  48.397  4.6215 457.106 23.278 476.802 22.888 -19.69592      32.64539 
1 1 1 -12 6  2  o 621.014 18.498 81.949  4.8648 81.236  5.8942  83.472  8.6162 617.784 22.529 623.597 32.741 -5.812988      39.74302 
1 1 1 -12 6  3  o 1217.24 25.876 315.907 13.339 0.0000  0.0000  315.907 13.339 ?       ?      1217.24 25.876 0.000000       25.87632 
1 1 1 -12 6  4  o 438.529 18.212 40.861  3.3822 45.134  4.1299  32.158  5.8937 460.612 21.172 385.385 36.549 75.22681       42.23804 
1 1 1 -12 6  5  o 924.642 19.326 181.742 7.5678 175.621 12.682  185.127 9.4309 905.546 33.071 932.255 23.888 -26.70880      40.79585 
1 1 1 -12 6  6  o 228.775 19.942 11.212  1.9127 10.109  3.1416  11.862  2.4111 214.260 35.892 234.675 24.628 -20.41478      43.52950 
1 1 1 -12 6  7  o 807.540 18.569 138.594 6.3503 129.894 10.441  143.702 8.0001 779.054 31.646 821.479 22.996 -42.42566      39.11924 
1 1 1 -12 6  8  o 637.728 17.868 86.416  4.8257 80.384  7.8119  90.138  6.1365 613.117 30.086 650.692 22.269 -37.57465      37.43130 
1 1 1 -12 6  9  o 1258.60 24.677 337.696 13.153 326.627 17.831  350.907 19.481 1234.02 34.120 1278.14 35.991 -44.12195      49.59362 
1 1 1 -12 6  10 o 523.756 17.375 58.286  3.8540 51.228  6.1311  62.896  4.9554 488.530 29.777 543.578 21.527 -55.04761      36.74315 
1 1 1 -12 6  11 o 420.608 22.391 37.783  3.9740 0.0000  0.0000  37.783  3.9740 ?       ?      420.608 22.391 0.000000       22.39080 
1 1 1 -12 6  12 o 615.017 31.505 81.244  8.1781 0.0000  0.0000  81.244  8.1781 ?       ?      615.017 31.505 0.000000       31.50506 
1 1 1 -12 6  13 o 988.706 21.862 208.211 9.1536 200.081 12.139  218.928 13.937 966.836 29.646 1010.22 32.578 -43.38843      44.04775 
1 1 1 -12 6  14 o 1032.53 18.409 226.738 8.0498 229.575 12.759  224.863 10.375 1035.57 29.094 1026.72 23.861 8.852661       37.62772 
1 1 1 -12 6  15 o 352.319 16.010 26.378  2.3887 26.869  3.6745  26.018  3.1436 353.882 24.673 348.776 21.386 5.105103       32.65195 
1 1 1 -12 6  16 o 565.252 18.859 68.029  4.5145 72.980  5.7472  60.054  7.2950 584.627 23.213 527.177 32.839 57.45013       40.21493 
1 1 1 -12 6  17 o 471.628 14.840 47.283  2.9641 46.210  4.3789  48.189  4.0269 465.129 22.230 475.376 20.003 -10.24750      29.90478 
1 1 1 -12 6  18 o 324.831 14.154 22.433  1.9471 23.072  2.8630  21.883  2.6558 328.036 20.715 319.623 19.717 8.413818       28.59878 
1 1 1 -12 6  19 o 452.615 16.997 43.666  3.2579 44.963  3.9810  41.038  5.6686 458.598 20.498 434.427 31.015 24.17081       37.17722 
1 1 1 -12 6  20 o 184.551 18.979 7.3535  1.4622 7.5669  1.8276  6.9741  2.4373 186.258 23.707 176.133 33.907 10.12444       41.37274 
1 1 1 -12 6  21 o 399.375 28.720 34.737  4.8251 0.0000  0.0000  34.737  4.8251 ?       ?      399.375 28.720 0.000000       28.72020 
1 1 1 -12 6  22 o 209.545 30.077 9.7386  2.5925 0.0000  0.0000  9.7386  2.5925 ?       ?      209.545 30.077 0.000000       30.07722 
1 1 1 -12 6  23 o 171.722 30.954 6.6370  2.1683 0.0000  0.0000  6.6370  2.1683 ?       ?      171.722 30.954 0.000000       30.95411 
1 1 1 -12 6  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 6  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 6  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 6  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 6  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 6  29 o 138.158 28.513 4.4218  1.6129 0.0000  0.0000  4.4218  1.6129 ?       ?      138.158 28.513 0.000000       28.51273 
1 1 1 -12 7  1  o 276.559 19.858 16.344  2.3103 19.368  3.8352  14.622  2.8943 299.462 30.674 260.504 26.609 38.95816       40.60731 
1 1 1 -12 7  2  o 467.736 22.568 46.570  4.4703 44.158  6.1488  49.275  6.5108 453.114 32.254 478.754 32.302 -25.64017      45.64757 
1 1 1 -12 7  3  o 484.633 25.098 50.191  5.1334 0.0000  0.0000  50.191  5.1334 ?       ?      484.633 25.098 0.000000       25.09784 
1 1 1 -12 7  4  o 387.893 22.736 32.141  3.7185 26.714  5.0609  38.507  5.4817 351.384 34.453 423.255 30.793 -71.87131      46.20819 
1 1 1 -12 7  5  f 449.203 18.298 42.878  3.4809 40.822  5.6991  44.102  4.3962 435.780 31.085 454.544 22.912 -18.76462      38.61634 
1 1 1 -12 7  6  o 325.556 18.628 22.598  2.5575 20.419  4.1287  23.956  3.2579 307.204 32.215 334.611 23.133 -27.40659      39.65978 
1 1 1 -12 7  7  f 522.710 17.793 58.053  3.9387 57.595  6.3986  58.333  4.9977 518.327 29.269 523.425 22.546 -5.097229      36.94629 
1 1 1 -12 7  8  o 543.297 17.623 62.716  4.0547 65.335  6.5132  61.058  5.1812 552.414 27.932 535.446 22.849 16.96796       36.08698 
1 1 1 -12 7  9  o 132.724 29.834 3.9146  1.6361 4.6758  2.1714  2.9150  2.4884 144.740 35.658 120.494 40.883 24.24591       54.24862 
1 1 1 -12 7  10 o 509.346 17.246 55.121  3.7200 54.826  5.9326  55.313  4.7755 505.862 27.800 509.670 22.125 -3.808075      35.52933 
1 1 1 -12 7  11 o 222.754 18.644 10.622  1.7426 10.951  2.8196  10.420  2.2167 224.206 30.487 219.770 24.219 4.436142       38.93601 
1 1 1 -12 7  12 o 355.427 22.242 27.012  3.3310 0.0000  0.0000  27.012  3.3310 ?       ?      355.427 22.242 0.000000       22.24182 
1 1 1 -12 7  13 o 1003.23 22.084 214.419 9.3825 215.551 12.440  212.925 14.289 1003.57 29.271 995.644 33.889 7.929443       44.77945 
1 1 1 -12 7  14 o 489.464 16.325 50.908  3.3840 48.149  5.2118  52.918  4.4494 474.034 26.062 498.451 21.078 -24.41736      33.51895 
1 1 1 -12 7  15 o 652.719 16.501 90.565  4.5613 94.733  7.0335  87.539  5.9921 665.908 24.941 640.739 22.083 25.16907       33.31221 
1 1 1 -12 7  16 o 755.527 19.433 121.601 6.2176 123.735 7.9444  118.228 9.9887 760.730 24.660 741.232 31.821 19.49847       40.25748 
1 1 1 -12 7  17 o 750.317 15.912 119.758 5.0562 121.472 7.5031  118.333 6.8434 753.619 23.510 744.365 21.709 9.253967       31.99977 
1 1 1 -12 7  18 o 704.304 15.270 105.545 4.5544 109.866 6.7519  101.937 6.1694 716.637 22.248 690.648 21.093 25.98914       30.65740 
1 1 1 -12 7  19 o 271.642 16.813 15.788  1.9247 13.399  2.3805  20.296  3.2706 249.026 22.826 306.261 25.447 -57.23515      34.18504 
1 1 1 -12 7  20 o 388.602 16.965 32.219  2.7919 32.531  3.5084  31.681  4.6101 389.049 21.376 381.652 28.734 7.396271       35.81326 
1 1 1 -12 7  21 o 320.145 18.108 21.978  2.4450 23.808  3.2072  19.438  3.7780 332.022 22.951 297.574 30.406 34.44839       38.09561 
1 1 1 -12 7  22 o 150.150 32.157 5.1069  1.9832 0.0000  0.0000  5.1069  1.9832 ?       ?      150.150 32.157 0.000000       32.15738 
1 1 1 -12 7  23 o 87.485  28.568 1.6190  1.2173 0.0000  0.0000  1.6190  1.2173 ?       ?      87.485  28.568 0.000000       28.56809 
1 1 1 -12 7  24 o 206.423 27.236 9.4627  2.3228 0.0000  0.0000  9.4627  2.3228 ?       ?      206.423 27.236 0.000000       27.23600 
1 1 1 -12 7  25 o 162.925 28.596 6.0015  1.9011 0.0000  0.0000  6.0015  1.9011 ?       ?      162.925 28.596 0.000000       28.59649 
1 1 1 -12 7  26 o 94.228  28.954 1.9794  1.2671 0.0000  0.0000  1.9794  1.2671 ?       ?      94.228  28.954 0.000000       28.95424 
1 1 1 -12 7  27 o 122.094 29.125 3.4497  1.4849 0.0000  0.0000  3.4497  1.4849 ?       ?      122.094 29.125 0.000000       29.12509 
1 1 1 -12 7  28 o 158.725 27.503 5.7596  1.7817 0.0000  0.0000  5.7596  1.7817 ?       ?      158.725 27.503 0.000000       27.50250 
1 1 1 -12 7  29 o 114.272 29.089 3.0488  1.4114 0.0000  0.0000  3.0488  1.4114 ?       ?      114.272 29.089 0.000000       29.08933 
1 1 1 -12 8  1  o 641.148 23.528 87.547  6.3882 0.0000  0.0000  87.547  6.3882 ?       ?      641.148 23.528 0.000000       23.52756 
1 1 1 -12 8  2  o 256.135 25.606 14.124  2.7403 16.899  3.8359  11.231  3.9161 279.015 33.110 224.617 42.731 54.39830       54.05706 
1 1 1 -12 8  3  o 459.853 23.245 45.145  4.5121 0.0000  0.0000  45.145  4.5121 ?       ?      459.853 23.245 0.000000       23.24464 
1 1 1 -12 8  4  o 667.997 18.491 94.829  5.2309 99.092  8.6520  92.373  6.5671 680.836 30.008 658.548 23.547 22.28827       38.14354 
1 1 1 -12 8  5  o 320.595 22.755 21.993  3.0694 24.897  4.1235  18.384  4.5966 340.185 28.896 289.969 38.375 50.21603       48.03730 
1 1 1 -12 8  6  o 340.893 18.396 24.768  2.6459 23.691  4.2222  25.465  3.3953 331.480 30.416 344.985 23.378 -13.50528      38.36221 
1 1 1 -12 8  7  o 464.073 21.391 45.832  4.2040 44.426  5.6069  47.638  6.3536 454.996 29.254 470.605 32.071 -15.60876      43.40898 
1 1 1 -12 8  8  o 633.735 17.724 85.340  4.7567 82.690  7.6393  87.018  6.0790 621.994 29.002 639.259 22.455 -17.26483      36.67871 
1 1 1 -12 8  9  o 369.257 21.338 29.117  3.3225 26.294  4.3878  32.911  5.0870 349.364 29.946 390.927 30.981 -41.56351      43.08779 
1 1 1 -12 8  10 o 231.176 18.516 11.433  1.7975 12.192  2.8251  10.917  2.3300 237.139 28.716 224.915 24.878 12.22377       37.99410 
1 1 1 -12 8  11 o 417.313 20.359 37.057  3.5981 37.777  4.7297  36.067  5.5435 419.776 26.745 408.969 32.269 10.80679       41.91188 
1 1 1 -12 8  12 o 426.645 21.987 38.872  3.9592 0.0000  0.0000  38.872  3.9592 ?       ?      426.645 21.987 0.000000       21.98746 
1 1 1 -12 8  13 o 781.941 17.353 129.966 5.7463 131.943 9.0212  128.615 7.4541 785.704 27.112 776.820 22.659 8.883789       35.33366 
1 1 1 -12 8  14 o 457.395 25.352 44.818  4.8915 44.818  4.8915  0.0000  0.0000 457.395 25.352 ?       ?      0.000000       25.35161 
1 1 1 -12 8  15 o 364.897 15.953 28.300  2.4652 27.123  3.7213  29.220  3.2908 355.431 24.879 369.674 21.108 -14.24338      32.62709 
1 1 1 -12 8  16 o 918.895 20.178 179.999 7.8521 180.729 10.107  178.887 12.471 918.731 25.977 911.280 32.316 7.451416       41.46208 
1 1 1 -12 8  17 o 137.187 17.981 4.0767  1.0195 2.5834  1.5922  5.1144  1.3272 108.604 32.264 153.391 20.982 -44.78728      38.48604 
1 1 1 -12 8  18 o 704.382 15.182 105.579 4.5288 97.669  6.6582  112.388 6.1781 675.237 23.284 725.394 20.111 -50.15723      30.76690 
1 1 1 -12 8  19 o 264.967 13.476 14.970  1.5071 12.818  2.3844  16.401  1.9450 243.349 23.426 276.890 16.664 -33.54115      28.74857 
1 1 1 -12 8  20 o 695.519 17.881 103.318 5.2668 102.140 6.7454  105.157 8.4296 689.568 23.099 697.061 28.556 -7.493164      36.72842 
1 1 1 -12 8  21 o 241.863 18.964 12.593  1.9268 11.420  2.5742  14.088  2.9058 228.243 27.165 253.726 27.483 -25.48373      38.64232 
1 1 1 -12 8  22 o 187.526 19.145 7.6111  1.4991 6.1220  2.0961  9.1702  2.1448 164.941 31.150 204.513 25.304 -39.57111      40.13257 
1 1 1 -12 8  23 o 241.513 20.421 12.632  2.0691 12.252  3.3297  12.871  2.6408 233.030 34.808 242.108 26.172 -9.078583      43.54962 
1 1 1 -12 8  24 o 406.838 25.870 36.247  4.4341 0.0000  0.0000  36.247  4.4341 ?       ?      406.838 25.870 0.000000       25.87045 
1 1 1 -12 8  25 o 122.920 30.028 3.4722  1.5498 0.0000  0.0000  3.4722  1.5498 ?       ?      122.920 30.028 0.000000       30.02839 
1 1 1 -12 8  26 f 232.531 26.073 12.011  2.5233 0.0000  0.0000  12.011  2.5233 ?       ?      232.531 26.073 0.000000       26.07340 
1 1 1 -12 8  27 o 369.883 25.056 30.277  3.9017 0.0000  0.0000  30.277  3.9017 ?       ?      369.883 25.056 0.000000       25.05632 
1 1 1 -12 8  28 o 118.897 30.517 3.3132  1.5443 0.0000  0.0000  3.3132  1.5443 ?       ?      118.897 30.517 0.000000       30.51681 
1 1 1 -12 8  29 o 135.719 28.300 4.2683  1.5739 0.0000  0.0000  4.2683  1.5739 ?       ?      135.719 28.300 0.000000       28.29997 
1 1 1 -12 9  1  o 563.580 18.684 67.505  4.4592 62.475  7.4612  70.300  5.5618 539.130 32.836 574.601 22.856 -35.47040      40.00750 
1 1 1 -12 9  2  o 339.953 23.123 24.722  3.3092 23.607  4.4589  26.089  4.9375 330.555 32.263 347.282 34.009 -16.72656      46.87777 
1 1 1 -12 9  3  o 514.121 18.308 56.169  3.9861 54.122  6.5495  57.374  5.0236 502.078 30.954 519.087 22.852 -17.00885      38.47557 
1 1 1 -12 9  4  o 495.508 22.875 52.283  4.8002 0.0000  0.0000  52.283  4.8002 ?       ?      495.508 22.875 0.000000       22.87526 
1 1 1 -12 9  5  o 402.140 21.857 34.521  3.7083 34.070  4.9760  35.084  5.5614 398.138 29.727 403.401 32.839 -5.262756      44.29519 
1 1 1 -12 9  6  o 1278.00 20.574 347.453 11.135 335.798 18.415  354.171 13.981 1251.02 34.758 1288.66 25.619 -37.63379      43.17904 
1 1 1 -12 9  7  o 340.306 18.027 24.679  2.5888 22.954  4.0915  25.831  3.3430 326.286 29.945 347.522 22.842 -21.23682      37.66204 
1 1 1 -12 9  8  o 345.684 18.092 25.465  2.6394 24.691  4.2049  25.969  3.3904 338.543 29.628 348.399 23.110 -9.855225      37.57499 
1 1 1 -12 9  9  o 510.185 20.792 55.389  4.4922 55.877  5.9889  54.763  6.7927 510.693 27.796 504.618 31.951 6.074707       42.34948 
1 1 1 -12 9  10 o 223.417 22.719 10.741  2.1197 10.824  2.8009  10.630  3.2426 222.888 30.472 219.630 36.119 3.257996       47.25574 
1 1 1 -12 9  11 o 816.453 17.729 141.684 6.1299 141.908 9.7152  141.535 7.9012 814.760 28.156 815.000 22.892 -0.2393799     36.28844 
1 1 1 -12 9  12 o 429.063 16.691 39.117  3.0328 33.927  4.7100  42.792  3.9638 397.355 28.173 448.329 20.877 -50.97351      35.06508 
1 1 1 -12 9  13 o 622.821 21.884 82.651  5.7722 0.0000  0.0000  82.651  5.7722 ?       ?      622.821 21.884 0.000000       21.88422 
1 1 1 -12 9  14 o 241.121 20.222 12.466  2.0458 13.117  2.6542  11.515  3.2111 246.438 25.816 228.954 34.163 17.48398       42.81996 
1 1 1 -12 9  15 o 268.047 19.459 15.381  2.1939 16.965  2.8078  12.899  3.5153 280.852 23.832 242.117 35.324 38.73462       42.61153 
1 1 1 -12 9  16 o 659.218 18.394 92.555  5.1350 87.862  6.5075  100.300 8.3596 640.988 23.973 683.343 28.887 -42.35541      37.53876 
1 1 1 -12 9  17 o 229.764 18.800 11.329  1.8132 13.048  2.2979  8.4938  2.9517 246.060 22.294 194.648 37.163 51.41109       43.33746 
1 1 1 -12 9  18 o 264.733 12.982 14.895  1.4554 11.762  2.3873  16.749  1.8360 232.891 24.576 280.068 15.541 -47.17793      29.07777 
1 1 1 -12 9  19 o 269.384 12.010 15.421  1.3702 17.109  2.4836  14.683  1.6428 281.963 20.949 262.193 14.856 19.77051       25.68163 
1 1 1 -12 9  20 o 249.563 17.938 13.372  1.8832 15.110  2.4219  10.714  2.9949 264.531 21.813 219.360 33.284 45.17113       39.79467 
1 1 1 -12 9  21 o 233.592 19.146 11.758  1.8774 14.961  2.5842  8.1788  2.7319 262.625 23.483 190.264 35.201 72.36028       42.31516 
1 1 1 -12 9  22 o 353.275 24.318 27.073  3.6160 27.073  3.6160  0.0000  0.0000 353.275 24.318 ?       ?      0.000000       24.31811 
1 1 1 -12 9  23 o 420.048 19.049 37.897  3.3885 38.177  5.0717  37.671  4.5541 416.875 28.906 415.516 26.011 1.358856       38.88642 
1 1 1 -12 9  24 o 289.178 26.167 18.409  3.1698 0.0000  0.0000  18.409  3.1698 ?       ?      289.178 26.167 0.000000       26.16650 
1 1 1 -12 9  25 o 208.922 27.060 9.7311  2.3379 0.0000  0.0000  9.7311  2.3379 ?       ?      208.922 27.060 0.000000       27.05964 
1 1 1 -12 9  26 o 372.660 25.193 30.591  3.9525 0.0000  0.0000  30.591  3.9525 ?       ?      372.660 25.193 0.000000       25.19251 
1 1 1 -12 9  27 o 534.211 25.189 62.991  5.6986 0.0000  0.0000  62.991  5.6986 ?       ?      534.211 25.189 0.000000       25.18887 
1 1 1 -12 9  28 o 277.679 24.761 17.183  2.8812 0.0000  0.0000  17.183  2.8812 ?       ?      277.679 24.761 0.000000       24.76068 
1 1 1 -12 9  29 f 266.291 23.818 15.770  2.6576 0.0000  0.0000  15.770  2.6576 ?       ?      266.291 23.818 0.000000       23.81796 
1 1 1 -12 10 1  o 773.902 18.913 127.312 6.1985 128.112 10.351  126.864 7.7398 773.660 31.592 771.693 23.683 1.967163       39.48337 
1 1 1 -12 10 2  o 602.438 22.358 77.264  5.7041 69.965  7.7205  86.038  8.4642 570.783 32.070 634.042 31.523 -63.25861      44.96829 
1 1 1 -12 10 3  o 404.264 18.495 34.734  3.1663 27.497  5.1735  39.068  4.0038 356.414 34.716 427.837 22.174 -71.42325      41.19360 
1 1 1 -12 10 4  o 480.210 22.801 49.106  4.6370 0.0000  0.0000  49.106  4.6370 ?       ?      480.210 22.801 0.000000       22.80121 
1 1 1 -12 10 5  o 269.068 23.314 15.535  2.6303 16.286  3.5178  14.583  3.9612 274.228 30.825 257.913 37.354 16.31488       48.43068 
1 1 1 -12 10 6  o 333.041 22.057 23.715  3.0933 26.563  4.1225  20.047  4.6793 351.580 27.918 303.193 37.226 48.38766       46.53103 
1 1 1 -12 10 7  o 340.017 18.273 24.643  2.6215 29.348  4.2350  21.720  3.3379 369.764 27.236 318.194 24.971 51.57007       36.95112 
1 1 1 -12 10 8  o 360.697 17.722 27.648  2.7071 26.962  4.3419  28.084  3.4624 353.931 29.230 362.422 22.673 -8.490723      36.99247 
1 1 1 -12 10 9  o 512.302 17.085 55.763  3.7068 55.543  5.8558  55.910  4.7883 509.246 27.251 512.397 22.066 -3.150452      35.06505 
1 1 1 -12 10 10 o 651.262 20.527 90.262  5.6613 90.063  7.4980  90.527  8.6343 649.300 27.268 650.046 31.364 -0.7461548     41.56063 
1 1 1 -12 10 11 o 638.047 17.078 86.511  4.6145 83.248  7.2788  88.705  5.9669 624.116 27.539 645.354 21.833 -21.23828      35.14339 
1 1 1 -12 10 12 o 961.612 18.079 196.617 7.3624 186.002 11.654  203.666 9.4975 932.073 29.525 977.460 22.944 -45.38660      37.39218 
1 1 1 -12 10 13 o 1310.38 24.023 366.402 13.331 360.791 17.752  373.658 20.188 1296.26 32.337 1316.87 36.199 -20.60645      48.53972 
1 1 1 -12 10 14 o 199.888 23.981 8.6499  1.9895 0.0000  0.0000  8.6499  1.9895 ?       ?      199.888 23.981 0.000000       23.98142 
1 1 1 -12 10 15 o 419.800 18.125 37.513  3.2224 30.653  4.0146  49.937  5.4028 377.735 25.241 482.204 26.560 -104.4689      36.64083 
1 1 1 -12 10 16 o 630.421 23.237 84.972  6.2039 84.972  6.2039  0.0000  0.0000 630.421 23.237 ?       ?      0.000000       23.23741 
1 1 1 -12 10 17 o 529.970 17.172 59.830  3.8541 55.053  4.8478  68.036  6.3539 507.272 22.566 562.781 26.660 -55.50943      34.92809 
1 1 1 -12 10 18 o 256.802 13.029 14.054  1.4123 12.618  2.3620  14.853  1.7620 241.510 23.387 263.624 15.856 -22.11353      28.25539 
1 1 1 -12 10 19 o 262.920 11.968 14.691  1.3326 14.606  2.4179  14.728  1.5970 260.093 22.163 262.647 14.413 -2.553833      26.43768 
1 1 1 -12 10 20 o 356.594 16.889 27.144  2.5505 28.494  3.3052  25.156  4.0100 363.829 21.547 339.792 28.120 24.03751       35.42598 
1 1 1 -12 10 21 o 263.691 18.169 14.943  2.0166 15.890  2.7818  13.893  2.9275 270.367 24.564 251.685 27.938 18.68246       37.20053 
1 1 1 -12 10 22 o 105.776 25.059 2.5154  1.1053 2.0647  1.5495  2.9824  1.5771 98.485  32.235 114.847 31.487 -16.36174      45.06070 
1 1 1 -12 10 23 o 399.503 18.859 34.290  3.1907 34.497  4.7442  34.119  4.3116 396.153 28.468 395.214 25.904 0.9391174      38.48977 
1 1 1 -12 10 24 o 315.678 20.045 21.592  2.6659 19.039  4.3102  23.173  3.3926 289.163 35.976 325.145 24.826 -35.98276      43.71003 
1 1 1 -12 10 25 o 437.064 25.387 41.947  4.6787 0.0000  0.0000  41.947  4.6787 ?       ?      437.064 25.387 0.000000       25.38723 
1 1 1 -12 10 26 o 295.760 25.570 19.357  3.1712 0.0000  0.0000  19.357  3.1712 ?       ?      295.760 25.570 0.000000       25.57044 
1 1 1 -12 10 27 f 226.542 26.429 11.517  2.4879 0.0000  0.0000  11.517  2.4879 ?       ?      226.542 26.429 0.000000       26.42924 
1 1 1 -12 10 28 o 59.919  25.132 0.1987  1.0754 0.0000  0.0000  0.1987  1.0754 ?       ?      59.919  25.132 0.000000       25.13175 
1 1 1 -12 11 1  o 372.092 18.952 29.509  2.9766 26.795  4.8304  31.171  3.7794 352.169 32.764 381.800 23.488 -29.63110      40.31339 
1 1 1 -12 11 2  o 531.269 18.313 59.986  4.1202 60.719  6.8050  59.561  5.1771 531.962 30.332 528.807 23.118 3.154785       38.13765 
1 1 1 -12 11 3  o 661.908 18.202 93.110  5.1022 81.375  8.2963  100.248 6.4706 615.668 31.929 686.192 22.267 -70.52399      38.92657 
1 1 1 -12 11 4  o 357.324 18.398 27.208  2.7746 24.711  4.3906  28.869  3.5800 338.451 30.976 367.435 23.125 -28.98398      38.65615 
1 1 1 -12 11 5  o 283.310 24.537 17.236  2.9148 0.0000  0.0000  17.236  2.9148 ?       ?      283.310 24.537 0.000000       24.53684 
1 1 1 -12 11 6  o 131.647 31.764 3.8588  1.7505 6.3659  2.4318  1.1621  2.5220 169.178 35.092 100.124 39.785 69.05477       53.05027 
1 1 1 -12 11 7  o 218.347 20.351 10.230  1.8602 11.655  3.0893  9.4193  2.3299 231.040 32.470 208.341 27.045 22.69868       42.25782 
1 1 1 -12 11 8  o 509.599 17.271 55.180  3.7274 56.710  5.9261  54.179  4.7945 514.577 27.292 504.352 22.447 10.22467       35.33720 
1 1 1 -12 11 9  o 560.922 17.062 66.853  4.0529 59.590  6.3885  71.745  5.2431 527.152 28.725 580.518 21.327 -53.36560      35.77646 
1 1 1 -12 11 10 o 492.073 20.106 51.524  4.1899 54.440  5.5814  47.758  6.3420 504.278 26.226 470.942 31.989 33.33588       41.36509 
1 1 1 -12 11 11 o 467.265 16.833 46.397  3.3310 53.091  5.2573  41.907  4.3056 498.788 24.889 442.808 23.040 55.98004       33.91562 
1 1 1 -12 11 12 o 672.336 16.972 96.079  4.8324 102.282 7.6180  91.902  6.2510 691.947 25.997 656.628 22.479 35.31946       34.36811 
1 1 1 -12 11 13 o 872.978 21.228 162.381 7.8481 178.200 10.317  140.660 12.090 912.862 26.688 808.053 35.330 104.8093       44.27704 
1 1 1 -12 11 14 o 766.031 22.044 125.165 7.1511 0.0000  0.0000  125.165 7.1511 ?       ?      766.031 22.044 0.000000       22.04372 
1 1 1 -12 11 15 o 408.008 21.295 35.612  3.6667 0.0000  0.0000  35.612  3.6667 ?       ?      408.008 21.295 0.000000       21.29500 
1 1 1 -12 11 16 o 485.521 18.561 50.240  3.8164 50.207  4.8031  50.297  6.2855 484.435 23.412 482.088 30.951 2.347412       38.80839 
1 1 1 -12 11 17 o 812.133 18.304 140.658 6.2954 135.039 8.1939  148.753 9.8354 793.568 24.382 831.263 27.939 -37.69476      37.08158 
1 1 1 -12 11 18 o 638.288 15.323 86.751  4.1419 90.800  6.0436  83.166  5.6875 651.115 21.918 623.260 21.548 27.85504       30.73619 
1 1 1 -12 11 19 o 328.349 11.893 22.915  1.6538 18.939  2.9514  24.735  1.9967 295.942 23.750 340.912 13.830 -44.97064      27.48299 
1 1 1 -12 11 20 o 469.834 16.914 47.133  3.3654 49.252  4.3964  44.134  5.2303 479.005 21.673 450.779 27.530 28.22668       35.03753 
1 1 1 -12 11 21 o 107.634 26.133 2.6044  1.1792 3.8968  1.7172  1.4510  1.6222 131.082 31.356 89.546  32.771 41.53614       45.35558 
1 1 1 -12 11 22 o 252.640 18.319 13.748  1.9466 13.686  2.6700  13.819  2.8441 250.079 25.571 250.767 27.218 -0.6880646     37.34568 
1 1 1 -12 11 23 f 417.644 18.569 37.481  3.2842 34.775  4.7831  39.894  4.5174 397.411 28.611 427.659 25.052 -30.24774      38.02939 
1 1 1 -12 11 24 o 132.404 26.059 3.9591  1.4091 3.9525  2.8245  3.9612  1.6259 131.712 43.541 131.452 29.884 0.2598267      52.81009 
1 1 1 -12 11 25 o 348.379 25.210 26.699  3.6942 0.0000  0.0000  26.699  3.6942 ?       ?      348.379 25.210 0.000000       25.20999 
1 1 1 -12 11 26 o 358.740 25.047 28.408  3.7813 0.0000  0.0000  28.408  3.7813 ?       ?      358.740 25.047 0.000000       25.04653 
1 1 1 -12 11 27 o 369.988 24.550 30.334  3.8248 0.0000  0.0000  30.334  3.8248 ?       ?      369.988 24.550 0.000000       24.54970 
1 1 1 -12 11 28 o 235.589 24.767 12.414  2.4340 0.0000  0.0000  12.414  2.4340 ?       ?      235.589 24.767 0.000000       24.76697 
1 1 1 -12 12 1  o 334.012 19.205 23.800  2.7051 22.671  4.3928  24.490  3.4334 323.701 32.483 338.118 24.136 -14.41669      40.46842 
1 1 1 -12 12 2  o 524.534 18.265 58.479  4.0573 64.526  6.6697  54.926  5.1119 548.724 28.802 507.690 23.776 41.03369       37.34820 
1 1 1 -12 12 3  o 379.064 22.011 30.693  3.5183 31.114  4.7066  30.160  5.2966 380.366 29.448 373.527 33.852 6.838593       44.86805 
1 1 1 -12 12 4  o 427.611 17.844 38.858  3.2314 38.267  5.2236  39.224  4.1129 422.054 29.409 428.549 22.743 -6.495331      37.17748 
1 1 1 -12 12 5  o 366.245 23.105 28.687  3.5653 0.0000  0.0000  28.687  3.5653 ?       ?      366.245 23.105 0.000000       23.10506 
1 1 1 -12 12 6  o 106.996 33.325 2.4401  1.6721 0.8371  2.2887  4.2754  2.4489 93.094  37.587 139.093 39.646 -45.99909      54.63135 
1 1 1 -12 12 7  o 352.976 21.672 26.625  3.2239 25.368  4.2805  28.273  4.9006 343.105 29.754 361.814 32.324 -18.70880      43.93314 
1 1 1 -12 12 8  o 425.036 17.267 38.389  3.1080 38.558  4.9406  38.278  3.9982 423.918 27.672 423.332 22.382 0.5854492      35.59049 
1 1 1 -12 12 9  o 280.210 17.892 16.758  2.1121 17.519  3.3861  16.272  2.7022 284.868 28.449 275.327 23.397 9.541046       36.83395 
1 1 1 -12 12 10 o 470.162 20.266 47.047  4.0351 53.339  5.3878  39.011  6.0892 499.221 25.570 424.833 34.133 74.38770       42.64899 
1 1 1 -12 12 11 o 232.322 18.405 11.550  1.7960 12.076  2.9004  11.223  2.2872 235.667 29.723 228.130 24.036 7.537598       38.22509 
1 1 1 -12 12 12 o 570.570 16.643 69.193  4.0215 72.425  6.3049  66.976  5.2216 582.260 25.569 560.571 21.995 21.68890       33.72796 
1 1 1 -12 12 13 o 532.332 19.497 60.336  4.3955 63.251  5.7017  56.065  6.9007 544.129 24.744 509.784 32.129 34.34473       40.55238 
1 1 1 -12 12 14 o 293.552 16.026 18.375  1.9848 13.959  2.9868  21.868  2.6561 253.629 28.290 319.780 19.709 -66.15039      34.47850 
1 1 1 -12 12 15 o 465.691 21.010 46.280  4.1435 0.0000  0.0000  46.280  4.1435 ?       ?      465.691 21.010 0.000000       21.01019 
1 1 1 -12 12 16 o 246.940 22.542 13.147  2.3314 0.0000  0.0000  13.147  2.3314 ?       ?      246.940 22.542 0.000000       22.54233 
1 1 1 -12 12 17 o 392.203 14.609 32.727  2.4265 28.060  3.7208  36.180  3.2007 360.821 24.495 411.812 18.353 -50.99124      30.60771 
1 1 1 -12 12 18 o 356.141 17.790 27.069  2.6832 28.285  3.3157  24.762  4.5674 362.739 21.683 336.136 32.491 26.60294       39.06150 
1 1 1 -12 12 19 o 360.222 14.985 27.646  2.2860 31.582  3.2899  23.971  3.1789 383.502 20.329 333.375 22.651 50.12665       30.43572 
1 1 1 -12 12 20 o 247.800 13.350 13.109  1.3958 13.049  2.4434  13.139  1.7006 245.054 23.846 247.582 16.311 -2.527542      28.89070 
1 1 1 -12 12 21 o 215.121 19.239 9.9948  1.7342 7.4990  2.3736  12.853  2.5400 182.765 31.823 242.652 25.080 -59.88715      40.51788 
1 1 1 -12 12 22 o 303.130 18.295 19.772  2.3375 16.075  3.2073  23.960  3.4139 270.070 28.472 331.809 24.468 -61.73837      37.54097 
1 1 1 -12 12 23 o 229.214 20.478 11.419  1.9669 9.7932  2.9611  12.703  2.6312 207.024 35.024 239.920 26.330 -32.89612      43.81699 
1 1 1 -12 12 24 o 357.749 19.750 27.719  2.9806 28.545  4.8145  27.206  3.7954 356.596 32.229 351.734 25.657 4.861969       41.19476 
1 1 1 -12 12 25 o 286.381 25.601 18.118  3.0721 0.0000  0.0000  18.118  3.0721 ?       ?      286.381 25.601 0.000000       25.60051 
1 1 1 -12 12 26 o 179.734 29.448 7.3690  2.1638 0.0000  0.0000  7.3690  2.1638 ?       ?      179.734 29.448 0.000000       29.44767 
1 1 1 -12 12 27 o 217.734 25.719 10.642  2.3257 0.0000  0.0000  10.642  2.3257 ?       ?      217.734 25.719 0.000000       25.71898 
1 1 1 -12 12 28 o 294.120 24.896 19.306  3.0719 0.0000  0.0000  19.306  3.0719 ?       ?      294.120 24.896 0.000000       24.89614 
1 1 1 -12 13 1  o 552.501 18.173 64.890  4.2520 65.424  6.9836  64.575  5.3600 552.131 29.979 550.516 22.991 1.614990       37.78015 
1 1 1 -12 13 2  o 164.545 24.410 5.8958  1.6494 4.3598  2.5922  6.9407  2.1380 140.705 40.997 177.869 29.412 -37.16451      50.45612 
1 1 1 -12 13 3  o 1045.05 23.544 232.743 10.420 224.573 14.234  242.179 15.295 1023.45 32.840 1062.34 33.998 -38.88995      47.26868 
1 1 1 -12 13 4  o 317.588 18.844 21.520  2.5231 19.034  4.1301  23.000  3.1870 296.073 33.531 327.761 23.109 -31.68832      40.72233 
1 1 1 -12 13 5  o 370.461 18.146 29.172  2.8468 28.170  4.6479  29.774  3.6013 361.506 30.648 373.150 22.900 -11.64407      38.25896 
1 1 1 -12 13 6  o 156.300 30.819 5.4089  1.9675 0.0000  0.0000  5.4089  1.9675 ?       ?      156.300 30.819 0.000000       30.81928 
1 1 1 -12 13 7  o 424.018 20.772 38.267  3.7299 37.499  4.9758  39.253  5.6354 417.894 28.282 426.927 31.389 -9.032898      42.25154 
1 1 1 -12 13 8  o 287.007 18.000 17.579  2.1768 18.170  3.5231  17.215  2.7684 290.030 29.076 283.255 23.284 6.775482       37.24987 
1 1 1 -12 13 9  o 1150.71 19.234 281.677 9.3732 275.348 15.217  285.546 11.898 1133.23 31.707 1157.00 24.284 -23.77100      39.93800 
1 1 1 -12 13 10 o 178.180 25.014 6.9059  1.8355 8.4154  2.5296  5.2274  2.6675 195.716 31.596 152.807 40.549 42.90900       51.40590 
1 1 1 -12 13 11 o 642.092 16.811 87.630  4.5711 85.160  7.1808  89.313  5.9272 631.123 26.867 647.430 21.618 -16.30640      34.48415 
1 1 1 -12 13 12 f 407.689 16.586 35.332  2.8635 39.502  4.4896  32.472  3.7180 429.351 24.797 389.543 22.635 39.80804       33.57458 
1 1 1 -12 13 13 o 137.122 34.835 4.2096  2.0269 0.0000  0.0000  4.2096  2.0269 ?       ?      137.122 34.835 0.000000       34.83546 
1 1 1 -12 13 14 o 426.986 15.600 38.763  2.8208 36.894  4.2514  40.233  3.7702 414.664 24.316 434.362 20.496 -19.69879      31.80191 
1 1 1 -12 13 15 o 440.385 15.091 41.241  2.8145 34.061  4.1253  47.494  3.8497 398.087 24.590 471.959 19.261 -73.87140      31.23579 
1 1 1 -12 13 16 o 202.948 16.426 8.8271  1.3996 8.3874  2.4847  9.0314  1.6940 194.772 31.175 204.757 19.782 -9.985291      36.92120 
1 1 1 -12 13 17 o 247.785 20.818 13.222  2.1643 0.0000  0.0000  13.222  2.1643 ?       ?      247.785 20.818 0.000000       20.81782 
1 1 1 -12 13 18 f 435.087 15.303 40.327  2.8196 0.0000  0.0000  40.327  2.8196 ?       ?      435.087 15.303 0.000000       15.30268 
1 1 1 -12 13 19 o 356.168 12.196 26.975  1.8395 28.699  3.3875  26.254  2.1907 364.997 22.018 351.035 14.736 13.96231       26.49426 
1 1 1 -12 13 20 o 251.965 19.978 13.692  2.1143 16.049  2.7612  10.351  3.2871 271.813 24.242 213.662 37.706 58.15065       44.82675 
1 1 1 -12 13 21 o 216.246 28.166 10.327  2.5181 10.327  2.5181  0.0000  0.0000 216.246 28.166 ?       ?      0.000000       28.16579 
1 1 1 -12 13 22 o 385.527 25.422 32.410  4.1272 32.410  4.1272  0.0000  0.0000 385.527 25.422 ?       ?      0.000000       25.42170 
1 1 1 -12 13 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 13 24 o 293.452 20.407 18.715  2.5202 19.359  4.1737  18.345  3.1617 291.816 34.437 288.162 26.194 3.653687       43.26704 
1 1 1 -12 13 25 o 389.686 25.134 33.428  4.1256 0.0000  0.0000  33.428  4.1256 ?       ?      389.686 25.134 0.000000       25.13357 
1 1 1 -12 13 26 o 107.057 30.991 2.6463  1.4856 0.0000  0.0000  2.6463  1.4856 ?       ?      107.057 30.991 0.000000       30.99140 
1 1 1 -12 13 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 13 28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 14 1  o 595.635 18.172 75.431  4.5839 80.264  7.5159  72.569  5.7843 612.492 28.976 583.440 23.410 29.05133       37.25108 
1 1 1 -12 14 2  o 219.571 20.784 10.352  1.9096 9.9593  3.0225  10.613  2.4636 212.682 34.759 221.342 26.830 -8.659775      43.90942 
1 1 1 -12 14 3  o 530.620 21.359 59.946  4.7997 59.387  6.5054  60.613  7.1106 526.084 29.316 530.896 31.772 -4.811279      43.23098 
1 1 1 -12 14 4  o 120.419 29.090 3.2248  1.4669 2.9881  2.3270  3.3808  1.8896 120.125 39.512 123.731 34.672 -3.605881      52.56740 
1 1 1 -12 14 5  o 577.311 17.596 70.836  4.3019 69.335  6.9539  71.767  5.4753 568.637 28.973 580.441 22.274 -11.80444      36.54568 
1 1 1 -12 14 6  o 426.032 22.420 38.773  4.0308 0.0000  0.0000  38.773  4.0308 ?       ?      426.032 22.420 0.000000       22.41986 
1 1 1 -12 14 7  o 483.304 17.205 49.641  3.5215 47.933  5.6535  50.724  4.5013 472.608 28.378 488.013 21.780 -15.40439      35.77311 
1 1 1 -12 14 8  o 219.201 23.634 10.362  2.1592 8.7822  2.8705  12.421  3.2770 199.259 35.309 238.315 33.386 -39.05534      48.59392 
1 1 1 -12 14 9  o 406.813 17.017 35.175  2.9317 37.745  4.6902  33.527  3.7559 419.475 26.539 395.990 22.490 23.48499       34.78664 
1 1 1 -12 14 10 o 198.755 20.371 8.4978  1.6904 9.6732  2.7085  7.7479  2.1635 210.135 31.399 188.317 27.979 21.81805       42.05589 
1 1 1 -12 14 11 o 387.400 20.013 32.041  3.2721 28.068  4.3209  37.383  5.0100 360.942 28.500 416.843 28.553 -55.90164      40.34211 
1 1 1 -12 14 12 o 472.207 16.297 47.403  3.2590 48.965  5.0874  46.316  4.2442 477.955 25.223 466.076 21.503 11.87985       33.14489 
1 1 1 -12 14 13 o 249.395 33.115 13.626  3.4110 0.0000  0.0000  13.626  3.4110 ?       ?      249.395 33.115 0.000000       33.11528 
1 1 1 -12 14 14 o 658.150 15.857 92.133  4.4198 89.788  6.7503  93.894  5.8475 647.674 24.611 663.331 20.816 -15.65723      32.23331 
1 1 1 -12 14 15 o 512.784 15.318 55.938  3.3264 52.290  4.9636  58.912  4.4816 494.178 23.718 525.350 20.144 -31.17224      31.11763 
1 1 1 -12 14 16 o 571.910 13.424 69.535  3.2514 69.223  5.5795  69.695  4.0009 568.389 23.180 571.984 16.517 -3.594849      28.46250 
1 1 1 -12 14 17 o 567.960 12.910 68.584  3.1051 75.614  5.4989  65.294  3.7623 594.099 21.856 553.552 16.049 40.54675       27.11572 
1 1 1 -12 14 18 o 331.665 17.501 23.550  2.4494 0.0000  0.0000  23.550  2.4494 ?       ?      331.665 17.501 0.000000       17.50076 
1 1 1 -12 14 19 o 392.427 20.306 33.092  3.3631 0.0000  0.0000  33.092  3.3631 ?       ?      392.427 20.306 0.000000       20.30611 
1 1 1 -12 14 20 o 341.194 14.356 24.814  2.0744 0.0000  0.0000  24.814  2.0744 ?       ?      341.194 14.356 0.000000       14.35632 
1 1 1 -12 14 21 o 240.090 28.755 12.731  2.8655 0.0000  0.0000  12.731  2.8655 ?       ?      240.090 28.755 0.000000       28.75456 
1 1 1 -12 14 22 o 297.405 18.818 19.081  2.3578 16.595  3.3526  21.513  3.3167 273.616 29.394 313.650 25.182 -40.03439      38.70586 
1 1 1 -12 14 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 14 24 o 544.795 30.772 66.209  7.0706 66.209  7.0706  0.0000  0.0000 544.795 30.772 ?       ?      0.000000       30.77230 
1 1 1 -12 14 25 o 284.265 41.452 19.101  4.8433 19.101  4.8433  0.0000  0.0000 284.265 41.452 ?       ?      0.000000       41.45177 
1 1 1 -12 14 26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 14 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 14 28 o 192.790 29.299 8.5480  2.3168 0.0000  0.0000  8.5480  2.3168 ?       ?      192.790 29.299 0.000000       29.29857 
1 1 1 -12 15 1  o 259.098 20.069 14.374  2.1849 11.493  3.4331  16.336  2.8326 228.235 36.768 275.602 24.525 -47.36734      44.19674 
1 1 1 -12 15 2  o 212.767 21.370 9.7368  1.8995 3.6955  3.1432  13.212  2.3841 135.054 45.948 247.921 22.968 -112.8673      51.36866 
1 1 1 -12 15 3  o 143.639 27.234 4.5521  1.5960 1.5696  2.6289  6.2932  2.0086 105.843 41.046 169.182 29.082 -63.33857      50.30429 
1 1 1 -12 15 4  o 391.771 21.498 32.784  3.5532 31.821  4.7929  33.959  5.2944 384.443 29.668 396.749 31.778 -12.30594      43.47434 
1 1 1 -12 15 5  o 820.208 17.979 143.028 6.2449 129.463 10.088  151.455 7.9515 777.358 30.645 843.116 22.270 -65.75781      37.88187 
1 1 1 -12 15 6  o 596.593 17.230 75.648  4.3531 68.277  6.9629  80.378  5.5774 564.066 29.249 614.329 21.438 -50.26263      36.26425 
1 1 1 -12 15 7  o 942.430 23.264 189.377 9.2851 0.0000  0.0000  189.377 9.2851 ?       ?      942.430 23.264 0.000000       23.26439 
1 1 1 -12 15 8  o 269.827 22.237 15.620  2.5184 13.813  3.3695  17.906  3.7906 251.707 32.360 287.236 31.690 -35.52898      45.29229 
1 1 1 -12 15 9  o 111.104 30.346 2.7312  1.4682 1.3016  2.0066  4.3782  2.1538 93.926  36.010 139.952 36.102 -46.02628      50.99072 
1 1 1 -12 15 10 o 253.565 17.837 13.742  1.9032 9.2236  2.9777  16.863  2.4747 204.045 35.763 280.561 20.980 -76.51514      41.46246 
1 1 1 -12 15 11 o 332.233 19.981 23.595  2.7982 20.787  3.6764  27.461  4.3140 310.234 28.294 356.804 28.796 -46.56992      40.37005 
1 1 1 -12 15 12 o 708.385 16.626 106.727 4.9877 107.364 7.8733  106.299 6.4461 708.169 26.253 705.906 21.563 2.262756       33.97310 
1 1 1 -12 15 13 o 425.403 30.796 39.144  5.5105 0.0000  0.0000  39.144  5.5105 ?       ?      425.403 30.796 0.000000       30.79601 
1 1 1 -12 15 14 o 268.461 16.281 15.394  1.8423 14.306  2.7607  16.267  2.4737 257.071 25.703 275.160 21.396 -18.08823      33.44318 
1 1 1 -12 15 15 o 317.012 14.627 21.376  1.9637 24.018  3.4739  20.135  2.3804 333.755 24.754 306.731 18.411 27.02408       30.85011 
1 1 1 -12 15 16 o 983.339 14.526 205.760 6.0491 188.979 10.692  213.661 7.3362 936.779 26.951 1001.01 17.306 -64.23157      32.02841 
1 1 1 -12 15 17 o 442.831 12.688 41.696  2.3795 44.157  4.2419  40.566  2.8744 453.810 22.072 436.335 15.555 17.47470       27.00252 
1 1 1 -12 15 18 o 628.807 12.509 84.095  3.3311 83.035  5.9763  84.572  4.0122 621.694 22.699 629.971 15.039 -8.277100      27.22921 
1 1 1 -12 15 19 o 563.624 12.275 67.578  2.9300 69.103  5.3594  66.927  3.4993 566.939 22.322 560.333 14.746 6.605835       26.75315 
1 1 1 -12 15 20 o 314.936 15.650 21.174  2.0873 23.909  3.2738  19.301  2.7095 332.208 23.420 298.854 21.553 33.35327       31.82821 
1 1 1 -12 15 21 o 482.764 14.895 49.766  3.0453 0.0000  0.0000  49.766  3.0453 ?       ?      482.764 14.895 0.000000       14.89530 
1 1 1 -12 15 22 o 150.992 20.280 4.9988  1.2640 0.0000  0.0000  4.9988  1.2640 ?       ?      150.992 20.280 0.000000       20.27955 
1 1 1 -12 15 23 o 122.964 32.403 3.4941  1.7110 0.0000  0.0000  3.4941  1.7110 ?       ?      122.964 32.403 0.000000       32.40261 
1 1 1 -12 15 24 o 115.562 31.309 3.0810  1.5703 0.0000  0.0000  3.0810  1.5703 ?       ?      115.562 31.309 0.000000       31.30929 
1 1 1 -12 15 25 o 102.668 30.752 2.4023  1.4421 0.0000  0.0000  2.4023  1.4421 ?       ?      102.668 30.752 0.000000       30.75234 
1 1 1 -12 15 26 o 180.474 26.958 7.3865  1.9972 0.0000  0.0000  7.3865  1.9972 ?       ?      180.474 26.958 0.000000       26.95774 
1 1 1 -12 15 27 o 126.125 35.486 3.8158  1.9751 0.0000  0.0000  3.8158  1.9751 ?       ?      126.125 35.486 0.000000       35.48563 
1 1 1 -12 16 1  o 618.774 18.100 81.448  4.7430 86.676  7.8095  78.392  5.9702 636.043 28.993 606.149 23.258 29.89380       37.16885 
1 1 1 -12 16 2  o 305.221 18.880 19.896  2.4284 14.183  3.9332  23.416  3.0871 253.762 37.749 330.714 22.170 -76.95212      43.77821 
1 1 1 -12 16 3  o 782.171 18.194 130.114 6.0265 129.884 9.9094  130.249 7.5919 778.536 30.055 781.567 22.937 -3.031128      37.80803 
1 1 1 -12 16 4  o 551.248 21.355 64.730  4.9852 67.770  6.7453  61.072  7.4004 562.051 28.431 532.268 32.993 29.78320       43.55343 
1 1 1 -12 16 5  o 735.773 17.725 115.105 5.5229 121.368 8.9544  111.260 7.0164 753.185 28.073 722.375 22.936 30.80994       36.25118 
1 1 1 -12 16 6  o 347.543 17.662 25.748  2.5910 22.458  4.1350  27.874  3.3247 322.261 30.669 361.027 21.848 -38.76617      37.65517 
1 1 1 -12 16 7  o 704.665 22.253 105.846 6.6409 0.0000  0.0000  105.846 6.6409 ?       ?      704.665 22.253 0.000000       22.25348 
1 1 1 -12 16 8  o 609.233 21.955 79.117  5.6644 0.0000  0.0000  79.117  5.6644 ?       ?      609.233 21.955 0.000000       21.95476 
1 1 1 -12 16 9  o 758.545 27.742 123.180 8.9118 123.180 8.9118  0.0000  0.0000 758.545 27.742 ?       ?      0.000000       27.74231 
1 1 1 -12 16 10 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 16 11 o 494.314 19.463 52.052  4.0743 47.473  5.4105  58.050  6.1922 469.941 27.304 519.552 28.249 -49.61060      39.28766 
1 1 1 -12 16 12 o 290.091 20.225 18.029  2.4691 17.114  3.2321  19.313  3.8264 281.185 27.494 298.089 30.753 -16.90353      41.25101 
1 1 1 -12 16 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 16 14 o 550.868 17.761 64.671  4.1433 62.578  5.3646  67.764  6.5227 540.597 23.433 561.394 27.435 -20.79694      36.08047 
1 1 1 -12 16 15 o 523.538 15.090 58.336  3.3457 51.644  5.1588  63.194  4.3953 489.814 24.953 544.069 19.076 -54.25430      31.40917 
1 1 1 -12 16 16 o 412.590 14.887 36.244  2.6012 37.747  4.1050  35.235  3.3624 418.800 23.237 406.006 19.556 12.79465       30.37037 
1 1 1 -12 16 17 o 458.043 13.906 44.658  2.6974 48.417  4.4208  42.429  3.4046 475.075 21.973 445.668 18.039 29.40707       28.42930 
1 1 1 -12 16 18 o 351.615 13.465 26.319  2.0050 27.426  3.3792  25.718  2.4907 356.555 22.495 347.035 16.948 9.519958       28.16435 
1 1 1 -12 16 19 o 549.163 13.526 64.232  3.1458 74.153  5.3051  58.851  3.9066 587.524 21.322 524.609 17.584 62.91443       27.63755 
1 1 1 -12 16 20 o 171.219 18.409 6.3512  1.3139 0.0000  0.0000  6.3512  1.3139 ?       ?      171.219 18.409 0.000000       18.40913 
1 1 1 -12 16 21 o 250.982 19.454 13.620  2.0516 13.135  2.8571  14.135  2.9478 243.711 28.204 253.005 27.980 -9.294617      39.72820 
1 1 1 -12 16 22 o 260.341 15.147 14.555  1.6627 15.031  3.0985  14.363  1.9705 260.048 28.609 257.822 18.163 2.225861       33.88767 
1 1 1 -12 16 23 o 275.900 16.323 16.400  1.8987 22.172  3.8554  14.552  2.1816 315.379 29.198 258.681 20.071 56.69876       35.43101 
1 1 1 -12 16 24 o 429.781 19.582 39.965  3.5641 47.360  5.7480  35.347  4.5428 460.763 29.614 399.563 27.005 61.20004       40.07865 
1 1 1 -12 16 25 o 411.963 20.013 36.871  3.4915 47.685  6.1037  31.612  4.2567 459.019 31.591 376.837 26.849 82.18234       41.45940 
1 1 1 -12 16 26 o 147.400 32.627 5.1282  1.9828 0.0000  0.0000  5.1282  1.9828 ?       ?      147.400 32.627 0.000000       32.62693 
1 1 1 -12 16 27 o 174.594 32.111 7.1488  2.2868 0.0000  0.0000  7.1488  2.2868 ?       ?      174.594 32.111 0.000000       32.11146 
1 1 1 -12 17 1  o 703.990 18.153 105.466 5.4121 96.652  8.8980  110.642 6.8183 670.636 31.330 720.131 22.357 -49.49408      38.48943 
1 1 1 -12 17 2  o 382.186 18.389 31.082  2.9763 27.672  4.9104  33.062  3.7420 357.264 32.822 393.050 22.576 -35.78586      39.83682 
1 1 1 -12 17 3  o 288.033 19.169 17.736  2.3249 19.262  3.7884  16.814  2.9446 298.158 30.430 279.436 25.153 18.72275       39.47950 
1 1 1 -12 17 4  o 410.389 21.219 35.982  3.6752 35.710  4.9196  36.325  5.5285 407.338 28.702 410.025 32.095 -2.687469      43.05702 
1 1 1 -12 17 5  o 532.737 17.283 60.347  3.8993 59.411  6.2612  60.940  4.9837 526.037 28.209 534.654 22.011 -8.617737      35.78012 
1 1 1 -12 17 6  o 525.585 20.573 58.843  4.5791 61.696  6.1587  55.315  6.8475 536.316 27.205 506.464 32.092 29.85208       42.07137 
1 1 1 -12 17 7  o 449.091 20.439 42.962  3.8872 34.862  5.1858  53.351  5.8728 401.915 30.700 498.406 27.937 -96.49039      41.50838 
1 1 1 -12 17 8  o 393.289 31.886 33.452  5.2651 0.0000  0.0000  33.452  5.2651 ?       ?      393.289 31.886 0.000000       31.88615 
1 1 1 -12 17 9  o 207.517 37.852 9.5913  3.2039 0.0000  0.0000  9.5913  3.2039 ?       ?      207.517 37.852 0.000000       37.85165 
1 1 1 -12 17 10 o 325.443 27.380 22.853  3.7386 22.853  3.7386  0.0000  0.0000 325.443 27.380 ?       ?      0.000000       27.38039 
1 1 1 -12 17 11 o 815.626 27.234 142.660 9.4069 142.660 9.4069  0.0000  0.0000 815.626 27.234 ?       ?      0.000000       27.23416 
1 1 1 -12 17 12 o 431.012 18.599 39.588  3.3948 34.644  4.4327  46.602  5.2795 401.116 26.239 465.275 26.909 -64.15903      37.58463 
1 1 1 -12 17 13 o 597.715 28.304 76.867  7.1645 0.0000  0.0000  76.867  7.1645 ?       ?      597.715 28.304 0.000000       28.30392 
1 1 1 -12 17 14 f 425.275 17.617 38.558  3.1729 34.748  4.0710  44.452  5.0641 401.858 24.032 453.964 26.456 -52.10553      35.74134 
1 1 1 -12 17 15 o 301.937 16.510 19.487  2.1031 20.429  3.3178  18.854  2.7192 307.150 25.744 295.929 21.852 11.22070       33.76773 
1 1 1 -12 17 16 o 117.916 24.754 3.1001  1.1968 4.5348  2.3144  2.5764  1.3982 141.251 37.901 107.420 29.728 33.83118       48.16901 
1 1 1 -12 17 17 o 134.699 22.009 3.9919  1.2121 4.5455  2.1018  3.7160  1.4837 141.325 35.239 128.648 28.025 12.67668       45.02471 
1 1 1 -12 17 18 o 169.564 16.111 6.1908  1.1430 4.9017  1.9958  6.8201  1.3944 146.976 32.886 177.535 18.834 -30.55841      37.89745 
1 1 1 -12 17 19 o 837.362 14.525 149.518 5.1509 152.023 8.6596  148.147 6.4076 839.027 24.371 831.860 18.189 7.166809       30.41043 
1 1 1 -12 17 20 o 234.948 16.990 11.874  1.6790 0.0000  0.0000  11.874  1.6790 ?       ?      234.948 16.990 0.000000       16.98960 
1 1 1 -12 17 21 o 628.949 14.071 84.481  3.7480 95.376  6.4719  78.983  4.5974 663.547 23.031 606.547 17.898 57.00031       29.16787 
1 1 1 -12 17 22 o 323.324 14.771 22.378  2.0225 25.696  3.7174  20.982  2.4105 341.794 25.874 311.657 18.345 30.13760       31.71733 
1 1 1 -12 17 23 o 273.489 16.033 16.112  1.8488 18.417  3.9420  15.463  2.0934 284.849 33.307 267.103 18.623 17.74582       38.16013 
1 1 1 -12 17 24 o 229.604 17.833 11.438  1.7204 17.802  3.9290  9.9280  1.9135 278.944 33.961 212.626 21.548 66.31836       40.22066 
1 1 1 -12 17 25 o 204.556 24.220 9.3277  2.0574 13.224  4.4288  8.2555  2.3232 230.203 47.018 189.847 29.885 40.35664       55.71181 
1 1 1 -12 17 26 o 65.507  29.267 -0.4831 1.6590 0.0000  0.0000  -0.4831 1.6590 ?       ?      65.507  29.267 0.000000       29.26722 
1 1 1 -12 17 27 o 318.006 25.621 22.663  3.4212 0.0000  0.0000  22.663  3.4212 ?       ?      318.006 25.621 0.000000       25.62123 
1 1 1 -12 18 1  o 429.312 21.891 39.434  3.9667 40.057  5.3847  38.694  5.8656 430.851 29.693 422.483 33.047 8.367432       44.42706 
1 1 1 -12 18 2  o 337.424 18.497 24.311  2.6331 22.634  4.2483  25.356  3.3552 322.965 31.460 343.826 23.178 -20.86066      39.07659 
1 1 1 -12 18 3  o 386.624 21.308 31.968  3.4753 23.769  4.6849  41.999  5.1822 330.469 33.958 441.885 27.835 -111.4159      43.90822 
1 1 1 -12 18 4  f 317.867 21.946 21.652  2.9362 22.397  4.0856  20.855  4.2225 321.613 30.356 309.692 32.690 11.92117       44.61066 
1 1 1 -12 18 5  o 645.787 20.937 88.893  5.7261 91.440  7.7491  85.830  8.4984 653.273 28.010 631.049 31.904 22.22430       42.45480 
1 1 1 -12 18 6  o 416.676 20.978 37.101  3.6899 37.572  4.8857  36.477  5.6296 417.895 27.765 410.493 32.654 7.401672       42.86217 
1 1 1 -12 18 7  o 740.613 20.695 116.917 6.4908 109.914 8.7470  125.498 9.6829 715.862 28.853 764.565 29.905 -48.70276      41.55494 
1 1 1 -12 18 8  f 170.191 27.905 6.3656  1.9415 4.6794  2.5505  8.6888  2.9939 144.621 40.196 197.353 37.186 -52.73157      54.75882 
1 1 1 -12 18 9  o 431.284 30.347 40.177  5.5074 0.0000  0.0000  40.177  5.5074 ?       ?      431.284 30.347 0.000000       30.34676 
1 1 1 -12 18 10 o 403.003 30.198 35.125  5.1164 0.0000  0.0000  35.125  5.1164 ?       ?      403.003 30.198 0.000000       30.19834 
1 1 1 -12 18 11 o 293.635 26.907 18.652  3.3087 18.652  3.3087  0.0000  0.0000 293.635 26.907 ?       ?      0.000000       26.90711 
1 1 1 -12 18 12 o 353.796 24.865 26.959  3.7018 26.959  3.7018  0.0000  0.0000 353.796 24.865 ?       ?      0.000000       24.86488 
1 1 1 -12 18 13 o 223.551 33.163 11.050  3.0444 0.0000  0.0000  11.050  3.0444 ?       ?      223.551 33.163 0.000000       33.16258 
1 1 1 -12 18 14 o 342.264 18.720 25.082  2.7032 25.452  3.5974  24.602  4.0968 343.342 24.911 336.362 29.045 6.979797       38.26447 
1 1 1 -12 18 15 f 92.799  29.110 1.8488  1.2733 3.5340  2.1391  0.9239  1.5847 125.896 37.396 81.675  31.813 44.22156       49.09740 
1 1 1 -12 18 16 o 428.942 14.299 39.181  2.5975 43.240  4.2669  36.791  3.2741 448.191 22.553 414.835 18.637 33.35611       29.25657 
1 1 1 -12 18 17 o 752.366 14.604 120.627 4.6532 122.306 7.6464  119.639 5.8641 753.540 23.961 747.836 18.516 5.703430       30.28164 
1 1 1 -12 18 18 o 245.440 14.590 12.888  1.5097 14.521  2.6146  12.071  1.8491 258.387 24.175 236.736 18.593 21.65126       30.49821 
1 1 1 -12 18 19 o 408.207 13.410 35.507  2.3181 31.484  3.9805  37.572  2.8516 380.732 24.823 419.337 16.058 -38.60535      29.56405 
1 1 1 -12 18 20 o 307.484 16.604 20.296  2.1540 0.0000  0.0000  20.296  2.1540 ?       ?      307.484 16.604 0.000000       16.60361 
1 1 1 -12 18 21 o 245.296 14.650 12.913  1.5149 12.683  2.9338  12.996  1.7690 238.282 29.719 245.497 17.122 -7.214523      34.29888 
1 1 1 -12 18 22 o 163.409 18.151 5.8190  1.2349 9.4182  2.6244  4.7955  1.3995 203.662 31.441 146.758 23.296 56.90367       39.13118 
1 1 1 -12 18 23 o 173.748 24.397 6.7208  1.7457 7.1811  3.0736  6.5016  2.1209 172.491 42.380 168.501 30.860 3.990387       52.42538 
1 1 1 -12 18 24 o 123.736 21.240 3.4190  1.0729 4.2965  3.1636  3.3050  1.1405 135.358 46.096 121.090 23.083 14.26759       51.55249 
1 1 1 -12 18 25 o 259.950 17.860 14.702  1.9543 24.126  4.8924  12.913  2.1317 320.846 36.665 242.303 20.981 78.54272       42.24377 
1 1 1 -12 18 26 o 293.170 22.462 19.022  2.7676 19.315  5.3521  18.916  3.2335 276.409 47.430 289.835 26.642 -13.42627      54.40051 
1 1 1 -12 18 27 o 146.887 35.809 5.2206  2.2073 0.0000  0.0000  5.2206  2.2073 ?       ?      146.887 35.809 0.000000       35.80859 
1 1 1 -12 19 1  o 159.515 40.371 5.7544  2.7296 5.7544  2.7296  0.0000  0.0000 159.515 40.371 ?       ?      0.000000       40.37129 
1 1 1 -12 19 2  o 942.094 22.564 189.583 9.0022 191.415 12.271  187.449 13.248 943.134 30.722 931.866 33.569 11.26807       45.50525 
1 1 1 -12 19 3  o 199.898 26.139 8.6982  2.1598 7.5638  2.8980  10.116  3.2393 183.468 38.525 213.210 37.231 -29.74260      53.57528 
1 1 1 -12 19 4  o 458.481 21.034 44.836  4.0841 48.527  5.5425  40.451  6.0411 474.945 27.676 431.921 33.284 43.02393       43.28720 
1 1 1 -12 19 5  o 244.439 23.789 12.887  2.4314 13.678  3.1899  11.790  3.7560 250.438 30.721 229.871 40.038 20.56714       50.46603 
1 1 1 -12 19 6  o 1213.61 23.519 314.731 12.088 296.061 16.496  336.382 17.764 1171.76 33.242 1248.77 33.590 -77.01013      47.25776 
1 1 1 -12 19 7  o 190.860 26.816 7.9538  2.1077 4.3187  2.7842  12.833  3.2256 140.229 42.892 242.042 32.273 -101.8133      53.67725 
1 1 1 -12 19 8  o 557.793 19.932 66.336  4.7082 65.163  6.3139  67.806  7.0664 551.248 27.046 560.789 29.862 -9.541138      40.28957 
1 1 1 -12 19 9  o 262.609 21.868 14.828  2.4098 13.910  3.1998  16.030  3.6630 252.443 30.553 270.722 32.606 -18.27953      44.68330 
1 1 1 -12 19 10 o 852.615 30.431 156.648 10.988 0.0000  0.0000  156.648 10.988 ?       ?      852.615 30.431 0.000000       30.43102 
1 1 1 -12 19 11 o 183.608 36.647 7.5739  2.7497 0.0000  0.0000  7.5739  2.7497 ?       ?      183.608 36.647 0.000000       36.64670 
1 1 1 -12 19 12 o 415.177 24.352 37.090  4.2629 37.090  4.2629  0.0000  0.0000 415.177 24.352 ?       ?      0.000000       24.35164 
1 1 1 -12 19 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 19 14 o 83.871  29.608 1.3419  1.3104 1.8001  2.2171  1.0959  1.6245 102.242 38.149 84.735  32.421 17.50703       50.06446 
1 1 1 -12 19 15 o 137.375 27.035 4.2101  1.5168 3.3481  2.2795  4.8952  2.0320 123.573 38.976 147.050 33.392 -23.47735      51.32419 
1 1 1 -12 19 16 o 157.238 20.478 5.3852  1.3312 3.3374  2.2999  6.4170  1.6325 123.334 39.177 171.278 23.096 -47.94445      45.47826 
1 1 1 -12 19 17 o 487.956 13.902 50.724  2.8728 50.034  4.7421  51.123  3.6107 482.020 23.231 489.027 17.435 -7.007446      29.04545 
1 1 1 -12 19 18 o 126.682 20.070 3.5255  1.0408 5.1651  1.9767  2.8965  1.2243 150.947 31.920 113.476 26.030 37.47104       41.18804 
1 1 1 -12 19 19 o 253.959 14.425 13.807  1.5450 15.457  2.7507  13.046  1.8673 266.093 24.691 246.078 18.044 20.01506       30.58220 
1 1 1 -12 19 20 o 167.456 16.712 6.0665  1.1693 9.1552  2.4241  5.1300  1.3349 202.432 29.114 152.808 21.198 49.62468       36.01395 
1 1 1 -12 19 21 o 373.319 13.905 29.794  2.1984 33.607  3.9974  28.141  2.6321 392.040 24.195 361.908 17.174 30.13190       29.67065 
1 1 1 -12 19 22 o 173.337 24.321 6.6816  1.7362 10.460  2.7242  4.0971  2.2530 214.922 30.812 132.080 38.145 82.84187       49.03477 
1 1 1 -12 19 23 o 141.215 20.835 4.4150  1.2086 10.128  3.1786  3.4495  1.3067 207.831 37.494 123.115 25.884 84.71651       45.56096 
1 1 1 -12 19 24 f 93.200  29.451 1.9404  1.3010 2.5484  3.1568  1.8160  1.4279 116.015 44.982 91.802  30.971 24.21339       54.61251 
1 1 1 -12 19 25 o 133.053 22.518 3.9870  1.2236 8.6941  3.8275  3.4512  1.2913 183.445 48.521 122.573 25.698 60.87169       54.90654 
1 1 1 -12 19 26 o 146.977 23.243 4.8743  1.3986 1.7313  4.4689  5.2156  1.4726 118.252 50.482 151.984 23.648 -33.73161      55.74634 
1 1 1 -12 20 1  o 304.948 22.994 20.002  2.9477 23.249  4.0759  16.442  4.2679 327.284 29.732 272.462 38.025 54.82227       48.26865 
1 1 1 -12 20 2  o 786.812 29.532 133.234 9.8401 133.234 9.8401  0.0000  0.0000 786.812 29.532 ?       ?      0.000000       29.53157 
1 1 1 -12 20 3  o 300.821 22.286 19.439  2.8189 19.979  3.8615  18.823  4.1246 303.147 30.492 293.273 33.830 9.874146       45.54425 
1 1 1 -12 20 4  o 660.199 20.891 93.021  5.8410 89.611  7.8534  97.241  8.7381 645.742 28.718 671.964 30.706 -26.22272      42.04284 
1 1 1 -12 20 5  o 591.015 20.724 74.535  5.1870 73.209  6.9823  76.168  7.7486 583.815 28.241 593.905 30.915 -10.09027      41.87213 
1 1 1 -12 20 6  o 150.025 30.574 5.0160  1.8766 5.6126  2.5675  4.3318  2.7496 157.626 38.738 140.122 42.576 17.50325       57.56140 
1 1 1 -12 20 7  o 428.366 20.320 39.151  3.6863 38.305  4.8725  40.284  5.6371 421.543 27.443 431.286 31.072 -9.743347      41.45595 
1 1 1 -12 20 8  o 575.070 19.813 70.548  4.8252 65.049  6.4748  77.416  7.2362 549.527 27.914 600.047 28.476 -50.52026      39.87581 
1 1 1 -12 20 9  o 256.867 21.997 14.205  2.3698 12.033  3.1031  17.244  3.6707 233.956 32.171 281.010 31.381 -47.05402      44.94159 
1 1 1 -12 20 10 o 788.371 19.913 132.690 6.6483 121.244 8.9446  146.818 9.9380 750.554 28.141 825.793 28.417 -75.23975      39.99313 
1 1 1 -12 20 11 o 352.974 29.343 27.055  4.3465 0.0000  0.0000  27.055  4.3465 ?       ?      352.974 29.343 0.000000       29.34317 
1 1 1 -12 20 12 o 178.083 35.805 7.1453  2.6066 0.0000  0.0000  7.1453  2.6066 ?       ?      178.083 35.805 0.000000       35.80481 
1 1 1 -12 20 13 o 399.705 21.374 34.311  3.6049 0.0000  0.0000  34.311  3.6049 ?       ?      399.705 21.374 0.000000       21.37410 
1 1 1 -12 20 14 f 195.592 27.361 8.4132  2.2043 8.2509  2.7323  8.7157  3.7304 191.546 34.972 193.786 46.122 -2.238983      57.88153 
1 1 1 -12 20 15 o 318.193 25.647 21.979  3.4267 21.979  3.4267  0.0000  0.0000 318.193 25.647 ?       ?      0.000000       25.64718 
1 1 1 -12 20 16 o 166.495 24.143 6.0923  1.6527 6.8123  2.4302  5.4729  2.2541 173.466 34.297 154.938 35.160 18.52791       49.11689 
1 1 1 -12 20 17 o 323.713 18.528 22.511  2.5294 0.0000  0.0000  22.511  2.5294 ?       ?      323.713 18.528 0.000000       18.52763 
1 1 1 -12 20 18 o 100.390 24.249 2.2641  1.0193 4.5798  2.1441  1.5879  1.1587 141.189 35.806 86.375  27.847 54.81435       45.35980 
1 1 1 -12 20 19 o 197.052 15.981 8.3594  1.3221 11.802  2.4774  6.9887  1.5633 231.721 25.677 178.923 21.033 52.79739       33.19197 
1 1 1 -12 20 20 o 281.674 14.015 16.954  1.6719 18.540  3.1581  16.336  1.9706 290.325 25.960 275.410 16.979 14.91428       31.01936 
1 1 1 -12 20 21 o 207.840 15.573 9.3139  1.3608 11.823  2.6526  8.4179  1.5852 230.194 27.772 196.574 19.291 33.62000       33.81449 
1 1 1 -12 20 22 o 278.250 14.712 16.640  1.7274 13.967  3.3267  17.626  2.0213 247.804 32.482 285.780 16.775 -37.97552      36.55817 
1 1 1 -12 20 23 o 145.965 21.750 4.7345  1.3034 12.761  3.4281  3.3781  1.4093 234.445 35.651 121.154 28.025 113.2915       45.34760 
1 1 1 -12 20 24 o 90.317  21.017 1.8493  0.7888 0.1387  3.1075  1.9671  0.8155 94.499  41.221 93.156  21.153 1.343346       46.33138 
1 1 1 -12 20 25 o 160.651 21.312 5.7481  1.4141 6.3940  3.8163  5.6453  1.5225 156.635 50.542 158.407 23.400 -1.771805      55.69581 
1 1 1 -12 20 26 o 115.242 34.839 3.1587  1.8446 6.1529  4.2745  2.4735  2.0448 153.003 53.516 105.477 37.007 47.52546       65.06470 
1 1 1 -12 21 1  o 252.138 37.054 14.116  3.8385 0.0000  0.0000  14.116  3.8385 ?       ?      252.138 37.054 0.000000       37.05377 
1 1 1 -12 21 2  o 158.994 38.149 5.7243  2.5358 5.7243  2.5358  0.0000  0.0000 158.994 38.149 ?       ?      0.000000       38.14867 
1 1 1 -12 21 3  o 257.493 32.218 14.538  3.4364 14.538  3.4364  0.0000  0.0000 257.493 32.218 ?       ?      0.000000       32.21834 
1 1 1 -12 21 4  o 247.428 23.713 13.223  2.4543 13.380  3.2168  13.004  3.7967 247.106 31.452 241.611 38.390 5.495621       49.62933 
1 1 1 -12 21 5  o 449.656 20.605 43.171  3.9238 40.585  5.2666  46.398  5.8824 433.340 28.864 463.038 30.163 -29.69775      41.74802 
1 1 1 -12 21 6  o 456.550 20.552 44.506  3.9736 45.017  5.3659  43.885  5.9128 456.764 27.874 449.898 31.227 6.866730       41.85796 
1 1 1 -12 21 7  o 467.726 19.965 46.696  3.9546 45.718  5.3206  47.904  5.9113 460.397 27.413 470.534 29.819 -10.13730      40.50504 
1 1 1 -12 21 8  o 298.224 20.980 19.095  2.6327 19.132  3.4783  19.046  4.0285 296.931 27.991 294.940 32.809 1.991760       43.12675 
1 1 1 -12 21 9  o 307.963 20.221 20.344  2.6225 19.286  3.4711  21.751  4.0030 298.087 27.818 316.032 30.281 -17.94516      41.11906 
1 1 1 -12 21 10 o 178.107 23.856 6.9194  1.7542 7.3713  2.3462  6.3467  2.6415 182.095 31.569 167.238 38.142 14.85719       49.51200 
1 1 1 -12 21 11 o 262.852 19.944 14.851  2.2035 15.105  2.8879  14.497  3.4088 263.701 26.207 256.693 32.057 7.007599       41.40600 
1 1 1 -12 21 12 o 181.225 19.887 7.1053  1.5012 7.9774  2.1126  6.2159  2.1336 190.588 26.924 166.727 31.369 23.86090       41.33920 
1 1 1 -12 21 13 o 358.224 21.681 27.612  3.2736 0.0000  0.0000  27.612  3.2736 ?       ?      358.224 21.681 0.000000       21.68121 
1 1 1 -12 21 14 f 208.680 42.805 10.015  3.6559 0.0000  0.0000  10.015  3.6559 ?       ?      208.680 42.805 0.000000       42.80473 
1 1 1 -12 21 15 o 264.454 20.185 15.077  2.2435 18.876  3.0205  10.403  3.3508 294.937 24.402 214.032 38.377 80.90450       45.47825 
1 1 1 -12 21 16 o 303.885 26.302 20.133  3.3515 20.133  3.3515  0.0000  0.0000 303.885 26.302 ?       ?      0.000000       26.30227 
1 1 1 -12 21 17 o 186.911 21.584 7.6124  1.6771 8.2482  2.4184  7.0234  2.3278 192.052 30.773 176.425 32.348 15.62691       44.64749 
1 1 1 -12 21 18 o 486.695 16.316 50.672  3.3628 54.698  4.8552  46.960  4.6621 503.231 22.782 465.326 23.737 37.90509       32.90108 
1 1 1 -12 21 19 o 263.672 14.312 14.896  1.5921 14.215  2.8887  15.194  1.9081 253.644 27.324 265.650 17.050 -12.00606      32.20740 
1 1 1 -12 21 20 o 415.131 13.685 36.835  2.4059 44.579  4.3521  33.426  2.8873 452.433 22.787 394.361 17.288 58.07217       28.60322 
1 1 1 -12 21 21 o 135.218 18.543 4.0141  1.0339 2.8036  2.2431  4.3406  1.1650 113.304 38.814 140.263 20.195 -26.95896      43.75356 
1 1 1 -12 21 22 o 241.923 15.397 12.615  1.5693 14.785  3.1254  11.883  1.8146 256.423 29.308 233.867 18.472 22.55673       34.64322 
1 1 1 -12 21 23 o 192.870 17.600 8.0994  1.4217 10.644  3.4734  7.5872  1.5582 210.572 40.420 185.836 20.120 24.73601       45.15052 
1 1 1 -12 21 24 o 108.265 22.792 2.6674  1.0119 6.4638  3.1140  2.2192  1.0700 160.272 44.368 98.182  25.504 62.09008       51.17593 
1 1 1 -12 21 25 o 144.352 21.662 4.6698  1.2834 5.0039  3.8108  4.6270  1.3630 141.476 50.432 143.083 23.295 -1.607086      55.55209 
1 1 1 -12 21 26 o 149.348 33.195 5.3254  2.0450 7.5663  4.3297  4.6818  2.3201 166.810 53.835 137.972 38.334 28.83836       66.08866 
1 1 1 -12 22 1  o 160.573 41.284 5.8809  2.8229 0.0000  0.0000  5.8809  2.8229 ?       ?      160.573 41.284 0.000000       41.28364 
1 1 1 -12 22 2  o 214.695 37.767 10.336  3.3085 0.0000  0.0000  10.336  3.3085 ?       ?      214.695 37.767 0.000000       37.76719 
1 1 1 -12 22 3  o 142.578 39.110 4.5905  2.4325 4.5905  2.4325  0.0000  0.0000 142.578 39.110 ?       ?      0.000000       39.10972 
1 1 1 -12 22 4  o 462.493 20.690 45.711  4.0523 45.056  5.4484  46.523  6.0621 456.511 28.322 462.940 31.102 -6.429108      42.06503 
1 1 1 -12 22 5  f 460.711 20.674 45.358  4.0336 44.780  5.4063  46.084  6.0580 455.159 28.186 460.701 31.235 -5.541595      42.07230 
1 1 1 -12 22 6  o 859.907 21.199 158.104 7.7199 157.708 10.559  158.559 11.315 855.146 29.157 856.321 31.203 -1.175415      42.70513 
1 1 1 -12 22 7  f 510.932 20.021 55.767  4.3321 53.627  5.8662  58.334  6.4249 498.231 27.915 519.168 29.343 -20.93652      40.49960 
1 1 1 -12 22 8  o 207.830 24.421 9.3914  2.1084 6.2810  2.8021  13.451  3.2011 166.007 40.269 247.488 31.238 -81.48138      50.96529 
1 1 1 -12 22 9  o 157.562 26.569 5.4830  1.7098 3.8128  2.3198  7.4689  2.5297 130.828 38.963 182.635 33.956 -51.80696      51.68321 
1 1 1 -12 22 10 o 188.805 23.271 7.7586  1.8213 8.4814  2.3981  6.7734  2.7997 195.930 29.844 172.408 39.229 23.52203       49.29065 
1 1 1 -12 22 11 o 308.317 19.073 20.392  2.4781 18.365  3.2253  23.313  3.8717 290.753 26.484 327.340 28.204 -36.58707      38.68975 
1 1 1 -12 22 12 o 159.126 22.151 5.5330  1.4522 3.1745  2.0008  8.1587  2.1111 119.714 36.306 192.748 26.569 -73.03444      44.98961 
1 1 1 -12 22 13 o 391.882 15.989 32.758  2.6535 29.223  4.1350  35.232  3.4598 366.798 26.805 405.542 20.145 -38.74396      33.53127 
1 1 1 -12 22 14 o 261.560 36.419 15.322  3.9246 0.0000  0.0000  15.322  3.9246 ?       ?      261.560 36.419 0.000000       36.41916 
1 1 1 -12 22 15 o 198.959 23.513 8.6435  1.9428 0.0000  0.0000  8.6435  1.9428 ?       ?      198.959 23.513 0.000000       23.51280 
1 1 1 -12 22 16 o 308.390 19.612 20.484  2.5481 0.0000  0.0000  20.484  2.5481 ?       ?      308.390 19.612 0.000000       19.61242 
1 1 1 -12 22 17 o 445.443 17.660 42.506  3.3313 38.553  4.4260  47.672  5.0598 421.133 24.928 468.110 25.621 -46.97754      35.74673 
1 1 1 -12 22 18 f 298.602 17.537 19.186  2.2079 16.018  3.3554  21.605  2.9322 268.548 30.017 315.497 22.085 -46.94937      37.26631 
1 1 1 -12 22 19 o 267.564 17.269 15.437  1.9463 17.219  2.9069  13.989  2.6203 280.070 24.764 252.206 24.856 27.86372       35.08670 
1 1 1 -12 22 20 o 202.471 19.021 8.9225  1.6118 11.027  2.7254  7.7906  1.9988 221.255 29.848 186.867 25.959 34.38737       39.55750 
1 1 1 -12 22 21 o 294.985 17.023 18.792  2.1175 19.731  3.3139  18.143  2.7528 298.249 26.514 287.635 22.785 10.61404       34.95918 
1 1 1 -12 22 22 o 105.843 25.903 2.5645  1.1516 0.8287  2.4707  3.0464  1.3017 92.331  38.358 115.164 27.135 -22.83298      46.98601 
1 1 1 -12 22 23 o 114.005 27.416 3.0060  1.3074 2.7727  3.2385  3.0514  1.4290 118.339 45.650 114.476 29.341 3.863052       54.26622 
1 1 1 -12 22 24 o 216.985 22.976 10.488  2.0792 12.799  3.8014  9.5010  2.4837 229.033 40.683 203.113 29.757 25.91956       50.40377 
1 1 1 -12 22 25 f 141.705 26.654 4.6278  1.5408 4.7740  3.9156  4.6010  1.6760 139.012 50.908 140.264 29.166 -1.252365      58.67080 
1 1 1 -12 23 1  o 229.019 24.709 11.396  2.3585 13.583  3.3025  9.1208  3.3694 248.236 32.171 200.106 41.135 48.13068       52.22140 
1 1 1 -12 23 2  o 269.794 35.936 16.140  4.0038 0.0000  0.0000  16.140  4.0038 ?       ?      269.794 35.936 0.000000       35.93608 
1 1 1 -12 23 3  o 117.920 41.942 2.7069  2.6344 0.0000  0.0000  2.7069  2.6344 ?       ?      117.920 41.942 0.000000       41.94226 
1 1 1 -12 23 4  o 273.021 32.136 16.370  3.6445 16.370  3.6445  0.0000  0.0000 273.021 32.136 ?       ?      0.000000       32.13615 
1 1 1 -12 23 5  o 274.358 22.645 16.236  2.6076 16.749  3.4724  15.572  3.9488 276.796 30.108 264.948 36.135 11.84744       47.03479 
1 1 1 -12 23 6  o 321.685 20.808 22.225  2.8195 24.302  3.8204  19.741  4.1782 334.824 27.178 299.677 33.495 35.14746       43.13451 
1 1 1 -12 23 7  o 199.691 25.162 8.7006  2.0807 10.728  2.7514  5.9920  3.1799 220.772 30.222 161.787 44.853 58.98494       54.08418 
1 1 1 -12 23 8  o 521.274 19.512 58.077  4.3074 57.838  5.7979  58.372  6.4349 517.512 26.544 518.758 29.412 -1.246338      39.61892 
1 1 1 -12 23 9  o 119.550 30.203 3.2147  1.5297 3.3571  2.1267  3.0622  2.2018 123.167 37.448 119.170 38.384 3.996681       53.62529 
1 1 1 -12 23 10 o 217.363 21.676 10.225  1.9687 8.4673  2.5583  12.778  3.0828 194.970 32.102 240.797 30.947 -45.82672      44.58989 
1 1 1 -12 23 11 o 324.710 16.598 22.554  2.2748 21.206  3.2996  23.775  3.1403 312.778 25.123 332.035 22.465 -19.25677      33.70202 
1 1 1 -12 23 12 o 180.166 20.471 7.0433  1.5342 3.1095  2.1683  10.987  2.1710 119.365 38.053 224.912 23.123 -105.5470      44.52694 
1 1 1 -12 23 13 o 405.051 16.142 35.018  2.7689 38.124  4.4581  33.068  3.5330 419.528 25.210 391.883 21.369 27.64487       33.04781 
1 1 1 -12 23 14 o 92.605  33.446 1.6062  1.6817 0.2143  2.2245  3.4626  2.5691 84.510  35.832 126.164 41.517 -41.65385      54.84147 
1 1 1 -12 23 15 o 87.559  28.966 1.6017  1.2499 -0.1043 2.2988  2.3178  1.4893 82.817  35.791 102.570 31.370 -19.75289      47.59262 
1 1 1 -12 23 16 o 292.772 19.748 18.490  2.4342 0.0000  0.0000  18.490  2.4342 ?       ?      292.772 19.748 0.000000       19.74834 
1 1 1 -12 23 17 o 361.159 17.823 27.976  2.7260 0.0000  0.0000  27.976  2.7260 ?       ?      361.159 17.823 0.000000       17.82334 
1 1 1 -12 23 18 f 258.714 28.435 14.855  3.0640 0.0000  0.0000  14.855  3.0640 ?       ?      258.714 28.435 0.000000       28.43467 
1 1 1 -12 23 19 o 150.190 33.896 5.2402  2.1047 0.0000  0.0000  5.2402  2.1047 ?       ?      150.190 33.896 0.000000       33.89559 
1 1 1 -12 23 20 o 273.205 16.896 16.119  1.9453 0.0000  0.0000  16.119  1.9453 ?       ?      273.205 16.896 0.000000       16.89605 
1 1 1 -12 23 21 o 209.440 15.745 9.4773  1.3863 9.1590  2.8576  9.5753  1.5854 198.312 35.321 209.888 18.010 -11.57558      39.64742 
1 1 1 -12 23 22 o 80.179  23.635 1.4384  0.8571 -1.2336 2.4075  1.8262  0.9172 74.499  34.069 89.608  23.776 -15.10888      41.54544 
1 1 1 -12 23 23 o 196.898 17.515 8.4612  1.4452 8.9314  3.5747  8.3694  1.5801 188.016 45.407 195.176 19.373 -7.159485      49.36728 
1 1 1 -12 23 24 o 337.746 15.834 24.657  2.2647 30.239  4.7267  22.993  2.5802 362.644 31.078 324.272 18.870 38.37204       36.35838 
1 1 1 -12 23 25 o 213.988 19.196 10.075  1.7211 16.153  4.5763  9.0732  1.8574 253.728 44.196 201.764 22.100 51.96397       49.41302 
1 1 1 -12 24 1  o 578.335 21.394 71.676  5.2397 74.818  7.2070  68.154  7.6313 587.974 28.943 558.809 32.386 29.16461       43.43487 
1 1 1 -12 24 2  o 682.517 21.195 99.786  6.1261 96.241  8.3139  103.998 9.0616 666.722 29.445 692.297 30.908 -25.57501      42.68853 
1 1 1 -12 24 3  o 673.921 31.080 98.545  8.8702 0.0000  0.0000  98.545  8.8702 ?       ?      673.921 31.080 0.000000       31.07992 
1 1 1 -12 24 4  o 256.388 22.829 14.210  2.4528 10.934  3.2797  18.369  3.6946 220.953 36.312 289.610 30.587 -68.65672      47.47801 
1 1 1 -12 24 5  o 135.290 39.074 4.1228  2.3640 4.1228  2.3640  0.0000  0.0000 135.290 39.074 ?       ?      0.000000       39.07376 
1 1 1 -12 24 6  o 261.831 22.807 14.817  2.5037 16.291  3.4374  13.151  3.6541 272.625 30.285 242.613 36.712 30.01187       47.59155 
1 1 1 -12 24 7  o 162.481 40.052 6.0446  2.7383 0.0000  0.0000  6.0446  2.7383 ?       ?      162.481 40.052 0.000000       40.05188 
1 1 1 -12 24 8  o 288.390 20.841 17.904  2.5282 15.658  3.4061  20.660  3.7727 266.975 30.684 307.547 29.322 -40.57217      42.44123 
1 1 1 -12 24 9  o 626.512 19.142 83.954  5.0788 70.641  6.7675  101.119 7.6847 571.461 27.964 684.450 26.512 -112.9883      38.53397 
1 1 1 -12 24 10 o 602.460 18.684 77.623  4.7669 65.725  6.3022  93.534  7.2875 551.409 26.988 658.211 26.144 -106.8026      37.57480 
1 1 1 -12 24 11 o 331.880 17.130 23.588  2.3993 18.696  3.4590  28.124  3.3310 292.414 28.285 361.240 21.877 -68.82581      35.75865 
1 1 1 -12 24 12 f 464.508 15.878 46.047  3.1235 39.964  4.8157  50.464  4.1039 428.946 26.642 485.177 19.973 -56.23102      33.29749 
1 1 1 -12 24 13 o 182.646 21.357 7.2618  1.6207 7.4021  2.6237  7.1752  2.0610 180.434 35.600 179.837 27.970 0.5973969      45.27391 
1 1 1 -12 24 14 o 321.070 19.452 22.190  2.6324 23.043  3.5615  21.163  3.9081 325.127 26.086 310.005 30.150 15.12201       39.86813 
1 1 1 -12 24 15 o 231.633 17.551 11.553  1.7089 8.8420  2.8468  13.080  2.1367 197.253 35.379 245.780 20.722 -48.52650      41.00042 
1 1 1 -12 24 16 f 311.577 15.811 20.814  2.0795 25.688  3.4898  18.131  2.5894 343.524 24.142 289.263 21.287 54.26065       32.18664 
1 1 1 -12 24 17 o 94.217  27.334 1.9862  1.1545 4.9803  2.2112  0.8641  1.3537 146.419 35.929 76.123  29.472 70.29523       46.47061 
1 1 1 -12 24 18 o 339.956 14.795 24.743  2.1300 32.708  3.8737  21.290  2.5502 386.870 23.759 313.588 19.297 73.28168       30.60777 
1 1 1 -12 24 19 o 190.064 21.856 7.9471  1.7272 6.6931  2.4738  9.1398  2.4126 169.162 35.656 201.262 29.156 -32.10007      46.05861 
1 1 1 -12 24 20 o 198.861 31.089 9.0233  2.5325 0.0000  0.0000  9.0233  2.5325 ?       ?      198.861 31.089 0.000000       31.08943 
1 1 1 -12 24 21 o 220.608 18.205 10.589  1.6856 0.0000  0.0000  10.589  1.6856 ?       ?      220.608 18.205 0.000000       18.20520 
1 1 1 -12 24 22 o 130.079 21.999 3.7984  1.1687 0.0000  0.0000  3.7984  1.1687 ?       ?      130.079 21.999 0.000000       21.99900 
1 1 1 -12 24 23 o 135.104 20.640 4.0790  1.1434 0.0000  0.0000  4.0790  1.1434 ?       ?      135.104 20.640 0.000000       20.63960 
1 1 1 -12 24 24 o 128.633 25.891 3.8181  1.3616 0.0000  0.0000  3.8181  1.3616 ?       ?      128.633 25.891 0.000000       25.89089 
1 1 1 -12 24 25 o 452.613 18.613 44.689  3.5678 0.0000  0.0000  44.689  3.5678 ?       ?      452.613 18.613 0.000000       18.61336 
1 1 1 -12 25 1  o 238.918 26.821 12.476  2.6668 17.965  3.7178  6.6575  3.8275 285.828 31.222 169.485 49.941 116.3434       58.89764 
1 1 1 -12 25 2  o 161.327 32.282 5.8571  2.1285 7.4423  3.0491  4.3503  2.9728 180.015 40.923 140.012 44.548 40.00339       60.49132 
1 1 1 -12 25 3  o 205.061 25.334 9.1906  2.1532 7.5882  2.8588  11.292  3.2735 182.544 38.206 224.570 35.609 -42.02534      52.22740 
1 1 1 -12 25 4  o 418.670 30.883 38.279  5.4370 0.0000  0.0000  38.279  5.4370 ?       ?      418.670 30.883 0.000000       30.88284 
1 1 1 -12 25 5  o 52.218  24.735 -1.7079 1.4592 0.1893  1.8918  -4.4948 2.2929 78.470  33.145 56.771  27.855 21.69899       43.29530 
1 1 1 -12 25 6  o 472.132 27.842 48.374  5.5422 48.374  5.5422  0.0000  0.0000 472.132 27.842 ?       ?      0.000000       27.84187 
1 1 1 -12 25 7  o 149.306 28.477 4.9794  1.7349 3.9757  2.2925  6.3244  2.6539 132.712 38.522 166.257 38.458 -33.54422      54.43288 
1 1 1 -12 25 8  o 404.289 19.498 34.990  3.3383 30.345  4.4735  40.829  5.0151 373.183 28.522 433.600 27.453 -60.41711      39.58767 
1 1 1 -12 25 9  o 180.812 24.287 7.1626  1.8127 3.5840  2.3581  12.332  2.8341 127.083 39.574 236.798 28.859 -109.7148      48.97906 
1 1 1 -12 25 10 o 196.416 21.650 8.3821  1.7710 9.9064  2.3602  6.4182  2.6790 212.393 26.839 167.196 38.615 45.19704       47.02629 
1 1 1 -12 25 11 o 294.647 16.876 18.609  2.0970 17.810  2.9937  19.379  2.9382 286.165 24.953 299.061 23.386 -12.89566      34.19839 
1 1 1 -12 25 12 o 332.444 17.506 23.703  2.4559 28.434  3.9479  20.717  3.1367 361.559 25.956 308.921 24.169 52.63791       35.46627 
1 1 1 -12 25 13 o 95.370  30.168 1.9677  1.3648 0.3487  2.2516  2.9082  1.7160 86.122  36.256 113.839 33.410 -27.71693      49.30248 
1 1 1 -12 25 14 o 429.783 18.033 39.582  3.2822 38.822  4.3598  40.575  4.9864 422.885 24.449 430.988 27.463 -8.103943      36.76912 
1 1 1 -12 25 15 o 185.241 20.160 7.4663  1.5560 10.517  2.5836  5.7297  1.9491 217.616 28.737 159.296 29.993 58.31969       41.53785 
1 1 1 -12 25 16 o 225.228 17.068 10.939  1.6158 8.4632  2.7226  12.286  2.0077 192.358 34.698 237.957 20.111 -45.59874      40.10478 
1 1 1 -12 25 17 o 406.211 14.361 35.297  2.4705 35.764  4.2177  35.053  3.0482 404.185 24.760 403.699 17.830 0.4852600      30.51140 
1 1 1 -12 25 18 o 148.624 20.362 4.8657  1.2479 8.3066  2.5648  3.7984  1.4284 190.176 33.045 129.174 26.981 61.00212       42.66071 
1 1 1 -12 25 19 o 162.800 18.050 5.7847  1.2235 5.1102  2.2237  6.0775  1.4652 147.141 35.985 165.968 21.340 -18.82607      41.83666 
1 1 1 -12 25 20 o 41.305  19.137 -0.6470 0.7953 2.6195  2.1937  -1.1413 0.8534 109.950 38.345 38.591  18.458 71.35873       42.55592 
1 1 1 -12 25 21 o 484.405 18.370 50.837  3.7684 57.788  5.3878  44.179  5.2727 511.664 24.865 444.079 28.183 67.58444       37.58373 
1 1 1 -12 25 22 o 256.290 15.502 14.217  1.6746 14.152  3.4537  14.236  1.9147 245.993 34.068 255.593 17.800 -9.599808      38.43765 
1 1 1 -12 25 23 o 217.109 17.144 10.288  1.5635 10.250  3.6898  10.296  1.7261 200.937 44.531 216.460 19.023 -15.52316      48.42402 
1 1 1 -12 25 24 o 477.152 15.934 49.285  3.2198 51.716  6.6291  48.535  3.6835 470.715 33.473 471.764 18.437 -1.049042      38.21463 
1 1 1 -12 26 1  o 654.230 21.501 91.887  5.9571 93.409  8.2471  90.226  8.6141 655.567 29.706 643.195 31.625 12.37238       43.38840 
1 1 1 -12 26 2  o 643.367 21.138 88.809  5.7593 90.747  7.9331  86.650  8.3745 646.638 28.969 630.555 31.361 16.08276       42.69375 
1 1 1 -12 26 3  o 231.654 25.098 11.701  2.4228 13.341  3.4261  10.061  3.4267 244.787 33.965 210.011 39.990 34.77632       52.46753 
1 1 1 -12 26 4  f 453.565 20.440 44.098  3.9261 41.142  5.2805  47.751  5.8710 434.600 28.854 467.922 29.782 -33.32214      41.46762 
1 1 1 -12 26 5  o 122.496 41.475 3.1646  2.5609 0.0000  0.0000  3.1646  2.5609 ?       ?      122.496 41.475 0.000000       41.47475 
1 1 1 -12 26 6  o 89.618  31.063 1.5938  1.4386 1.2736  1.9536  1.9731  2.1263 91.846  35.449 103.069 37.549 -11.22270      51.63881 
1 1 1 -12 26 7  o 231.195 29.674 11.794  2.8383 11.794  2.8383  0.0000  0.0000 231.195 29.674 ?       ?      0.000000       29.67373 
1 1 1 -12 26 8  f 323.654 26.983 22.827  3.6647 22.827  3.6647  0.0000  0.0000 323.654 26.983 ?       ?      0.000000       26.98316 
1 1 1 -12 26 9  o 222.154 22.020 10.710  2.0443 10.300  2.6997  11.262  3.1301 215.465 30.433 224.281 34.023 -8.815048      45.64795 
1 1 1 -12 26 10 o 532.214 16.098 60.487  3.6282 56.111  5.4532  63.963  4.8600 509.462 25.275 545.668 21.031 -36.20529      32.88105 
1 1 1 -12 26 11 o 391.704 18.120 32.851  3.0058 29.872  3.9581  36.909  4.6198 370.761 25.361 411.773 26.635 -41.01248      36.77798 
1 1 1 -12 26 12 o 484.241 15.680 50.086  3.2155 43.280  5.0717  54.660  4.1579 445.617 27.002 504.692 19.454 -59.07578      33.28035 
1 1 1 -12 26 13 o 163.967 22.137 5.8958  1.4979 4.3884  2.5107  6.7288  1.8664 138.140 40.375 174.284 26.090 -36.14359      48.07136 
1 1 1 -12 26 14 o 296.205 29.925 19.421  3.7023 0.0000  0.0000  19.421  3.7023 ?       ?      296.205 29.925 0.000000       29.92496 
1 1 1 -12 26 15 o 379.906 15.226 30.874  2.4497 35.038  3.9446  28.259  3.1255 401.369 23.307 361.434 20.504 39.93521       31.04243 
1 1 1 -12 26 16 o 89.433  28.085 1.7519  1.1848 3.9108  2.3232  0.9930  1.3774 129.890 39.061 78.339  29.882 51.55183       49.18037 
1 1 1 -12 26 17 o 240.256 16.459 12.457  1.6646 12.455  2.9893  12.458  2.0040 234.888 30.793 239.215 19.964 -4.327042      36.69841 
1 1 1 -12 26 18 o 183.415 18.872 7.3427  1.4449 10.274  2.8029  6.2816  1.6863 211.984 32.237 167.770 24.453 44.21460       40.46244 
1 1 1 -12 26 19 o 263.853 15.271 15.000  1.6990 13.044  3.0881  15.849  2.0347 239.510 31.185 270.395 17.869 -30.88467      35.94225 
1 1 1 -12 26 20 o 79.068  24.261 1.3839  0.8900 -0.1237 2.3945  1.6256  0.9587 82.504  36.081 85.005  24.979 -2.500931      43.88340 
1 1 1 -12 26 21 o 159.386 18.150 5.5769  1.2033 7.1488  2.5425  5.1233  1.3659 173.048 35.871 151.454 21.934 21.59363       42.04602 
1 1 1 -12 26 22 o 257.684 21.297 14.677  2.3032 19.713  3.7100  11.519  2.9379 292.905 30.349 222.192 32.158 70.71269       44.21786 
1 1 1 -12 26 23 o 151.145 28.414 5.3156  1.7520 6.0179  3.7469  5.1191  1.9820 151.018 50.161 146.267 32.806 4.750626       59.93587 
1 1 1 -12 26 24 o 212.798 18.848 9.9625  1.6810 12.545  3.9884  9.4047  1.8536 222.630 43.863 205.503 21.624 17.12729       48.90376 
1 1 1 -12 27 1  o 508.693 21.852 55.638  4.7075 51.485  6.4531  60.362  6.8826 484.402 31.631 524.948 31.098 -40.54578      44.35738 
1 1 1 -12 27 2  o 76.872  31.853 0.3999  1.6973 0.8568  2.4844  -0.0000 2.3243 94.928  38.851 84.312  36.210 10.61601       53.10872 
1 1 1 -12 27 3  o 226.318 24.095 11.161  2.2739 12.388  3.1054  9.7439  3.3387 236.202 31.857 206.424 39.633 29.77867       50.84977 
1 1 1 -12 27 4  o 329.052 21.128 23.341  2.9287 22.790  3.9879  23.986  4.3149 322.425 29.534 330.190 31.228 -7.764709      42.98238 
1 1 1 -12 27 5  o 313.524 21.307 21.206  2.8122 22.849  3.7671  19.139  4.2265 323.457 27.770 293.297 34.700 30.15921       44.44411 
1 1 1 -12 27 6  o 246.469 33.263 13.530  3.3832 0.0000  0.0000  13.530  3.3832 ?       ?      246.469 33.263 0.000000       33.26297 
1 1 1 -12 27 7  o 177.755 37.721 7.2372  2.7517 0.0000  0.0000  7.2372  2.7517 ?       ?      177.755 37.721 0.000000       37.72095 
1 1 1 -12 27 8  o 230.761 30.628 11.808  2.9192 11.808  2.9192  0.0000  0.0000 230.761 30.628 ?       ?      0.000000       30.62769 
1 1 1 -12 27 9  o 222.412 25.107 10.825  2.3235 11.372  2.6554  9.0392  4.7993 227.090 28.219 193.642 55.601 33.44809       62.35220 
1 1 1 -12 27 10 o 114.200 26.672 2.9398  1.2666 2.8452  1.7652  3.0402  1.8184 112.923 34.069 116.344 34.461 -3.421173      48.45857 
1 1 1 -12 27 11 o 726.987 16.149 112.978 4.9718 111.083 7.8207  114.262 6.4408 715.631 25.806 728.806 20.868 -13.17474      33.18752 
1 1 1 -12 27 12 o 238.675 21.783 12.379  2.1775 9.5454  3.0828  15.199  3.0760 204.302 36.993 262.598 28.096 -58.29578      46.45297 
1 1 1 -12 27 13 o 235.461 18.186 11.967  1.7994 13.687  2.9812  10.982  2.2568 248.518 28.864 223.847 24.191 24.67113       37.66066 
1 1 1 -12 27 14 o 393.717 28.218 34.146  4.6738 0.0000  0.0000  34.146  4.6738 ?       ?      393.717 28.218 0.000000       28.21827 
1 1 1 -12 27 15 o 303.623 16.412 19.834  2.1025 19.564  3.4734  19.991  2.6413 297.147 27.930 303.422 20.679 -6.275879      34.75176 
1 1 1 -12 27 16 o 180.557 18.480 7.0995  1.3931 5.2888  2.5713  7.8520  1.6575 149.063 39.929 189.234 21.039 -40.17081      45.13323 
1 1 1 -12 27 17 o 282.802 15.675 17.228  1.8699 20.275  3.3937  15.899  2.2408 302.133 26.802 270.305 19.711 31.82773       33.26934 
1 1 1 -12 27 18 o 401.749 14.401 34.610  2.4501 33.089  4.4422  35.275  2.9373 385.719 27.372 404.534 17.145 -18.81573      32.29877 
1 1 1 -12 27 19 f 213.009 16.504 9.8334  1.4772 7.4013  2.7892  10.781  1.7415 175.809 38.526 222.407 18.662 -46.59772      42.80803 
1 1 1 -12 27 20 o 211.033 15.565 9.6447  1.3812 4.8665  2.7672  11.230  1.5940 140.768 42.697 227.447 16.665 -86.67941      45.83442 
1 1 1 -12 27 21 o 88.773  23.896 1.8056  0.9182 0.2654  2.4312  2.0619  0.9917 85.474  36.873 94.647  24.537 -9.173073      44.29117 
1 1 1 -12 27 22 f 105.956 22.751 2.5702  0.9904 -2.1641 2.8600  3.2153  1.0557 75.519  35.416 119.146 21.723 -43.62730      41.54739 
1 1 1 -12 27 23 o 344.245 15.670 25.649  2.2844 22.430  4.8343  26.575  2.5921 304.446 38.346 349.013 17.594 -44.56769      42.18950 
1 1 1 -12 28 1  o 699.209 21.195 105.170 6.2761 96.554  8.5814  115.078 9.2025 664.401 30.499 725.761 29.941 -61.35986      42.73932 
1 1 1 -12 28 2  o 280.868 22.650 17.104  2.6712 17.003  3.6169  17.226  3.9618 277.106 31.374 277.739 34.421 -0.6330261     46.57359 
1 1 1 -12 28 3  o 358.206 20.828 27.660  3.1458 26.445  4.2752  29.095  4.6457 347.202 29.350 363.828 30.431 -16.62543      42.27885 
1 1 1 -12 28 4  o 436.377 20.270 40.885  3.7459 47.010  5.1229  33.847  5.4913 465.139 26.112 391.159 33.472 73.97949       42.45290 
1 1 1 -12 28 5  o 163.711 26.824 5.9538  1.7953 5.7660  2.3557  6.2140  2.7728 158.639 35.902 163.744 40.266 -5.104614      53.94733 
1 1 1 -12 28 6  o 77.372  29.821 0.8926  1.3811 1.1014  1.9095  0.6637  2.0000 88.791  34.828 85.149  34.854 3.642159       49.27258 
1 1 1 -12 28 7  o 218.668 34.089 10.752  3.0538 0.0000  0.0000  10.752  3.0538 ?       ?      218.668 34.089 0.000000       34.08883 
1 1 1 -12 28 8  o 258.141 26.902 14.618  2.8977 0.0000  0.0000  14.618  2.8977 ?       ?      258.141 26.902 0.000000       26.90168 
1 1 1 -12 28 9  o 308.763 17.510 20.478  2.2801 18.356  3.2920  22.433  3.1612 289.357 27.184 321.477 23.380 -32.12021      35.85477 
1 1 1 -12 28 10 o 227.754 23.538 11.327  2.2376 10.949  2.5624  12.542  4.5920 222.565 27.791 229.609 48.733 -7.043945      56.10008 
1 1 1 -12 28 11 o 411.010 21.048 36.497  3.6512 34.578  4.6517  39.575  5.8930 397.085 27.838 421.911 33.251 -24.82602      43.36569 
1 1 1 -12 28 12 o 127.211 28.061 3.6707  1.4711 2.0680  2.3161  4.7546  1.9047 105.361 39.054 144.116 32.039 -38.75517      50.51465 
1 1 1 -12 28 13 o 201.890 23.997 8.9731  2.0115 9.9068  2.8745  8.0772  2.8158 208.689 33.672 186.753 36.912 21.93585       49.96238 
1 1 1 -12 28 14 o 367.737 29.288 30.028  4.5232 0.0000  0.0000  30.028  4.5232 ?       ?      367.737 29.288 0.000000       29.28751 
1 1 1 -12 28 15 o 110.523 28.444 2.8002  1.3391 0.3595  2.4970  3.7855  1.5866 88.916  37.841 128.246 29.783 -39.33037      48.15561 
1 1 1 -12 28 16 o 160.616 21.393 5.6986  1.4189 8.7506  2.6391  4.4575  1.6829 194.901 33.161 139.235 29.460 55.66606       44.35704 
1 1 1 -12 28 17 o 204.237 17.155 9.0513  1.4701 7.8793  2.6678  9.5623  1.7616 183.354 35.642 209.029 20.150 -25.67525      40.94317 
1 1 1 -12 28 18 o 145.892 20.636 4.7141  1.2394 2.0065  2.7093  5.4307  1.3938 106.744 41.592 156.461 21.612 -49.71709      46.87214 
1 1 1 -12 28 19 o 366.731 14.537 28.903  2.2577 31.889  4.0871  27.592  2.7084 378.622 25.641 356.501 17.998 22.12085       31.32706 
1 1 1 -12 28 20 o 260.008 15.529 14.638  1.7021 20.490  3.3880  12.662  1.9686 301.604 26.805 240.208 19.521 61.39587       33.15989 
1 1 1 -12 28 21 o 245.452 15.802 13.083  1.6338 17.798  3.3227  11.579  1.8763 279.120 28.510 229.356 19.502 49.76379       34.54225 
1 1 1 -12 28 22 o 228.288 15.675 11.330  1.5062 4.4986  3.3826  13.020  1.6822 134.118 47.545 244.519 16.339 -110.4009      50.27456 
1 1 1 -12 28 23 o 175.371 20.044 6.8296  1.4619 -2.4936 3.5515  8.7315  1.6041 83.543  39.271 198.853 19.290 -115.3104      43.75295 
1 1 1 -12 29 1  o 297.817 23.295 19.293  2.9147 21.957  4.0674  16.481  4.1789 314.780 30.910 269.378 37.661 45.40173       48.72159 
1 1 1 -12 29 2  o 295.088 21.822 18.871  2.7077 12.786  3.6387  26.422  4.0534 237.006 37.501 347.124 27.807 -110.1181      46.68534 
1 1 1 -12 29 3  f 311.286 21.512 20.970  2.8185 23.167  3.8508  18.434  4.1364 324.793 28.279 286.795 34.767 37.99841       44.81575 
1 1 1 -12 29 4  o 246.454 22.347 13.202  2.3071 14.253  3.1200  11.935  3.4269 253.781 29.586 229.356 36.505 24.42465       46.98852 
1 1 1 -12 29 5  f 56.514  25.354 -0.5400 1.2589 0.1933  1.7149  -1.3971 1.8540 74.683  31.551 63.545  29.362 11.13833       43.10020 
1 1 1 -12 29 6  o 70.655  28.789 0.4612  1.3567 1.4675  1.7907  -0.8946 2.0786 91.729  34.273 71.994  32.416 19.73549       47.17461 
1 1 1 -12 29 7  f 193.597 23.561 8.2160  1.8919 6.4418  2.5420  10.419  2.8325 167.143 36.899 215.576 31.997 -48.43307      48.84019 
1 1 1 -12 29 8  o 322.435 24.298 22.643  3.2935 0.0000  0.0000  22.643  3.2935 ?       ?      322.435 24.298 0.000000       24.29810 
1 1 1 -12 29 9  f 322.136 23.199 22.561  3.1437 0.0000  0.0000  22.561  3.1437 ?       ?      322.136 23.199 0.000000       23.19945 
1 1 1 -12 29 10 o 202.887 28.534 9.1721  2.3839 0.0000  0.0000  9.1721  2.3839 ?       ?      202.887 28.534 0.000000       28.53351 
1 1 1 -12 29 11 o 162.697 32.400 6.0502  2.1540 4.7909  2.7637  7.9988  3.4379 143.089 42.507 182.965 44.741 -39.87621      61.71401 
1 1 1 -12 29 12 o 126.968 36.235 3.7304  2.0443 5.3289  2.4908  0.4316  3.5782 150.499 38.825 104.742 44.955 45.75691       59.39918 
1 1 1 -12 29 13 o 91.004  34.001 1.4936  1.7624 0.1268  2.3126  3.3868  2.7217 84.119  36.123 123.970 42.740 -39.85046      55.96064 
1 1 1 -12 29 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 29 15 o 137.760 25.105 4.2837  1.4107 4.9284  2.4606  3.9681  1.7217 143.628 39.309 130.663 31.486 12.96515       50.36438 
1 1 1 -12 29 16 o 188.045 19.108 7.7290  1.5005 9.1437  2.7463  7.1270  1.7916 198.691 33.852 178.786 24.292 19.90527       41.66588 
1 1 1 -12 29 17 o 252.051 20.990 13.923  2.2202 17.700  3.1408  10.151  3.1389 281.622 26.651 207.527 37.076 74.09428       45.66082 
1 1 1 -12 29 18 o 128.387 22.257 3.7036  1.1663 1.9347  2.3909  4.2559  1.3360 102.391 39.295 137.317 23.839 -34.92587      45.96092 
1 1 1 -12 29 19 o 139.107 22.698 4.3576  1.2910 6.2497  2.4940  3.6649  1.5090 160.532 37.382 125.241 29.019 35.29102       47.32338 
1 1 1 -12 29 20 o 129.866 20.483 3.7787  1.0892 4.1616  2.4615  3.6854  1.2145 129.994 40.425 127.220 23.405 2.773682       46.71149 
1 1 1 -12 29 21 o 164.594 17.903 5.9660  1.2278 6.5936  2.7925  5.8156  1.3670 161.769 40.775 161.561 20.437 0.2081909      45.61009 
1 1 1 -12 29 22 o 171.658 19.380 6.5298  1.3842 11.061  3.3282  5.5821  1.5220 212.330 38.427 156.865 23.646 55.46538       45.11985 
1 1 1 -12 30 1  o 129.587 31.738 3.8561  1.7279 4.2806  2.4420  3.4305  2.4452 135.786 39.857 123.888 40.491 11.89799       56.81620 
1 1 1 -12 30 2  o 83.520  31.134 1.2191  1.4760 -0.2187 1.8091  4.0822  2.5527 72.148  31.461 133.318 41.119 -61.17059      51.77447 
1 1 1 -12 30 3  o 75.375  30.220 0.6603  1.4682 1.4949  2.0340  -0.2475 2.1214 94.985  36.293 77.954  34.029 17.03062       49.75127 
1 1 1 -12 30 4  o 154.238 27.854 5.3451  1.7524 8.6982  2.3901  1.4469  2.5770 197.180 29.531 101.396 40.240 95.78403       49.91354 
1 1 1 -12 30 5  o 126.507 31.000 3.6584  1.6478 2.5143  2.2960  4.8736  2.3664 110.924 39.188 144.760 38.087 -33.83546      54.64678 
1 1 1 -12 30 6  o 65.333  27.192 0.2535  1.2448 1.6489  1.6518  -1.5808 1.8938 92.418  33.175 62.995  29.304 29.42305       44.26408 
1 1 1 -12 30 7  o 144.211 26.699 4.6698  1.5705 3.3837  2.2081  5.9867  2.2343 122.442 38.322 161.550 33.747 -39.10729      51.06256 
1 1 1 -12 30 8  o 221.456 19.427 10.634  1.8036 12.816  2.5233  8.3539  2.5788 241.527 25.033 191.763 32.942 49.76433       41.37429 
1 1 1 -12 30 9  o 131.919 27.852 3.9481  1.5072 3.7387  2.0119  4.2160  2.2753 127.257 35.818 134.665 38.156 -7.407631      52.33326 
1 1 1 -12 30 10 o 155.350 36.156 5.6253  2.3341 0.0000  0.0000  5.6253  2.3341 ?       ?      155.350 36.156 0.000000       36.15648 
1 1 1 -12 30 11 o 211.078 25.297 9.8640  2.2162 0.0000  0.0000  9.8640  2.2162 ?       ?      211.078 25.297 0.000000       25.29697 
1 1 1 -12 30 12 o 353.207 21.742 27.182  3.2363 0.0000  0.0000  27.182  3.2363 ?       ?      353.207 21.742 0.000000       21.74161 
1 1 1 -12 30 13 o 343.636 19.737 25.638  2.8603 22.744  3.7391  29.721  4.4408 319.653 27.901 365.023 28.965 -45.37012      40.21766 
1 1 1 -12 30 14 f 159.081 44.636 6.1989  3.1296 0.0000  0.0000  6.1989  3.1296 ?       ?      159.081 44.636 0.000000       44.63608 
1 1 1 -12 30 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -12 30 16 o 182.045 25.032 7.4221  1.8787 8.6706  2.8276  6.4353  2.5138 191.877 36.123 164.337 37.011 27.54057       51.71744 
1 1 1 -12 30 17 o 279.660 16.197 16.918  1.9101 16.046  3.5037  17.287  2.2784 264.505 31.924 281.499 19.227 -16.99368      37.26689 
1 1 1 -12 30 18 o 346.649 15.223 25.901  2.2348 34.336  4.1156  22.374  2.6613 392.722 24.875 319.714 19.753 73.00821       31.76344 
1 1 1 -12 30 19 o 237.683 16.449 12.291  1.6456 8.8670  3.1469  13.580  1.9305 189.210 40.496 249.050 18.435 -59.84029      44.49495 
1 1 1 -12 30 20 f 112.529 23.032 2.9006  1.0606 0.0001  2.5548  3.5046  1.1658 84.527  37.109 123.957 23.057 -39.42999      43.68882 
1 1 1 -12 30 21 o 185.835 17.721 7.5896  1.3777 10.271  3.0271  6.8892  1.5472 206.062 35.998 175.586 21.240 30.47655       41.79718 
1 1 1 -12 31 1  o 248.240 23.477 13.515  2.4388 15.441  3.3656  11.385  3.5388 262.345 30.885 220.953 39.258 41.39238       49.95045 
1 1 1 -12 31 2  o 95.774  32.281 1.9427  1.5513 0.6643  2.1483  3.3359  2.2426 86.781  35.887 121.365 38.701 -34.58379      52.77880 
1 1 1 -12 31 3  o 131.148 29.945 3.9387  1.6266 2.9535  2.1551  5.2429  2.4795 115.510 38.026 149.281 38.847 -33.77075      54.36032 
1 1 1 -12 31 4  o 151.478 27.257 5.1674  1.6842 5.4814  2.3047  4.8075  2.4674 153.380 36.085 143.073 39.448 10.30611       53.46258 
1 1 1 -12 31 5  f 147.365 28.144 4.9135  1.6924 2.3185  2.3008  7.9725  2.4981 107.970 39.101 187.007 32.735 -79.03677      50.99540 
1 1 1 -12 31 6  o 360.458 19.628 28.097  2.9849 27.061  4.0001  29.397  4.4838 350.427 27.166 364.164 29.323 -13.73694      39.97294 
1 1 1 -12 31 7  f 190.637 22.555 7.9864  1.7857 6.9407  2.3233  9.4955  2.7911 174.118 32.709 204.049 33.460 -29.93121      46.79184 
1 1 1 -12 31 8  o 126.865 29.417 3.6875  1.5498 1.1300  2.0632  6.9990  2.3477 90.529  35.981 174.663 32.947 -84.13431      48.78642 
1 1 1 -12 31 9  o 84.405  29.428 1.4384  1.2921 1.2123  1.6933  1.7537  1.9992 86.181  33.070 97.319  36.243 -11.13760      49.06280 
1 1 1 -12 31 10 o 99.132  32.769 2.1364  1.5998 1.3171  2.6031  2.6337  2.0279 99.432  40.108 109.699 36.909 -10.26764      54.50561 
1 1 1 -12 31 11 o 245.082 20.425 13.101  2.1006 10.130  3.2049  15.338  2.7812 207.990 37.777 263.369 25.245 -55.37871      45.43591 
1 1 1 -12 31 12 o 214.433 25.661 10.240  2.2840 0.0000  0.0000  10.240  2.2840 ?       ?      214.433 25.661 0.000000       25.66095 
1 1 1 -12 31 13 o 332.271 21.424 24.126  2.9986 0.0000  0.0000  24.126  2.9986 ?       ?      332.271 21.424 0.000000       21.42390 
1 1 1 -12 31 14 o 117.984 32.558 3.2482  1.6799 0.0000  0.0000  3.2482  1.6799 ?       ?      117.984 32.558 0.000000       32.55844 
1 1 1 -12 31 15 o 224.448 17.804 10.955  1.6784 10.915  2.9986  10.973  2.0254 217.019 33.721 223.234 21.699 -6.214249      40.09946 
1 1 1 -12 31 16 o 295.734 28.115 19.699  3.4788 19.699  3.4788  0.0000  0.0000 295.734 28.115 ?       ?      0.000000       28.11491 
1 1 1 -12 31 17 o 101.255 31.934 2.3507  1.5302 4.2629  2.3933  1.0284  1.9901 132.285 39.615 86.804  35.049 45.48045       52.89440 
1 1 1 -12 31 18 o 203.805 22.990 9.2887  1.9496 10.870  3.0957  8.2496  2.5098 213.465 35.491 186.915 32.909 26.54988       48.40052 
1 1 1 -12 31 19 o 276.824 19.898 16.888  2.3171 19.523  3.5521  14.936  3.0570 291.440 29.172 254.871 28.829 36.56876       41.01408 
1 1 1 -12 31 20 o 125.563 27.517 3.6959  1.4228 2.5274  2.7370  4.1287  1.6656 109.727 42.059 131.660 30.475 -21.93375      51.93911 
1 1 1 -12 31 21 o 162.207 24.301 5.9921  1.6179 7.4174  3.0529  5.4355  1.9078 169.993 42.516 151.265 30.828 18.72745       52.51683 
1 1 1 -12 32 1  o 340.826 29.689 25.930  4.2425 25.930  4.2425  0.0000  0.0000 340.826 29.689 ?       ?      0.000000       29.68944 
1 1 1 -12 32 2  o 209.353 24.885 9.7084  2.1631 8.7726  2.9147  10.856  3.2273 193.985 36.826 216.464 36.504 -22.47878      51.85301 
1 1 1 -12 32 3  o 258.857 22.332 14.664  2.4242 9.9712  3.2343  20.680  3.6621 206.398 38.416 304.718 28.717 -98.31993      47.96324 
1 1 1 -12 32 4  o 199.513 24.642 8.8172  2.0378 8.3256  2.6926  9.4763  3.1176 189.824 34.776 201.338 37.956 -11.51389      51.47868 
1 1 1 -12 32 5  o 305.606 20.934 20.325  2.6929 14.276  3.5837  28.169  4.0814 249.803 34.823 356.860 27.212 -107.0565      44.19414 
1 1 1 -12 32 6  o 121.143 30.957 3.3879  1.5941 2.8613  2.0803  4.1368  2.4811 113.348 37.363 132.878 40.458 -19.53020      55.07148 
1 1 1 -12 32 7  o 203.148 22.420 9.0770  1.8967 7.1324  2.4428  12.029  3.0096 175.516 34.094 230.328 31.694 -54.81219      46.54995 
1 1 1 -12 32 8  o 219.484 19.789 10.502  1.8196 9.1346  2.5618  11.894  2.5850 200.347 31.210 231.008 26.928 -30.66092      41.22155 
1 1 1 -12 32 9  o 274.534 18.080 16.325  2.0902 17.182  2.9997  15.515  2.9142 278.570 25.717 264.301 26.389 14.26959       36.84800 
1 1 1 -12 32 10 o 243.779 20.123 12.967  2.0589 10.965  3.1689  14.429  2.7084 217.295 35.675 255.086 25.410 -37.79129      43.79919 
1 1 1 -12 32 11 o 302.018 17.788 19.752  2.2651 21.477  3.3943  18.366  3.0414 311.171 25.996 288.012 25.189 23.15891       36.19765 
1 1 1 -12 32 12 o 207.200 20.539 9.4148  1.7785 11.324  3.0020  8.3822  2.2077 221.914 32.944 192.629 27.873 29.28436       43.15297 
1 1 1 -12 32 13 o 245.470 18.611 13.115  1.9203 16.851  3.1585  10.925  2.4187 274.235 27.570 220.853 26.383 53.38174       38.15997 
1 1 1 -12 32 14 o 88.137  31.927 1.5351  1.5340 0.0000  0.0000  1.5351  1.5340 ?       ?      88.137  31.927 0.000000       31.92650 
1 1 1 -12 32 15 o 110.982 30.918 2.8760  1.5072 0.0000  0.0000  2.8760  1.5072 ?       ?      110.982 30.918 0.000000       30.91830 
1 1 1 -12 32 16 o 161.797 26.338 5.9689  1.7426 0.0000  0.0000  5.9689  1.7426 ?       ?      161.797 26.338 0.000000       26.33850 
1 1 1 -12 32 17 o 170.216 35.143 6.9695  2.4494 0.0000  0.0000  6.9695  2.4494 ?       ?      170.216 35.143 0.000000       35.14322 
1 1 1 -12 32 18 o 310.089 28.167 21.977  3.6585 0.0000  0.0000  21.977  3.6585 ?       ?      310.089 28.167 0.000000       28.16667 
1 1 1 -12 32 19 o 117.246 28.523 3.2498  1.4027 0.0000  0.0000  3.2498  1.4027 ?       ?      117.246 28.523 0.000000       28.52315 
1 1 1 -12 32 20 o 86.119  27.402 1.6815  1.1247 0.0000  0.0000  1.6815  1.1247 ?       ?      86.119  27.402 0.000000       27.40151 
1 1 1 -12 33 1  o 131.072 41.862 4.0140  2.6232 0.0000  0.0000  4.0140  2.6232 ?       ?      131.072 41.862 0.000000       41.86234 
1 1 1 -12 33 2  o 181.988 35.785 7.7353  2.6596 7.7353  2.6596  0.0000  0.0000 181.988 35.785 ?       ?      0.000000       35.78460 
1 1 1 -12 33 3  o 295.483 29.457 19.565  3.6369 19.565  3.6369  0.0000  0.0000 295.483 29.457 ?       ?      0.000000       29.45666 
1 1 1 -12 33 4  o 141.724 28.413 4.5898  1.6459 5.4750  2.1880  3.4360  2.4981 152.919 34.596 122.947 40.963 29.97204       53.61718 
1 1 1 -12 33 5  o 143.270 27.438 4.6691  1.6041 3.0186  2.1959  6.5576  2.3489 115.854 38.397 167.790 34.216 -51.93607      51.43016 
1 1 1 -12 33 6  o 388.531 17.336 32.527  2.8525 28.078  4.1344  36.568  3.9406 355.323 27.694 408.784 22.854 -53.46054      35.90686 
1 1 1 -12 33 7  o 190.129 22.512 7.9835  1.7774 9.2286  2.2781  6.0463  2.8417 202.793 27.213 158.076 41.807 44.71637       49.88352 
1 1 1 -12 33 8  o 113.548 29.063 2.9751  1.4034 1.6071  1.8317  4.9201  2.1840 92.947  34.676 144.238 35.897 -51.29128      49.90999 
1 1 1 -12 33 9  o 202.833 22.554 9.0833  1.9046 9.6217  2.8557  8.6519  2.5561 203.701 34.323 193.917 32.259 9.784683       47.10331 
1 1 1 -12 33 10 o 155.661 34.888 5.7097  2.2429 6.4517  2.6337  3.7511  4.2790 164.135 38.547 135.039 52.367 29.09587       65.02437 
1 1 1 -12 33 11 o 205.590 21.586 9.3109  1.8513 7.0477  2.9317  10.812  2.3877 170.317 41.114 219.809 26.164 -49.49117      48.73272 
1 1 1 -12 33 12 o 272.858 18.339 16.187  2.1068 14.551  3.3529  17.254  2.7082 251.965 32.155 279.666 23.073 -27.70142      39.57663 
1 1 1 -12 33 13 o 276.290 17.510 16.573  2.0381 15.376  3.3601  17.269  2.5636 259.285 31.228 280.199 21.775 -20.91348      38.07079 
1 1 1 -12 33 14 o 349.458 19.729 26.686  2.9077 0.0000  0.0000  26.686  2.9077 ?       ?      349.458 19.729 0.000000       19.72860 
1 1 1 -12 33 15 o 175.178 20.273 6.7925  1.4762 7.1116  2.7309  6.6608  1.7546 170.487 38.709 171.632 24.865 -1.145111      46.00666 
1 1 1 -12 33 16 o 117.235 25.240 3.1750  1.2161 1.1048  2.4232  3.8719  1.4059 92.672  38.199 129.261 26.571 -36.58896      46.53135 
1 1 1 -12 33 17 o 241.468 16.796 12.725  1.7069 10.343  3.2973  13.597  1.9950 204.441 39.514 248.579 19.097 -44.13808      43.88669 
1 1 1 -12 33 18 o 221.749 17.885 10.796  1.6653 7.8010  3.2168  11.892  1.9464 173.494 43.782 231.783 20.026 -58.28865      48.14433 
1 1 1 -12 33 19 o 162.138 35.623 6.4444  2.3792 0.0000  0.0000  6.4444  2.3792 ?       ?      162.138 35.623 0.000000       35.62299 
1 1 1 -12 34 1  o 251.116 34.845 14.557  3.6057 0.0000  0.0000  14.557  3.6057 ?       ?      251.116 34.845 0.000000       34.84506 
1 1 1 -12 34 2  o 181.981 39.092 7.8998  2.9228 0.0000  0.0000  7.8998  2.9228 ?       ?      181.981 39.092 0.000000       39.09156 
1 1 1 -12 34 3  o 413.206 28.111 38.041  4.8899 38.041  4.8899  0.0000  0.0000 413.206 28.111 ?       ?      0.000000       28.11101 
1 1 1 -12 34 4  o 72.459  30.922 0.1386  1.6756 -0.2025 1.7970  2.4101  4.6375 71.421  31.245 127.488 52.724 -56.06644      61.28663 
1 1 1 -12 34 5  o 77.273  29.685 0.9641  1.3653 0.9411  1.9909  0.9846  1.8759 86.676  35.036 85.474  34.198 1.202187       48.95961 
1 1 1 -12 34 6  o 309.188 18.264 20.730  2.3808 12.731  3.4647  27.886  3.2771 233.803 36.159 357.061 21.776 -123.2575      42.21006 
1 1 1 -12 34 7  o 87.979  31.056 1.5755  1.4417 -1.2074 1.9203  5.1705  2.1825 65.541  30.139 147.844 35.339 -82.30262      46.44619 
1 1 1 -12 34 8  o 70.321  28.118 0.6189  1.2672 -0.3252 1.5324  2.6612  2.2538 64.629  28.542 110.732 38.852 -46.10330      48.20960 
1 1 1 -12 34 9  o 428.994 17.049 39.713  3.0973 40.173  4.8546  39.397  4.0224 424.685 27.134 423.823 22.491 0.8618469      35.24403 
1 1 1 -12 34 10 o 170.957 24.728 6.5582  1.7383 7.2092  2.5911  6.0255  2.3440 174.297 36.284 159.303 35.636 14.99384       50.85727 
1 1 1 -12 34 11 o 142.025 28.098 4.6415  1.6302 8.9406  2.6184  1.9205  2.0831 196.245 32.654 99.207  36.986 97.03716       49.33777 
1 1 1 -12 34 12 o 203.493 21.138 9.1420  1.7950 13.891  2.9722  6.4151  2.2521 247.296 28.927 165.026 33.372 82.27065       44.16418 
1 1 1 -12 34 13 o 100.846 28.463 2.3574  1.2687 2.5608  2.2226  2.2591  1.5451 108.118 38.518 99.702  32.159 8.416039       50.17770 
1 1 1 -12 34 14 o 176.404 26.301 7.0930  1.9047 0.0000  0.0000  7.0930  1.9047 ?       ?      176.404 26.301 0.000000       26.30062 
1 1 1 -12 34 15 o 107.575 26.996 2.7054  1.2279 -0.1407 2.3430  3.7830  1.4417 80.316  35.391 127.284 27.546 -46.96807      44.84718 
1 1 1 -12 34 16 o 117.935 30.146 3.3121  1.5114 3.8537  2.4432  2.9765  1.9236 124.893 40.454 111.653 35.867 13.24001       54.06496 
1 1 1 -12 34 17 o 262.351 17.153 15.051  1.8953 12.982  3.5543  15.873  2.2404 230.283 37.755 268.014 19.880 -37.73094      42.66903 
1 1 1 -12 34 18 o 101.274 27.923 2.4176  1.2363 0.6216  2.6516  2.9164  1.3974 90.262  38.718 110.689 29.338 -20.42759      48.57784 
1 1 1 -12 35 1  o 169.841 27.895 6.5742  1.9367 5.7700  2.5797  7.6129  2.9318 154.204 39.368 177.181 40.018 -22.97726      56.13629 
1 1 1 -12 35 2  o 118.157 40.791 3.1480  2.4795 0.0000  0.0000  3.1480  2.4795 ?       ?      118.157 40.791 0.000000       40.79111 
1 1 1 -12 35 3  o 110.105 39.728 2.5647  2.3719 0.0000  0.0000  2.5647  2.3719 ?       ?      110.105 39.728 0.000000       39.72755 
1 1 1 -12 35 4  o 71.707  30.882 0.0402  1.6995 0.0000  1.8240  0.3051  4.6821 73.691  31.864 113.672 50.062 -39.98064      59.34243 
1 1 1 -12 35 5  o 262.225 24.606 15.262  2.7005 14.117  3.0676  19.204  5.6928 249.599 29.598 276.135 50.544 -26.53540      58.57230 
1 1 1 -12 35 6  o 188.145 21.955 7.8315  1.7164 9.1958  2.4728  6.5628  2.3845 200.607 30.030 166.775 34.883 33.83235       46.02858 
1 1 1 -12 35 7  o 149.895 27.148 5.1276  1.6599 4.7542  2.2206  5.6005  2.4988 140.876 36.813 152.236 38.680 -11.35991      53.39825 
1 1 1 -12 35 8  o 131.348 32.215 4.0598  1.7783 7.5643  2.8061  1.7074  2.2990 177.299 38.477 98.856  38.370 78.44299       54.33941 
1 1 1 -12 35 9  o 122.587 34.497 3.5611  1.8664 2.3905  2.5536  4.9035  2.7348 108.953 40.885 141.398 42.348 -32.44508      58.86361 
1 1 1 -12 35 10 o 155.037 28.613 5.5395  1.8094 8.0897  2.7753  3.6541  2.3863 183.837 36.929 123.978 39.962 59.85947       54.41293 
1 1 1 -12 35 11 o 235.642 19.470 12.180  1.9256 14.804  2.8695  10.030  2.5971 256.139 26.853 208.618 30.281 47.52136       40.47283 
1 1 1 -12 35 12 o 154.518 25.259 5.4354  1.5958 4.8957  2.6376  5.7469  2.0042 140.237 41.496 156.259 31.376 -16.02216      52.02281 
1 1 1 -12 35 13 o 348.636 16.439 26.342  2.4271 28.175  4.0355  25.304  3.0380 352.723 27.227 338.478 21.303 14.24515       34.57051 
1 1 1 -12 35 14 o 81.019  30.269 1.2456  1.3967 0.0000  0.0000  1.2456  1.3967 ?       ?      81.019  30.269 0.000000       30.26894 
1 1 1 -12 35 15 o 66.494  26.982 0.5216  1.1857 -2.0257 2.4943  1.2653  1.3477 69.914  32.879 80.576  29.806 -10.66214      44.37869 
1 1 1 -12 35 16 o 186.458 19.500 7.7121  1.5170 5.3137  2.9498  8.5746  1.7689 142.826 44.226 195.677 21.712 -52.85059      49.26790 
1 1 1 -12 35 17 o 170.764 21.016 6.5325  1.4877 7.5968  2.9962  6.1842  1.7140 172.099 41.576 164.036 25.501 8.062210       48.77337 
1 1 1 -12 36 1  o 112.096 32.339 2.9546  1.6201 0.4629  2.1381  6.3142  2.4827 83.076  35.171 161.612 37.064 -78.53681      51.09512 
1 1 1 -12 36 2  o 282.353 21.665 17.574  2.5709 15.080  3.4537  20.673  3.8500 255.129 32.719 300.672 30.665 -45.54367      44.84339 
1 1 1 -12 36 3  o 155.558 35.706 5.7989  2.3025 0.0000  0.0000  5.7989  2.3025 ?       ?      155.558 35.706 0.000000       35.70630 
1 1 1 -12 36 4  o 119.710 35.646 3.3990  1.9418 0.0000  0.0000  3.3990  1.9418 ?       ?      119.710 35.646 0.000000       35.64558 
1 1 1 -12 36 5  o 71.317  28.430 0.6757  1.2917 3.0188  1.6929  -2.5886 1.9982 113.359 33.160 58.294  27.977 55.06504       43.38555 
1 1 1 -12 36 6  o 167.915 30.700 6.5511  2.1027 5.8192  2.3711  9.2453  4.5493 155.394 36.629 185.551 54.382 -30.15666      65.56802 
1 1 1 -12 36 7  o 157.358 30.725 5.7770  1.9740 3.7785  2.2323  12.945  4.2277 125.418 38.414 227.294 45.508 -101.8755      59.55339 
1 1 1 -12 36 8  o 99.200  33.087 2.2044  1.6296 3.0033  2.6149  1.6970  2.0838 115.981 41.730 95.852  36.709 20.12861       55.57785 
1 1 1 -12 36 9  o 63.404  27.542 -0.0686 1.3754 0.0001  2.0364  -0.1262 1.8650 76.905  33.460 72.709  31.819 4.195473       46.17397 
1 1 1 -12 36 10 o 314.577 20.317 21.760  2.6922 21.268  3.6734  22.331  3.9571 305.441 28.737 311.776 30.355 -6.335358      41.79998 
1 1 1 -12 36 11 o 110.530 29.830 2.8837  1.4287 1.9860  2.1422  3.6029  1.9175 99.413  37.419 122.106 35.169 -22.69238      51.35161 
1 1 1 -12 36 12 f 72.590  28.882 0.7498  1.3307 -0.0000 2.3928  1.0855  1.6011 82.108  35.983 81.440  31.907 0.6672516      48.09202 
1 1 1 -12 36 13 o 126.075 28.104 3.7398  1.4622 2.9936  2.5076  4.1242  1.7999 113.733 40.871 130.701 32.621 -16.96735      52.29296 
1 1 1 -12 36 14 f 64.366  27.018 0.2840  1.2444 -0.7432 2.2977  0.7104  1.4803 74.564  33.780 74.346  30.155 0.2175369      45.28110 
1 1 1 -12 36 15 o 217.146 24.389 10.690  2.2040 13.403  3.0765  7.8285  3.1590 238.743 31.173 173.656 43.147 65.08693       53.22932 
1 1 1 -12 36 16 o 58.446  24.918 0.1097  1.0862 -2.7496 2.3122  0.9193  1.2304 62.730  30.103 73.179  28.163 -10.44936      41.22369 
1 1 1 -12 37 1  o 256.837 23.135 14.699  2.4893 14.107  3.2161  15.585  3.9315 246.485 31.533 254.796 37.562 -8.311111      49.04297 
1 1 1 -12 37 2  o 79.865  30.587 1.1070  1.4467 1.5494  1.9317  0.5419  2.1833 92.006  35.318 84.156  35.580 7.849739       50.13263 
1 1 1 -12 37 3  o 134.133 28.748 4.2040  1.5839 2.8970  2.1344  5.8060  2.3630 111.851 37.864 154.445 36.674 -42.59489      52.71319 
1 1 1 -12 37 4  o 106.545 31.098 2.6642  1.4904 0.7900  2.1055  4.5463  2.1099 85.531  35.462 136.823 35.946 -51.29150      50.49401 
1 1 1 -12 37 5  o 255.267 28.574 14.881  3.0359 0.0000  0.0000  14.881  3.0359 ?       ?      255.267 28.574 0.000000       28.57371 
1 1 1 -12 37 6  o 199.633 40.680 9.8481  3.3225 0.0000  0.0000  9.8481  3.3225 ?       ?      199.633 40.680 0.000000       40.68042 
1 1 1 -12 37 7  o 285.785 24.051 18.259  2.8838 19.621  3.4892  15.324  5.1227 293.305 28.448 239.951 51.920 53.35376       59.20248 
1 1 1 -12 37 8  o 105.248 37.377 2.4612  2.0913 1.1808  2.4358  6.0517  4.0791 93.535  38.396 151.078 52.310 -57.54264      64.88913 
1 1 1 -12 37 9  o 182.541 32.095 7.8721  2.3905 6.2991  2.8904  11.277  4.2526 157.255 42.424 206.069 49.377 -48.81406      65.09891 
1 1 1 -12 37 10 o 72.957  29.359 0.7049  1.3913 0.4742  2.1544  0.8699  1.8222 82.610  35.153 81.846  33.358 0.7643204      48.46165 
1 1 1 -12 37 11 o 166.061 26.751 6.3607  1.8174 5.0005  2.5968  7.6664  2.5443 140.329 41.075 177.880 35.022 -37.55057      53.97875 
1 1 1 -12 37 12 o 148.653 23.720 5.0378  1.4430 2.7665  2.5516  6.1059  1.7497 110.931 41.017 162.730 26.286 -51.79852      48.71684 
1 1 1 -12 37 13 o 139.391 29.777 4.6186  1.7044 0.0000  0.0000  4.6186  1.7044 ?       ?      139.391 29.777 0.000000       29.77715 
1 1 1 -12 37 14 o 207.545 19.388 9.5450  1.6843 14.921  3.0310  7.1429  2.0260 253.726 28.713 174.916 28.318 78.81033       40.32820 
1 1 1 -12 37 15 o 176.439 26.622 7.1970  1.9273 5.2156  2.8970  8.7703  2.5815 141.118 43.850 191.033 33.109 -49.91562      54.94590 
1 1 1 -12 38 1  o 74.736  30.037 0.7496  1.4542 0.2310  1.8081  1.6995  2.4471 74.805  32.027 98.853  39.218 -24.04835      50.63386 
1 1 1 -12 38 2  f 97.354  31.350 2.1755  1.4689 4.5463  1.8481  -1.8906 2.4203 137.805 32.241 69.660  32.640 68.14543       45.87901 
1 1 1 -12 38 3  f 181.000 24.105 7.4060  1.8017 6.1967  2.5544  8.6033  2.5417 158.038 38.518 190.652 32.655 -32.61388      50.49708 
1 1 1 -12 38 4  o 170.556 23.041 6.5540  1.6216 7.9174  2.1955  4.9175  2.4054 184.711 29.025 140.436 39.037 44.27512       48.64508 
1 1 1 -12 38 5  o 288.496 18.882 18.269  2.2942 13.765  3.2830  22.567  3.2073 241.695 32.932 317.396 24.040 -75.70067      40.77283 
1 1 1 -12 38 6  o 87.112  36.656 0.7297  2.2998 0.0000  0.0000  0.7297  2.2998 ?       ?      87.112  36.656 0.000000       36.65587 
1 1 1 -12 38 7  o 124.256 40.604 3.8043  2.4589 0.0000  0.0000  3.8043  2.4589 ?       ?      124.256 40.604 0.000000       40.60368 
1 1 1 -12 38 8  o 225.398 28.075 11.700  2.6218 0.0000  0.0000  11.700  2.6218 ?       ?      225.398 28.075 0.000000       28.07511 
1 1 1 -12 38 9  f 239.832 25.527 13.066  2.5528 12.469  3.0935  14.341  4.5197 229.402 32.774 233.800 47.273 -4.397598      57.52311 
1 1 1 -12 38 10 f 67.820  30.140 -0.3207 1.7351 1.2891  1.9970  -5.2773 3.5042 88.724  35.356 71.524  34.955 17.19944       49.71861 
1 1 1 -12 38 11 o 101.562 35.548 2.3484  1.8862 2.7202  2.2227  1.3918  3.5652 108.426 38.530 105.738 45.113 2.687981       59.32758 
1 1 1 -12 38 12 o 172.569 37.356 7.4067  2.6509 7.4067  2.6509  0.0000  0.0000 172.569 37.356 ?       ?      0.000000       37.35602 
1 1 1 -12 38 13 o 94.060  32.669 1.9827  1.5916 1.0991  2.4122  2.6639  2.1180 91.313  37.916 106.945 37.654 -15.63206      53.43591 
1 1 1 -12 39 1  o 81.550  33.497 0.8013  1.8554 0.6911  2.6854  0.9020  2.5665 91.762  39.152 92.130  38.743 -0.3679504     55.08049 
1 1 1 -12 39 2  o 83.038  31.412 1.2866  1.5141 1.9422  2.0782  0.5450  2.2104 97.867  36.852 84.036  35.679 13.83071       51.29418 
1 1 1 -12 39 3  o 119.011 30.651 3.3833  1.5542 3.0991  2.1139  3.7176  2.2930 113.818 37.670 122.919 39.126 -9.100670      54.31281 
1 1 1 -12 39 4  o 119.012 28.902 3.3554  1.4422 4.1779  2.0244  2.5078  2.0550 130.392 35.641 105.102 37.081 25.28994       51.43227 
1 1 1 -12 39 5  o 121.520 29.196 3.5053  1.4838 1.3156  1.9254  6.7070  2.3282 88.313  34.866 166.491 34.166 -78.17815      48.81581 
1 1 1 -12 39 6  o 121.750 38.992 3.6560  2.2746 3.6560  2.2746  0.0000  0.0000 121.750 38.992 ?       ?      0.000000       38.99174 
1 1 1 -12 39 7  o 236.220 21.711 12.457  2.1475 8.0099  3.3974  15.416  2.7715 174.114 45.552 260.571 25.440 -86.45665      52.17419 
1 1 1 -12 39 8  o 203.227 30.659 9.7201  2.5566 0.0000  0.0000  9.7201  2.5566 ?       ?      203.227 30.659 0.000000       30.65930 
1 1 1 -12 39 9  o 127.977 33.954 4.0129  1.8705 0.0000  0.0000  4.0129  1.8705 ?       ?      127.977 33.954 0.000000       33.95371 
1 1 1 -12 39 10 o 95.977  34.152 2.0368  1.7468 0.0000  0.0000  2.0368  1.7468 ?       ?      95.977  34.152 0.000000       34.15184 
1 1 1 -12 39 11 o 52.383  24.042 -0.7247 1.2139 -0.4919 2.4330  -0.8018 1.4007 78.219  35.158 56.285  25.830 21.93378       43.62707 
1 1 1 -12 39 12 o 111.201 36.540 2.9932  1.9903 5.1666  2.5363  -0.4902 3.2109 141.804 40.322 88.849  40.120 52.95434       56.88189 
1 1 1 -12 40 3  o 291.529 21.319 18.881  2.6138 13.878  3.4706  25.437  3.9732 240.316 35.140 332.742 28.470 -92.42566      45.22577 
1 1 1 -12 40 4  o 120.867 30.760 3.5042  1.5784 4.8125  2.1853  2.0772  2.2823 139.233 36.585 100.894 38.470 38.33892       53.08860 
1 1 1 -12 40 5  o 127.157 39.020 4.0468  2.3021 0.0000  0.0000  4.0468  2.3021 ?       ?      127.157 39.020 0.000000       39.02030 
1 1 1 -12 40 6  o 481.797 17.476 50.678  3.5658 43.018  5.5031  56.223  4.6816 430.189 30.403 503.086 21.974 -72.89661      37.51229 
1 1 1 -12 40 7  o 53.578  25.228 -1.3828 1.4767 -1.0794 2.1304  -1.6634 2.0487 69.128  31.773 63.799  29.938 5.328423       43.65516 
1 1 1 -12 40 8  o 82.998  32.075 1.2376  1.6011 1.5569  2.6679  1.0579  2.0016 98.472  40.275 85.884  34.979 12.58756       53.34404 
1 1 1 -12 40 9  o 301.418 18.676 20.011  2.3722 21.900  3.6952  18.687  3.0940 307.547 28.703 286.295 25.796 21.25241       38.59142 
1 1 1 -11 0  1  o 900.604 34.026 173.296 12.935 0.0000  0.0000  173.296 12.935 900.604 34.026 900.604 34.026 -0.000000      0.000000 
1 1 1 -11 0  2  o 730.404 23.251 113.555 7.1756 110.530 10.129  116.602 10.167 718.552 33.450 738.330 32.662 -0.000000      0.000000 
1 1 1 -11 0  3  f 509.769 22.741 55.466  4.8872 57.422  6.9254  53.527  6.8977 516.779 31.923 498.465 33.008 0.000000       0.000000 
1 1 1 -11 0  4  o 755.643 23.108 121.503 7.3791 120.809 10.353  122.220 10.521 751.628 32.664 755.950 33.006 0.000000       0.000000 
1 1 1 -11 0  5  o 586.455 22.530 73.296  5.5768 67.664  7.9372  78.786  7.8372 561.019 33.686 606.531 30.691 -0.000000      0.000000 
1 1 1 -11 0  6  o 862.032 23.299 158.040 8.4916 147.755 12.121  167.952 11.900 831.186 34.571 887.092 31.768 -0.000000      0.000000 
1 1 1 -11 0  7  o 1085.09 35.010 251.356 16.050 251.356 16.050  0.0000  0.0000 1085.09 35.010 1085.09 35.010 -0.000000      0.000000 
1 1 1 -11 0  8  f 317.447 31.484 22.047  4.1371 0.0000  0.0000  22.047  4.1371 317.447 31.484 317.447 31.484 -0.000000      0.000000 
1 1 1 -11 0  9  o 758.172 22.474 122.307 7.2015 119.292 9.9872  125.572 10.394 746.936 31.703 766.343 32.155 0.000000       0.000000 
1 1 1 -11 0  10 o 958.189 23.255 195.233 9.4240 199.871 13.059  190.193 13.614 967.729 31.943 943.385 34.177 0.000000       0.000000 
1 1 1 -11 0  11 o 54.223  29.933 0.8607  1.0013 0.1061  1.3257  1.8630  1.5278 47.101  30.032 77.088  38.459 0.000000       0.000000 
1 1 1 -11 0  12 o 225.693 22.082 11.118  2.0642 12.953  2.7874  8.8891  3.0718 242.088 28.186 191.063 43.567 0.000000       0.000000 
1 1 1 -11 0  13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  14 o 337.098 19.826 24.362  2.8080 22.786  4.3449  25.492  3.6796 322.294 32.598 343.532 25.620 -0.000000      0.000000 
1 1 1 -11 0  15 o 957.493 33.368 196.085 13.493 0.0000  0.0000  196.085 13.493 957.493 33.368 957.493 33.368 0.000000       0.000000 
1 1 1 -11 0  16 o 790.071 26.257 133.158 8.7631 133.158 8.7631  0.0000  0.0000 790.071 26.257 790.071 26.257 0.000000       0.000000 
1 1 1 -11 0  17 o 757.772 18.960 122.091 6.0758 127.006 7.5752  113.227 10.173 772.123 23.214 726.491 33.224 0.000000       0.000000 
1 1 1 -11 0  18 o 421.542 16.826 37.878  2.9929 29.481  5.3913  41.619  3.5983 366.581 35.492 441.522 19.328 -0.000000      0.000000 
1 1 1 -11 0  19 o 412.471 21.490 36.445  3.7305 36.445  3.7305  0.0000  0.0000 412.471 21.490 412.471 21.490 0.000000       0.000000 
1 1 1 -11 0  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 0  30 o 247.669 30.992 14.002  3.1128 0.0000  0.0000  14.002  3.1128 247.669 30.992 247.669 30.992 0.000000       0.000000 
1 1 1 -11 1  1  f 807.868 23.404 138.823 8.0071 137.589 11.285  140.075 11.363 802.430 33.208 809.664 33.140 -7.233826      46.91492 
1 1 1 -11 1  2  o 361.563 16.262 27.741  2.4900 24.805  3.4944  30.769  3.5492 340.582 24.389 379.796 22.163 -39.21451      32.95448 
1 1 1 -11 1  3  o 745.555 16.281 117.951 5.1404 113.739 7.2429  122.225 7.2967 731.294 23.387 758.178 22.725 -26.88373      32.60974 
1 1 1 -11 1  4  o 1021.35 17.149 221.407 7.4176 219.028 10.445  223.827 10.536 1014.64 24.307 1025.71 24.256 -11.06702      34.33900 
1 1 1 -11 1  5  f 1743.16 20.710 645.642 15.288 642.138 21.570  649.180 21.672 1735.40 29.349 1744.90 29.328 -9.499268      41.49119 
1 1 1 -11 1  6  f 1628.91 19.993 563.668 13.791 575.463 19.453  551.748 19.556 1643.30 27.953 1608.81 28.703 34.49597       40.06494 
1 1 1 -11 1  7  o 888.690 23.606 168.006 8.8841 172.586 12.535  163.383 12.594 898.758 32.932 874.207 34.017 24.55133       47.34663 
1 1 1 -11 1  8  o 894.369 18.827 169.887 7.1308 171.620 12.125  168.971 8.8169 896.383 31.940 891.229 23.360 5.154541       39.57100 
1 1 1 -11 1  9  o 374.206 17.479 29.731  2.7700 29.496  3.3966  30.198  4.7863 371.831 21.664 374.910 30.408 -3.079071      37.33578 
1 1 1 -11 1  10 f 684.815 15.460 99.521  4.4835 99.413  6.2856  99.632  6.3971 683.718 21.708 684.417 22.071 -0.6997681     30.95778 
1 1 1 -11 1  11 o 271.309 15.218 15.670  1.7415 14.906  2.4259  16.482  2.5015 263.813 21.912 277.568 21.447 -13.75507      30.66129 
1 1 1 -11 1  12 o 863.013 15.660 158.097 5.7232 157.838 7.9875  158.370 8.2046 861.292 21.899 862.632 22.459 -1.340576      31.36802 
1 1 1 -11 1  13 o 1166.52 35.547 291.999 17.560 0.0000  0.0000  291.999 17.560 ?       ?      1166.52 35.547 0.000000       35.54674 
1 1 1 -11 1  14 o 433.458 16.364 39.903  3.0039 38.826  3.5489  42.623  5.6414 427.293 19.612 445.435 30.082 -18.14117      35.91082 
1 1 1 -11 1  15 o 411.125 19.402 35.947  3.3780 0.0000  0.0000  35.947  3.3780 ?       ?      411.125 19.402 0.000000       19.40167 
1 1 1 -11 1  16 o 608.316 15.126 78.572  3.8967 75.662  4.8846  83.665  6.4624 596.425 19.339 626.350 24.363 -29.92480      31.10536 
1 1 1 -11 1  17 o 700.356 13.251 104.091 3.9303 99.212  5.4654  109.317 5.6560 682.964 18.896 716.947 18.629 -33.98303      26.53476 
1 1 1 -11 1  18 o 436.602 13.993 40.471  2.5873 40.522  3.6669  40.420  3.6512 436.291 19.846 435.749 19.786 0.5423584      28.02420 
1 1 1 -11 1  19 o 926.319 20.308 182.859 7.9668 204.202 9.9721  145.204 13.246 977.617 24.087 818.843 38.197 158.7738       45.15732 
1 1 1 -11 1  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 1  30 o 88.410  29.950 1.6808  1.3354 0.0000  0.0000  1.6808  1.3354 ?       ?      88.410  29.950 0.000000       29.94995 
1 1 1 -11 2  1  o 761.512 23.245 123.344 7.4963 122.931 10.503  123.773 10.703 758.575 32.694 761.060 33.207 -2.485229      46.60035 
1 1 1 -11 2  2  o 852.150 16.682 154.112 6.0200 158.860 8.4765  149.279 8.5511 864.266 23.159 837.648 24.106 26.61835       33.42795 
1 1 1 -11 2  3  o 477.019 15.923 48.281  3.2166 47.221  4.5048  49.383  4.5945 471.267 22.572 481.940 22.511 -10.67236      31.87860 
1 1 1 -11 2  4  o 350.277 15.962 26.033  2.3679 26.006  3.3056  26.063  3.3935 349.022 22.484 349.332 23.068 -0.3107605     32.21259 
1 1 1 -11 2  5  o 1206.65 17.888 309.103 9.1406 297.976 12.828  320.579 13.028 1183.12 25.603 1227.31 25.065 -44.18896      35.82974 
1 1 1 -11 2  6  o 1193.86 17.777 302.586 8.9879 303.857 12.627  301.281 12.797 1194.86 24.953 1189.68 25.400 5.184448       35.60614 
1 1 1 -11 2  7  o 256.373 18.723 14.032  2.0188 12.238  2.4251  18.080  3.6434 238.600 24.341 289.581 30.151 -50.98114      38.75023 
1 1 1 -11 2  8  o 300.921 22.564 19.365  2.8546 0.0000  0.0000  19.365  2.8546 ?       ?      300.921 22.564 0.000000       22.56447 
1 1 1 -11 2  9  o 858.090 18.424 156.382 6.6953 157.406 8.1764  154.299 11.664 860.268 22.443 849.683 32.416 10.58502       39.42682 
1 1 1 -11 2  10 o 843.596 15.889 151.041 5.6764 152.934 7.9083  149.029 8.1525 847.959 22.023 836.892 23.003 11.06689       31.84510 
1 1 1 -11 2  11 o 522.517 14.884 57.935  3.2937 59.554  4.5528  56.158  4.7707 529.279 20.312 513.797 21.925 15.48218       29.88801 
1 1 1 -11 2  12 o 1041.02 16.301 230.092 7.1864 232.791 9.9542  227.154 10.386 1045.84 22.475 1032.80 23.746 13.04700       32.69505 
1 1 1 -11 2  13 o 479.216 31.144 49.329  6.2861 0.0000  0.0000  49.329  6.2861 ?       ?      479.216 31.144 0.000000       31.14369 
1 1 1 -11 2  14 o 269.274 16.412 15.456  1.8626 15.923  2.1885  14.231  3.5475 273.011 19.048 255.529 33.596 17.48126       38.62046 
1 1 1 -11 2  15 f 322.946 15.259 22.144  2.0868 22.415  3.3380  21.970  2.6738 323.304 24.563 320.780 19.779 2.523987       31.53662 
1 1 1 -11 2  16 o 467.961 24.877 46.845  4.9123 0.0000  0.0000  46.845  4.9123 ?       ?      467.961 24.877 0.000000       24.87652 
1 1 1 -11 2  17 o 202.778 15.800 8.7867  1.3461 7.9318  1.8390  9.7733  1.9756 191.533 23.142 213.040 22.225 -21.50693      32.08582 
1 1 1 -11 2  18 o 650.217 13.820 89.757  3.8054 97.225  6.0039  84.742  4.9199 675.576 20.985 631.155 18.407 44.42108       27.91403 
1 1 1 -11 2  19 o 257.351 17.963 14.162  1.9454 16.422  2.3687  9.4786  3.4103 276.858 20.345 205.564 40.614 71.29417       45.42506 
1 1 1 -11 2  20 o 346.483 19.881 25.689  2.9049 32.483  3.8203  16.375  4.4728 389.043 23.295 271.416 40.123 117.6271       46.39502 
1 1 1 -11 2  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 2  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 2  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 2  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 2  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 2  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 2  27 o 146.930 25.836 4.8499  1.5489 0.0000  0.0000  4.8499  1.5489 ?       ?      146.930 25.836 0.000000       25.83618 
1 1 1 -11 2  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 2  29 o 190.947 18.166 7.9580  1.4513 0.0000  0.0000  7.9580  1.4513 ?       ?      190.947 18.166 0.000000       18.16617 
1 1 1 -11 2  30 o 131.637 19.380 3.8425  1.0481 0.0000  0.0000  3.8425  1.0481 ?       ?      131.637 19.380 0.000000       19.38047 
1 1 1 -11 3  1  o 209.922 25.151 9.5127  2.1914 8.6032  3.1555  10.360  3.0456 196.936 39.214 217.581 34.180 -20.64520      52.01915 
1 1 1 -11 3  2  o 706.518 16.211 105.926 4.8505 111.299 6.8193  100.424 6.9006 723.523 22.256 687.075 23.716 36.44855       32.52336 
1 1 1 -11 3  3  o 911.359 16.744 176.274 6.4624 174.019 9.0565  178.613 9.2244 904.484 23.644 916.322 23.771 -11.83856      33.52730 
1 1 1 -11 3  4  o 526.611 15.793 58.840  3.5221 56.323  4.9189  61.489  5.0456 514.678 22.568 537.807 22.154 -23.12897      31.62411 
1 1 1 -11 3  5  o 839.890 16.414 149.698 5.8383 147.446 8.1575  152.063 8.3595 832.645 23.134 845.548 23.345 -12.90302      32.86632 
1 1 1 -11 3  6  o 838.947 16.319 149.362 5.7980 150.148 8.0996  148.536 8.3033 840.278 22.761 835.644 23.463 4.633545       32.68936 
1 1 1 -11 3  7  o 469.974 17.753 46.894  3.5335 47.819  4.2741  44.896  6.2803 474.315 21.278 457.281 32.645 17.03387       38.96739 
1 1 1 -11 3  8  o 767.547 22.883 125.311 7.4380 0.0000  0.0000  125.311 7.4380 ?       ?      767.547 22.883 0.000000       22.88287 
1 1 1 -11 3  9  o 622.166 17.531 82.190  4.6192 82.783  5.5989  80.928  8.1737 624.010 21.187 614.706 31.504 9.304688       37.96591 
1 1 1 -11 3  10 o 257.845 15.288 14.158  1.6620 15.689  2.2743  12.402  2.4347 270.973 19.959 240.155 24.272 30.81738       31.42441 
1 1 1 -11 3  11 o 492.115 14.749 51.388  3.0738 50.762  4.2178  52.098  4.4888 488.637 20.383 494.919 21.417 -6.282532      29.56545 
1 1 1 -11 3  12 o 1144.22 16.780 278.024 8.1312 289.164 11.219  265.698 11.801 1165.53 22.730 1116.64 24.956 48.89246       33.75576 
1 1 1 -11 3  13 o 705.982 21.856 106.076 6.5344 0.0000  0.0000  106.076 6.5344 ?       ?      705.982 21.856 0.000000       21.85575 
1 1 1 -11 3  14 o 313.988 19.367 21.042  2.5627 20.954  3.2961  21.178  4.0750 312.482 25.120 313.050 31.151 -0.5683899     40.01779 
1 1 1 -11 3  15 f 722.729 16.326 110.949 4.9968 121.002 7.9151  104.287 6.4430 753.226 24.813 699.853 21.739 53.37286       32.98908 
1 1 1 -11 3  16 o 189.178 19.867 7.6969  1.5679 0.0000  0.0000  7.6969  1.5679 ?       ?      189.178 19.867 0.000000       19.86693 
1 1 1 -11 3  17 o 648.501 14.610 89.292  4.0125 94.697  6.0589  85.070  5.3551 666.794 21.456 632.236 20.001 34.55829       29.33268 
1 1 1 -11 3  18 o 538.377 20.620 61.736  4.7014 61.736  4.7014  0.0000  0.0000 538.377 20.620 ?       ?      0.000000       20.62039 
1 1 1 -11 3  19 o 193.741 18.141 8.0585  1.4711 8.7692  1.8017  6.6368  2.5481 201.659 21.425 172.182 36.099 29.47725       41.97860 
1 1 1 -11 3  20 o 350.447 18.715 26.249  2.7674 28.857  3.5847  22.401  4.3538 366.608 23.209 320.547 32.523 46.06052       39.95490 
1 1 1 -11 3  21 o 330.743 29.260 23.773  4.0561 0.0000  0.0000  23.773  4.0561 ?       ?      330.743 29.260 0.000000       29.26011 
1 1 1 -11 3  22 o 193.215 29.782 8.2568  2.3586 0.0000  0.0000  8.2568  2.3586 ?       ?      193.215 29.782 0.000000       29.78200 
1 1 1 -11 3  23 o 781.940 29.094 132.598 9.6343 0.0000  0.0000  132.598 9.6343 ?       ?      781.940 29.094 0.000000       29.09410 
1 1 1 -11 3  24 o 139.199 27.817 4.3438  1.5824 0.0000  0.0000  4.3438  1.5824 ?       ?      139.199 27.817 0.000000       27.81695 
1 1 1 -11 3  25 o 451.671 25.215 44.356  4.8039 0.0000  0.0000  44.356  4.8039 ?       ?      451.671 25.215 0.000000       25.21547 
1 1 1 -11 3  26 o 91.205  26.406 1.8589  1.0784 0.0000  0.0000  1.8589  1.0784 ?       ?      91.205  26.406 0.000000       26.40581 
1 1 1 -11 3  27 o 123.944 21.192 3.4137  1.0724 0.0000  0.0000  3.4137  1.0724 ?       ?      123.944 21.192 0.000000       21.19200 
1 1 1 -11 3  28 o 181.578 18.668 7.1905  1.4150 0.0000  0.0000  7.1905  1.4150 ?       ?      181.578 18.668 0.000000       18.66752 
1 1 1 -11 3  29 o 167.469 18.684 6.1485  1.3025 0.0000  0.0000  6.1485  1.3025 ?       ?      167.469 18.684 0.000000       18.68441 
1 1 1 -11 3  30 o 216.025 34.115 10.908  3.0174 0.0000  0.0000  10.908  3.0174 ?       ?      216.025 34.115 0.000000       34.11494 
1 1 1 -11 4  1  f 529.343 22.373 59.584  5.0153 63.503  7.0335  55.530  7.1536 544.628 30.619 508.636 33.396 35.99155       45.30780 
1 1 1 -11 4  2  o 1430.72 19.087 434.757 11.565 446.039 16.235  423.136 16.477 1447.14 26.491 1409.14 27.611 37.99854       38.26469 
1 1 1 -11 4  3  o 736.327 16.178 115.052 5.0448 109.722 7.0397  120.679 7.2331 718.257 23.144 753.334 22.672 -35.07648      32.39829 
1 1 1 -11 4  4  o 764.265 16.198 123.948 5.2425 128.409 7.3379  119.297 7.4927 777.147 22.296 748.878 23.626 28.26849       32.48497 
1 1 1 -11 4  5  o 504.875 15.582 54.082  3.3316 55.775  4.6609  52.313  4.7639 512.256 21.485 495.993 22.680 16.26242       31.24092 
1 1 1 -11 4  6  o 659.113 15.737 92.179  4.3926 89.030  6.1044  95.561  6.3256 647.085 22.276 670.397 22.280 -23.31183      31.50626 
1 1 1 -11 4  7  o 578.919 17.753 71.156  4.3524 71.659  5.2551  70.059  7.7669 580.609 21.372 571.802 32.205 8.806824       38.65189 
1 1 1 -11 4  8  o 915.333 23.648 178.277 9.1669 0.0000  0.0000  178.277 9.1669 ?       ?      915.333 23.648 0.000000       23.64818 
1 1 1 -11 4  9  o 1431.82 21.237 435.874 12.877 436.010 15.603  435.583 22.802 1430.68 25.753 1425.08 37.783 5.596436       45.72518 
1 1 1 -11 4  10 f 536.859 15.008 61.158  3.4122 64.767  4.6594  56.985  5.0107 552.025 19.931 517.496 22.864 34.52838       30.33164 
1 1 1 -11 4  11 o 499.984 16.830 53.081  3.5636 52.259  5.6844  53.613  4.5741 494.245 27.264 502.041 21.514 -7.795807      34.72986 
1 1 1 -11 4  12 o 384.983 16.432 31.471  2.6790 31.577  4.1802  31.396  3.4899 383.999 25.856 383.544 21.574 0.4550171      33.67417 
1 1 1 -11 4  13 o 578.416 16.441 71.049  4.0273 68.698  6.3009  72.673  5.2366 567.492 26.218 584.431 21.158 -16.93903      33.69024 
1 1 1 -11 4  14 o 511.812 25.005 55.860  5.4198 55.860  5.4198  0.0000  0.0000 511.812 25.005 ?       ?      0.000000       25.00490 
1 1 1 -11 4  15 o 618.576 15.886 81.263  4.1614 82.419  6.4756  80.450  5.4315 621.670 24.597 614.812 20.861 6.858215       32.25169 
1 1 1 -11 4  16 o 1217.97 18.204 315.384 9.3898 313.933 14.802  316.361 12.147 1211.48 28.851 1218.20 23.545 -6.723267      37.23871 
1 1 1 -11 4  17 o 681.305 19.759 98.780  5.7009 0.0000  0.0000  98.780  5.7009 ?       ?      681.305 19.759 0.000000       19.75853 
1 1 1 -11 4  18 o 314.741 16.881 21.119  2.2419 23.214  2.7280  16.763  3.9346 329.640 19.631 277.103 34.258 52.53647       39.48409 
1 1 1 -11 4  19 o 341.177 20.780 24.909  2.9881 24.909  2.9881  0.0000  0.0000 341.177 20.780 ?       ?      0.000000       20.77985 
1 1 1 -11 4  20 o 751.204 24.711 120.879 7.8613 120.879 7.8613  0.0000  0.0000 751.204 24.711 ?       ?      0.000000       24.71110 
1 1 1 -11 4  21 o 469.907 28.055 47.737  5.5575 0.0000  0.0000  47.737  5.5575 ?       ?      469.907 28.055 0.000000       28.05491 
1 1 1 -11 4  22 o 358.198 27.046 27.825  4.0725 0.0000  0.0000  27.825  4.0725 ?       ?      358.198 27.046 0.000000       27.04621 
1 1 1 -11 4  23 o 219.810 26.477 10.578  2.4151 0.0000  0.0000  10.578  2.4151 ?       ?      219.810 26.477 0.000000       26.47681 
1 1 1 -11 4  24 o 80.876  27.091 1.3412  1.0926 0.0000  0.0000  1.3412  1.0926 ?       ?      80.876  27.091 0.000000       27.09141 
1 1 1 -11 4  25 o 362.705 24.679 28.625  3.7681 0.0000  0.0000  28.625  3.7681 ?       ?      362.705 24.679 0.000000       24.67860 
1 1 1 -11 4  26 o 150.901 26.247 5.1046  1.6164 0.0000  0.0000  5.1046  1.6164 ?       ?      150.901 26.247 0.000000       26.24659 
1 1 1 -11 4  27 o 83.520  30.079 1.3385  1.3589 0.0000  0.0000  1.3385  1.3589 ?       ?      83.520  30.079 0.000000       30.07893 
1 1 1 -11 4  28 o 212.336 33.191 10.347  2.8869 0.0000  0.0000  10.347  2.8869 ?       ?      212.336 33.191 0.000000       33.19056 
1 1 1 -11 4  29 o 166.932 35.402 6.6013  2.4251 0.0000  0.0000  6.6013  2.4251 ?       ?      166.932 35.402 0.000000       35.40194 
1 1 1 -11 4  30 o 200.049 21.935 8.8643  1.8278 0.0000  0.0000  8.8643  1.8278 ?       ?      200.049 21.935 0.000000       21.93493 
1 1 1 -11 5  1  o 749.202 18.912 119.219 6.0004 115.953 10.189  120.954 7.4245 736.629 32.661 754.041 23.250 -17.41138      40.09133 
1 1 1 -11 5  2  o 1127.41 20.260 270.076 9.6731 279.708 11.807  250.417 16.868 1146.46 24.319 1081.29 36.837 65.17334       44.14035 
1 1 1 -11 5  3  o 515.473 15.786 56.381  3.4460 54.159  4.8053  58.733  4.9443 504.673 22.484 525.579 22.214 -20.90634      31.60670 
1 1 1 -11 5  4  o 520.336 18.051 57.486  3.9776 59.252  4.8213  53.723  7.0387 527.961 21.563 500.281 33.415 27.68018       39.76854 
1 1 1 -11 5  5  o 973.524 16.814 201.158 6.9321 207.188 9.6694  194.782 9.9432 986.964 23.134 956.690 24.542 30.27374       33.72690 
1 1 1 -11 5  6  o 926.109 16.504 182.030 6.4729 182.283 8.9951  181.758 9.3218 925.756 22.944 924.263 23.815 1.492493       33.06964 
1 1 1 -11 5  7  o 649.954 21.781 89.817  5.9953 88.226  8.1289  91.716  8.8778 643.013 29.852 655.237 31.994 -12.22363      43.75743 
1 1 1 -11 5  8  o 551.542 22.271 64.697  5.2018 0.0000  0.0000  64.697  5.2018 ?       ?      551.542 22.271 0.000000       22.27068 
1 1 1 -11 5  9  o 1137.29 24.809 275.425 11.949 0.0000  0.0000  275.425 11.949 ?       ?      1137.29 24.809 0.000000       24.80877 
1 1 1 -11 5  10 o 760.964 21.240 123.142 6.8449 120.797 9.1730  126.089 10.282 752.335 28.791 768.017 31.613 -15.68213      42.75842 
1 1 1 -11 5  11 o 654.044 20.331 90.953  5.6312 84.533  7.4439  99.542  8.6103 629.394 27.928 682.623 29.785 -53.22870      40.82987 
1 1 1 -11 5  12 o 359.271 16.420 27.408  2.4983 28.386  3.8988  26.727  3.2543 364.039 25.450 353.733 21.830 10.30569       33.52982 
1 1 1 -11 5  13 o 566.417 16.458 68.135  3.9478 69.797  6.1573  66.975  5.1443 572.117 25.413 560.970 21.654 11.14685       33.38793 
1 1 1 -11 5  14 o 692.657 25.874 102.368 7.5897 102.368 7.5897  0.0000  0.0000 692.657 25.874 ?       ?      0.000000       25.87412 
1 1 1 -11 5  15 o 469.421 15.540 46.793  3.0892 49.403  4.7038  44.815  4.0965 481.501 23.068 458.836 21.082 22.66565       31.25007 
1 1 1 -11 5  16 o 433.778 14.587 39.947  2.6796 39.783  3.9830  40.083  3.6218 431.641 21.861 434.047 19.704 -2.405975      29.43008 
1 1 1 -11 5  17 o 260.461 14.095 14.444  1.5490 15.099  2.3145  13.912  2.0846 265.500 20.750 254.964 19.453 10.53589       28.44282 
1 1 1 -11 5  18 o 327.224 29.469 23.131  4.0399 0.0000  0.0000  23.131  4.0399 ?       ?      327.224 29.469 0.000000       29.46942 
1 1 1 -11 5  19 o 160.889 18.703 5.5857  1.2505 4.2416  1.5847  7.8045  2.0360 138.220 28.031 189.206 26.105 -50.98563      38.30437 
1 1 1 -11 5  20 o 786.735 24.837 132.629 8.2750 132.629 8.2750  0.0000  0.0000 786.735 24.837 ?       ?      0.000000       24.83689 
1 1 1 -11 5  21 o 323.892 28.697 22.794  3.8954 22.794  3.8954  0.0000  0.0000 323.892 28.697 ?       ?      0.000000       28.69665 
1 1 1 -11 5  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 5  23 o 131.479 29.267 3.8924  1.5877 0.0000  0.0000  3.8924  1.5877 ?       ?      131.479 29.267 0.000000       29.26747 
1 1 1 -11 5  24 o 151.927 27.722 5.1549  1.7179 0.0000  0.0000  5.1549  1.7179 ?       ?      151.927 27.722 0.000000       27.72180 
1 1 1 -11 5  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 5  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 5  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 5  28 o 308.342 21.526 20.773  2.7933 0.0000  0.0000  20.773  2.7933 ?       ?      308.342 21.526 0.000000       21.52639 
1 1 1 -11 5  29 o 106.022 26.078 2.5857  1.1628 0.0000  0.0000  2.5857  1.1628 ?       ?      106.022 26.078 0.000000       26.07823 
1 1 1 -11 5  30 o 287.253 17.911 17.947  2.1680 0.0000  0.0000  17.947  2.1680 ?       ?      287.253 17.911 0.000000       17.91108 
1 1 1 -11 6  1  o 686.447 23.212 100.247 6.7479 0.0000  0.0000  100.247 6.7479 ?       ?      686.447 23.212 0.000000       23.21211 
1 1 1 -11 6  2  o 538.405 18.260 61.557  4.1635 61.727  5.0471  61.195  7.3663 538.786 22.120 534.156 32.722 4.630066       39.49664 
1 1 1 -11 6  3  o 1118.61 17.512 265.648 8.2957 254.711 11.576  277.194 11.894 1093.86 24.989 1141.21 24.611 -47.34839      35.07369 
1 1 1 -11 6  4  o 406.064 18.334 35.014  3.1529 34.978  5.2137  35.035  3.9587 403.673 30.729 405.186 23.167 -1.513153      38.48317 
1 1 1 -11 6  5  o 853.056 18.841 154.556 6.8065 158.204 11.356  152.510 8.5032 860.809 31.151 846.644 23.716 14.16528       39.15154 
1 1 1 -11 6  6  o 777.964 18.399 128.530 6.0618 117.852 9.9855  134.761 7.6283 742.807 31.743 796.004 22.629 -53.19678      38.98326 
1 1 1 -11 6  7  o 273.727 22.199 16.038  2.5512 16.512  3.3695  15.400  3.9053 276.710 29.195 265.931 35.568 10.77908       46.01563 
1 1 1 -11 6  8  o 1015.93 19.069 219.263 8.2043 222.211 13.425  217.505 10.365 1019.97 31.079 1010.83 24.213 9.134949       39.39788 
1 1 1 -11 6  9  o 510.350 31.145 55.851  6.6991 0.0000  0.0000  55.851  6.6991 ?       ?      510.350 31.145 0.000000       31.14488 
1 1 1 -11 6  10 o 717.283 20.938 109.406 6.3600 106.665 8.4770  112.935 9.6199 707.002 28.313 726.872 31.251 -19.86987      42.16930 
1 1 1 -11 6  11 o 507.444 16.666 54.677  3.5814 49.641  5.5662  58.235  4.6784 481.597 27.405 523.250 21.113 -41.65341      34.59453 
1 1 1 -11 6  12 o 603.901 19.847 77.544  5.0757 76.036  6.6689  79.621  7.8253 597.051 26.376 610.255 30.279 -13.20361      40.15608 
1 1 1 -11 6  13 o 167.610 18.016 6.0381  1.2587 5.6636  1.9465  6.3072  1.6502 160.261 29.777 170.500 23.477 -10.23888      37.91854 
1 1 1 -11 6  14 o 565.491 24.807 68.194  5.9407 68.194  5.9407  0.0000  0.0000 565.491 24.807 ?       ?      0.000000       24.80680 
1 1 1 -11 6  15 o 816.768 16.553 141.722 5.7256 143.825 8.7037  140.117 7.6020 821.077 25.031 811.086 22.132 9.990845       33.41192 
1 1 1 -11 6  16 f 142.572 17.590 4.3854  1.0395 5.1168  1.5899  3.8394  1.3738 152.838 25.460 131.927 25.512 20.91112       36.04258 
1 1 1 -11 6  17 o 344.198 14.053 25.151  2.0485 25.990  3.0206  24.437  2.7874 348.782 20.541 338.310 19.539 10.47217       28.34948 
1 1 1 -11 6  18 o 511.673 28.404 56.253  6.1307 0.0000  0.0000  56.253  6.1307 ?       ?      511.673 28.404 0.000000       28.40411 
1 1 1 -11 6  19 o 652.181 28.314 91.282  7.8202 0.0000  0.0000  91.282  7.8202 ?       ?      652.181 28.314 0.000000       28.31418 
1 1 1 -11 6  20 o 1297.12 33.643 364.277 18.481 0.0000  0.0000  364.277 18.481 ?       ?      1297.12 33.643 0.000000       33.64333 
1 1 1 -11 6  21 o 466.001 26.231 46.854  5.1555 0.0000  0.0000  46.854  5.1555 ?       ?      466.001 26.231 0.000000       26.23085 
1 1 1 -11 6  22 o 551.882 25.840 65.633  6.0392 0.0000  0.0000  65.633  6.0392 ?       ?      551.882 25.840 0.000000       25.83994 
1 1 1 -11 6  23 o 260.573 25.623 14.788  2.7910 0.0000  0.0000  14.788  2.7910 ?       ?      260.573 25.623 0.000000       25.62342 
1 1 1 -11 6  24 o 361.610 24.603 28.367  3.7453 0.0000  0.0000  28.367  3.7453 ?       ?      361.610 24.603 0.000000       24.60305 
1 1 1 -11 6  25 o 108.734 28.629 2.6779  1.3364 0.0000  0.0000  2.6779  1.3364 ?       ?      108.734 28.629 0.000000       28.62871 
1 1 1 -11 6  26 o 176.973 25.269 6.9568  1.8401 0.0000  0.0000  6.9568  1.8401 ?       ?      176.973 25.269 0.000000       25.26911 
1 1 1 -11 6  27 o 303.065 21.978 20.034  2.8016 0.0000  0.0000  20.034  2.8016 ?       ?      303.065 21.978 0.000000       21.97831 
1 1 1 -11 6  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 6  29 o 63.949  24.442 0.6530  0.9227 0.0000  0.0000  0.6530  0.9227 ?       ?      63.949  24.442 0.000000       24.44196 
1 1 1 -11 6  30 o 106.827 23.707 2.6072  1.0445 0.0000  0.0000  2.6072  1.0445 ?       ?      106.827 23.707 0.000000       23.70692 
1 1 1 -11 7  1  o 904.351 24.073 174.073 9.2197 0.0000  0.0000  174.073 9.2197 ?       ?      904.351 24.073 0.000000       24.07330 
1 1 1 -11 7  2  o 125.105 33.934 3.4577  1.8434 1.4201  2.4195  6.2767  2.8460 101.642 39.388 167.667 40.529 -66.02522      56.51568 
1 1 1 -11 7  3  o 1590.12 22.856 537.829 15.391 503.804 26.105  555.957 19.055 1531.73 40.244 1614.92 27.862 -83.18604      48.94771 
1 1 1 -11 7  4  o 423.149 18.101 38.022  3.2436 37.931  5.3256  38.076  4.0897 420.540 30.102 422.468 22.945 -1.927643      37.85003 
1 1 1 -11 7  5  o 615.156 18.057 80.356  4.7040 83.426  7.7793  78.587  5.9062 625.335 29.375 607.814 22.945 17.52069       37.27451 
1 1 1 -11 7  6  o 791.912 18.337 133.186 6.1497 133.562 10.104  132.964 7.7508 791.033 30.161 790.557 23.151 0.4759521      38.02168 
1 1 1 -11 7  7  o 413.233 21.145 36.397  3.6879 34.553  4.9180  38.767  5.5746 401.396 29.130 424.911 31.198 -23.51501      42.68293 
1 1 1 -11 7  8  o 1579.97 22.269 530.995 14.900 535.668 24.742  528.336 18.664 1580.60 36.962 1573.93 28.001 6.676270       46.37131 
1 1 1 -11 7  9  o 175.918 25.876 6.7330  1.8701 0.0000  0.0000  6.7330  1.8701 ?       ?      175.918 25.876 0.000000       25.87572 
1 1 1 -11 7  10 o 823.792 17.757 144.146 6.1948 144.475 9.8648  143.932 7.9601 822.756 28.312 822.340 22.857 0.4165039      36.38725 
1 1 1 -11 7  11 o 1119.57 22.878 266.841 10.847 261.133 14.459  274.188 16.404 1105.09 30.896 1131.13 34.244 -26.03174      46.12202 
1 1 1 -11 7  12 o 802.594 20.687 137.024 7.0312 136.658 9.2922  137.515 10.755 800.136 27.423 801.565 31.682 -1.429871      41.90165 
1 1 1 -11 7  13 o 378.599 19.184 30.554  3.0658 29.555  3.9770  32.017  4.8132 371.401 25.439 385.837 29.684 -14.43616      39.09338 
1 1 1 -11 7  14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 7  15 o 507.620 15.491 54.721  3.3302 56.939  4.9498  52.886  4.5012 516.963 22.609 498.391 21.326 18.57196       31.08033 
1 1 1 -11 7  16 o 788.019 15.792 131.901 5.2702 128.420 7.8216  134.795 7.1325 776.011 23.800 795.629 21.168 -19.61792      31.85205 
1 1 1 -11 7  17 o 790.991 15.552 132.912 5.2096 139.804 7.7576  127.250 7.0309 809.782 22.621 772.827 21.483 36.95477       31.19649 
1 1 1 -11 7  18 o 526.009 16.803 58.834  3.7431 61.989  4.7208  53.493  6.1427 539.347 20.668 498.629 29.217 40.71747       35.78846 
1 1 1 -11 7  19 o 427.975 16.491 38.967  2.9889 36.505  3.7937  42.997  4.8531 412.952 21.770 447.339 25.726 -34.38687      33.70118 
1 1 1 -11 7  20 o 418.837 17.379 37.374  3.0826 41.391  4.1370  32.360  4.6222 439.350 22.308 386.763 28.419 52.58710       36.12861 
1 1 1 -11 7  21 o 203.815 20.713 8.9740  1.7630 9.4624  2.6847  8.6037  2.3377 206.745 31.673 197.708 28.763 9.036713       42.78426 
1 1 1 -11 7  22 o 222.800 26.664 10.856  2.4659 0.0000  0.0000  10.856  2.4659 ?       ?      222.800 26.664 0.000000       26.66417 
1 1 1 -11 7  23 o 393.833 24.969 33.584  4.1428 0.0000  0.0000  33.584  4.1428 ?       ?      393.833 24.969 0.000000       24.96856 
1 1 1 -11 7  24 o 335.120 24.593 24.390  3.4659 0.0000  0.0000  24.390  3.4659 ?       ?      335.120 24.593 0.000000       24.59295 
1 1 1 -11 7  25 o 262.681 24.475 15.088  2.6914 0.0000  0.0000  15.088  2.6914 ?       ?      262.681 24.475 0.000000       24.47523 
1 1 1 -11 7  26 o 99.300  28.775 2.2224  1.2801 0.0000  0.0000  2.2224  1.2801 ?       ?      99.300  28.775 0.000000       28.77465 
1 1 1 -11 7  27 o 308.181 21.847 20.712  2.8329 0.0000  0.0000  20.712  2.8329 ?       ?      308.181 21.847 0.000000       21.84733 
1 1 1 -11 7  28 o 185.814 22.955 7.6490  1.7679 0.0000  0.0000  7.6490  1.7679 ?       ?      185.814 22.955 0.000000       22.95458 
1 1 1 -11 7  29 o 123.487 26.280 3.5013  1.3321 0.0000  0.0000  3.5013  1.3321 ?       ?      123.487 26.280 0.000000       26.28012 
1 1 1 -11 7  30 o 164.171 24.737 6.0784  1.6665 0.0000  0.0000  6.0784  1.6665 ?       ?      164.171 24.737 0.000000       24.73695 
1 1 1 -11 8  1  o 760.042 23.457 122.931 7.5500 0.0000  0.0000  122.931 7.5500 ?       ?      760.042 23.457 0.000000       23.45671 
1 1 1 -11 8  2  o 342.283 22.876 25.034  3.2969 25.902  4.4981  24.027  4.8464 346.916 30.942 333.283 34.853 13.63281       46.60593 
1 1 1 -11 8  3  o 1320.02 21.096 370.419 11.793 351.657 19.849  380.655 14.661 1281.08 36.586 1336.79 25.897 -55.71509      44.82390 
1 1 1 -11 8  4  o 602.718 18.041 77.143  4.6050 65.603  7.5413  84.005  5.8150 553.127 32.335 628.530 21.847 -75.40363      39.02320 
1 1 1 -11 8  5  o 1438.98 21.572 440.280 13.146 435.142 22.022  443.124 16.385 1425.08 36.490 1441.99 26.831 -16.91309      45.29298 
1 1 1 -11 8  6  o 1387.28 21.092 409.155 12.392 395.635 20.577  416.847 15.522 1359.08 35.752 1398.74 26.203 -39.66223      44.32626 
1 1 1 -11 8  7  o 605.651 21.089 77.989  5.4092 77.915  7.2786  78.080  8.0840 604.355 28.439 603.641 31.734 0.7145386      42.61275 
1 1 1 -11 8  8  o 1183.05 19.758 297.453 9.8990 305.668 16.227  292.585 12.493 1195.70 32.046 1171.99 25.170 23.70898       40.74940 
1 1 1 -11 8  9  o 362.270 17.209 27.870  2.6402 26.713  4.1947  28.629  3.3977 352.696 28.323 366.182 22.012 -13.48679      35.87092 
1 1 1 -11 8  10 o 929.966 23.239 184.124 9.1523 0.0000  0.0000  184.124 9.1523 ?       ?      929.966 23.239 0.000000       23.23921 
1 1 1 -11 8  11 o 848.594 21.155 153.197 7.6026 145.057 10.024  164.223 11.666 824.115 28.721 876.125 31.441 -52.01080      42.58403 
1 1 1 -11 8  12 o 348.720 25.417 26.066  3.7278 26.066  3.7278  0.0000  0.0000 348.720 25.417 ?       ?      0.000000       25.41738 
1 1 1 -11 8  13 o 1258.53 19.482 336.834 10.383 333.078 16.589  339.254 13.314 1247.19 31.409 1261.30 24.925 -14.11414      40.09729 
1 1 1 -11 8  14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 8  15 o 248.236 15.748 13.140  1.6469 12.271  2.4791  13.826  2.2034 238.562 24.905 254.040 20.660 -15.47878      32.35889 
1 1 1 -11 8  16 o 503.734 16.892 53.926  3.6035 50.877  4.5298  59.180  5.9469 488.687 21.888 525.591 26.807 -36.90408      34.60738 
1 1 1 -11 8  17 f 183.044 14.000 7.1549  1.0770 8.1899  1.8527  6.6267  1.3237 194.655 22.914 175.599 18.057 19.05592       29.17335 
1 1 1 -11 8  18 o 266.322 16.692 15.141  1.8731 13.644  2.3978  17.487  3.0002 251.838 22.727 284.918 25.122 -33.07974      33.87688 
1 1 1 -11 8  19 o 408.520 16.289 35.506  2.8181 32.218  3.6248  40.531  4.4807 387.745 22.167 434.513 24.449 -46.76822      33.00211 
1 1 1 -11 8  20 o 175.790 20.704 6.6911  1.5118 5.4070  2.2126  7.8155  2.0705 154.934 34.597 188.945 26.613 -34.01088      43.64825 
1 1 1 -11 8  21 o 191.038 28.548 8.0430  2.2388 0.0000  0.0000  8.0430  2.2388 ?       ?      191.038 28.548 0.000000       28.54830 
1 1 1 -11 8  22 o 144.485 25.985 4.6327  1.5315 9.2982  2.7208  2.4690  1.8529 204.285 32.542 107.799 35.248 96.48581       47.97300 
1 1 1 -11 8  23 o 217.620 25.809 10.366  2.3322 0.0000  0.0000  10.366  2.3322 ?       ?      217.620 25.809 0.000000       25.80883 
1 1 1 -11 8  24 f 357.009 24.359 27.666  3.6608 0.0000  0.0000  27.666  3.6608 ?       ?      357.009 24.359 0.000000       24.35879 
1 1 1 -11 8  25 o 438.097 23.393 41.687  4.3245 0.0000  0.0000  41.687  4.3245 ?       ?      438.097 23.393 0.000000       23.39350 
1 1 1 -11 8  26 o 292.171 22.639 18.635  2.7793 0.0000  0.0000  18.635  2.7793 ?       ?      292.171 22.639 0.000000       22.63940 
1 1 1 -11 8  27 o 415.510 21.891 37.593  3.8385 0.0000  0.0000  37.593  3.8385 ?       ?      415.510 21.891 0.000000       21.89126 
1 1 1 -11 8  28 o 119.695 27.301 3.2916  1.3533 0.0000  0.0000  3.2916  1.3533 ?       ?      119.695 27.301 0.000000       27.30132 
1 1 1 -11 8  29 o 105.234 27.900 2.5633  1.2636 0.0000  0.0000  2.5633  1.2636 ?       ?      105.234 27.900 0.000000       27.89976 
1 1 1 -11 8  30 o 148.791 25.863 5.0412  1.5705 0.0000  0.0000  5.0412  1.5705 ?       ?      148.791 25.863 0.000000       25.86268 
1 1 1 -11 9  1  o 759.915 23.324 122.897 7.5061 0.0000  0.0000  122.897 7.5061 ?       ?      759.915 23.324 0.000000       23.32411 
1 1 1 -11 9  2  o 1022.43 19.638 222.140 8.5032 222.977 14.259  221.678 10.593 1021.07 32.976 1020.36 24.514 0.7105713      41.08929 
1 1 1 -11 9  3  o 808.731 22.596 139.139 7.7388 136.159 10.622  142.510 11.298 798.291 31.420 816.398 32.678 -18.10651      45.33235 
1 1 1 -11 9  4  f 426.116 17.801 38.559  3.2123 37.876  5.2236  38.974  4.0737 420.255 29.538 427.439 22.585 -7.184296      37.18268 
1 1 1 -11 9  5  o 882.538 18.517 165.442 6.9207 156.128 11.340  170.969 8.7362 854.841 31.325 896.394 23.013 -41.55212      38.87007 
1 1 1 -11 9  6  o 953.157 18.728 192.999 7.5598 190.412 12.389  194.534 9.5423 944.087 30.987 956.034 23.569 -11.94696      38.93133 
1 1 1 -11 9  7  f 468.740 20.834 46.715  4.1356 50.623  5.5678  41.905  6.1768 486.521 27.131 441.342 33.293 45.17862       42.94820 
1 1 1 -11 9  8  o 1000.45 18.660 212.651 7.9059 209.751 12.822  214.430 10.042 990.802 30.558 1003.60 23.627 -12.80298      38.62688 
1 1 1 -11 9  9  o 1029.61 18.578 225.243 8.1007 216.590 13.049  230.668 10.333 1006.67 30.609 1040.87 23.441 -34.19812      38.55400 
1 1 1 -11 9  10 o 636.760 21.797 86.277  5.8778 0.0000  0.0000  86.277  5.8778 ?       ?      636.760 21.797 0.000000       21.79695 
1 1 1 -11 9  11 o 735.790 22.087 115.236 6.8824 0.0000  0.0000  115.236 6.8824 ?       ?      735.790 22.087 0.000000       22.08744 
1 1 1 -11 9  12 f 254.330 26.627 13.952  2.8254 13.952  2.8254  0.0000  0.0000 254.330 26.627 ?       ?      0.000000       26.62702 
1 1 1 -11 9  13 o 606.805 16.196 78.205  4.1621 69.708  6.3959  84.446  5.4815 571.449 26.429 629.970 20.546 -58.52069      33.47622 
1 1 1 -11 9  14 o 710.269 31.505 108.097 9.4766 0.0000  0.0000  108.097 9.4766 ?       ?      710.269 31.505 0.000000       31.50543 
1 1 1 -11 9  15 o 311.162 15.289 20.561  2.0147 21.813  2.9979  19.530  2.7208 319.210 22.317 302.096 21.405 17.11383       30.92333 
1 1 1 -11 9  16 o 448.587 14.627 42.728  2.7786 42.464  4.0270  42.968  3.8389 446.505 21.297 449.282 20.176 -2.776398      29.33667 
1 1 1 -11 9  17 o 280.026 12.521 16.641  1.4849 18.379  2.5643  15.764  1.8213 292.998 20.802 271.905 15.886 21.09299       26.17402 
1 1 1 -11 9  18 o 319.359 11.715 21.643  1.5844 23.267  2.9217  20.967  1.8858 329.658 21.038 314.172 14.174 15.48657       25.36674 
1 1 1 -11 9  19 o 280.587 16.701 16.816  1.9755 16.534  2.5959  17.203  3.0451 277.283 22.295 282.156 25.768 -4.873596      34.07453 
1 1 1 -11 9  20 o 609.018 17.473 79.061  4.5066 79.681  6.0499  78.288  6.7549 609.791 23.427 603.462 26.432 6.329407       35.31955 
1 1 1 -11 9  21 o 562.300 25.809 68.068  6.1460 0.0000  0.0000  68.068  6.1460 ?       ?      562.300 25.809 0.000000       25.80946 
1 1 1 -11 9  22 o 238.617 20.737 12.291  2.0747 16.798  3.4157  9.6568  2.6117 276.793 29.598 208.834 30.425 67.95909       42.44720 
1 1 1 -11 9  23 o 260.575 25.193 14.790  2.7454 0.0000  0.0000  14.790  2.7454 ?       ?      260.575 25.193 0.000000       25.19349 
1 1 1 -11 9  24 o 244.856 25.223 13.112  2.5781 0.0000  0.0000  13.112  2.5781 ?       ?      244.856 25.223 0.000000       25.22324 
1 1 1 -11 9  25 o 294.124 23.407 18.865  2.8914 0.0000  0.0000  18.865  2.8914 ?       ?      294.124 23.407 0.000000       23.40716 
1 1 1 -11 9  26 o 245.944 23.170 13.260  2.3848 0.0000  0.0000  13.260  2.3848 ?       ?      245.944 23.170 0.000000       23.16993 
1 1 1 -11 9  27 o 180.734 24.435 7.2578  1.8223 0.0000  0.0000  7.2578  1.8223 ?       ?      180.734 24.435 0.000000       24.43484 
1 1 1 -11 9  28 o 217.647 22.768 10.467  2.0675 0.0000  0.0000  10.467  2.0675 ?       ?      217.647 22.768 0.000000       22.76797 
1 1 1 -11 9  29 o 149.247 26.012 5.0700  1.5843 0.0000  0.0000  5.0700  1.5843 ?       ?      149.247 26.012 0.000000       26.01177 
1 1 1 -11 9  30 o 261.732 22.225 15.137  2.4401 0.0000  0.0000  15.137  2.4401 ?       ?      261.732 22.225 0.000000       22.22473 
1 1 1 -11 10 1  o 426.238 18.521 38.596  3.3431 33.009  5.5183  41.835  4.2020 391.323 33.625 442.862 22.479 -51.53857      40.44705 
1 1 1 -11 10 2  o 698.807 22.940 103.916 6.7887 0.0000  0.0000  103.916 6.7887 ?       ?      698.807 22.940 0.000000       22.93954 
1 1 1 -11 10 3  f 433.911 21.607 40.042  3.9704 39.440  5.3753  40.766  5.8899 428.784 29.787 435.505 32.163 -6.720978      43.83740 
1 1 1 -11 10 4  o 489.663 17.732 50.921  3.6771 52.752  5.9713  49.802  4.6669 496.426 28.523 483.792 22.778 12.63354       36.50244 
1 1 1 -11 10 5  o 840.228 18.327 149.964 6.5213 152.734 10.703  148.328 8.2241 845.734 29.884 834.826 23.262 10.90790       37.87087 
1 1 1 -11 10 6  o 783.747 17.961 130.468 5.9615 128.107 9.7290  131.888 7.5435 774.567 29.660 787.289 22.625 -12.72229      37.30429 
1 1 1 -11 10 7  o 447.281 17.217 42.484  3.2612 42.416  5.2461  42.527  4.1634 445.014 27.979 447.099 21.989 -2.084991      35.58544 
1 1 1 -11 10 8  f 543.410 20.263 62.783  4.6632 63.032  6.2058  62.461  7.0674 543.633 26.956 539.665 31.055 3.968262       41.12177 
1 1 1 -11 10 9  o 695.727 17.142 102.801 5.0505 98.575  8.0034  105.597 6.5105 679.614 27.808 704.470 21.823 -24.85577      35.34841 
1 1 1 -11 10 10 o 512.299 16.592 55.735  3.5997 60.336  5.6920  52.667  4.6471 532.008 25.264 497.448 22.059 34.55960       33.53921 
1 1 1 -11 10 11 o 392.992 21.210 32.958  3.5169 0.0000  0.0000  32.958  3.5169 ?       ?      392.992 21.210 0.000000       21.21026 
1 1 1 -11 10 12 o 349.003 30.312 26.251  4.4356 0.0000  0.0000  26.251  4.4356 ?       ?      349.003 30.312 0.000000       30.31168 
1 1 1 -11 10 13 o 498.679 18.876 52.879  3.9863 51.621  5.1166  54.822  6.3586 491.997 24.557 505.313 29.846 -13.31552      38.65042 
1 1 1 -11 10 14 o 421.571 20.723 37.829  3.6997 0.0000  0.0000  37.829  3.6997 ?       ?      421.571 20.723 0.000000       20.72272 
1 1 1 -11 10 15 o 481.755 17.247 49.328  3.5187 48.284  4.4854  50.999  5.6737 476.039 22.249 487.670 27.586 -11.63120      35.44000 
1 1 1 -11 10 16 o 717.280 15.328 109.283 4.6562 106.355 6.8694  111.770 6.3329 706.236 22.968 724.479 20.641 -18.24292      30.88035 
1 1 1 -11 10 17 o 424.116 12.034 38.168  2.1614 39.097  3.7684  37.713  2.6386 428.351 20.774 421.352 14.787 6.999542       25.49895 
1 1 1 -11 10 18 o 491.775 11.795 51.328  2.4565 45.868  4.4183  53.771  2.9555 463.462 22.511 503.120 13.871 -39.65808      26.44153 
1 1 1 -11 10 19 o 491.149 16.448 51.349  3.4211 50.375  4.4684  52.727  5.3181 485.523 21.732 495.264 25.442 -9.741089      33.45974 
1 1 1 -11 10 20 o 43.374  19.802 -0.5333 0.8089 -1.5784 1.5747  -0.1587 0.9428 56.115  26.304 52.333  22.768 3.781975       34.78969 
1 1 1 -11 10 21 o 402.492 17.301 34.568  2.9490 34.604  4.0872  34.529  4.2593 400.534 24.209 399.765 25.289 0.7691040      35.00906 
1 1 1 -11 10 22 o 429.502 18.708 39.458  3.4028 36.306  5.2016  41.815  4.4990 407.629 30.350 440.019 24.237 -32.38971      38.83978 
1 1 1 -11 10 23 o 212.570 26.466 9.9225  2.3309 0.0000  0.0000  9.9225  2.3309 ?       ?      212.570 26.466 0.000000       26.46573 
1 1 1 -11 10 24 o 284.963 24.433 17.696  2.9201 0.0000  0.0000  17.696  2.9201 ?       ?      284.963 24.433 0.000000       24.43340 
1 1 1 -11 10 25 o 56.538  24.180 -0.0001 1.0286 0.0000  0.0000  -0.0001 1.0286 ?       ?      56.538  24.180 0.000000       24.17987 
1 1 1 -11 10 26 o 531.107 22.620 61.290  5.0876 0.0000  0.0000  61.290  5.0876 ?       ?      531.107 22.620 0.000000       22.61984 
1 1 1 -11 10 27 o 56.935  23.779 0.1741  0.9567 0.0000  0.0000  0.1741  0.9567 ?       ?      56.935  23.779 0.000000       23.77929 
1 1 1 -11 10 28 o 186.223 23.563 7.7197  1.8167 0.0000  0.0000  7.7197  1.8167 ?       ?      186.223 23.563 0.000000       23.56260 
1 1 1 -11 10 29 o 198.586 23.831 8.8071  1.9642 0.0000  0.0000  8.8071  1.9642 ?       ?      198.586 23.831 0.000000       23.83116 
1 1 1 -11 11 1  o 362.462 22.543 28.064  3.4432 27.654  4.6397  28.566  5.1370 358.429 30.868 363.766 33.729 -5.337616      45.72181 
1 1 1 -11 11 2  o 225.240 26.933 10.969  2.5181 0.0000  0.0000  10.969  2.5181 ?       ?      225.240 26.933 0.000000       26.93344 
1 1 1 -11 11 3  o 1073.93 19.488 245.109 8.8633 234.453 14.675  251.229 11.120 1046.72 33.107 1086.18 24.176 -39.46594      40.99429 
1 1 1 -11 11 4  o 742.119 21.820 117.155 6.8577 109.950 9.2755  125.840 10.185 717.363 30.532 767.266 31.344 -49.90314      43.75668 
1 1 1 -11 11 5  o 597.877 17.572 75.917  4.4491 75.678  7.2700  76.061  5.6256 595.426 28.831 597.904 22.218 -2.478577      36.39855 
1 1 1 -11 11 6  o 670.347 17.479 95.437  4.9620 95.280  8.0217  95.535  6.3152 668.162 28.349 670.065 22.255 -1.902039      36.04106 
1 1 1 -11 11 7  o 806.686 17.742 138.227 6.0611 134.446 9.7835  140.581 7.7214 793.468 29.115 812.764 22.433 -19.29535      36.75524 
1 1 1 -11 11 8  o 1023.99 22.355 223.166 9.6943 227.899 13.109  217.453 14.402 1032.70 29.974 1007.52 33.753 25.17566       45.14143 
1 1 1 -11 11 9  o 203.752 18.860 8.8982  1.6090 5.7090  2.6156  10.840  2.0407 159.795 38.995 224.666 21.720 -64.87106      44.63585 
1 1 1 -11 11 10 o 302.427 16.880 19.487  2.1533 20.192  3.4300  19.028  2.7664 306.483 26.693 298.178 22.064 8.304504       34.63170 
1 1 1 -11 11 11 o 205.883 18.543 9.0824  1.5994 11.315  2.5811  7.6908  2.0378 228.645 27.190 188.070 26.306 40.57562       37.83204 
1 1 1 -11 11 12 o 259.771 22.930 14.486  2.4966 0.0000  0.0000  14.486  2.4966 ?       ?      259.771 22.930 0.000000       22.92968 
1 1 1 -11 11 13 o 429.536 20.803 39.271  3.7841 0.0000  0.0000  39.271  3.7841 ?       ?      429.536 20.803 0.000000       20.80287 
1 1 1 -11 11 14 o 169.976 33.426 6.4109  2.3204 0.0000  0.0000  6.4109  2.3204 ?       ?      169.976 33.426 0.000000       33.42604 
1 1 1 -11 11 15 f 534.340 22.305 60.845  5.0472 60.845  5.0472  0.0000  0.0000 534.340 22.305 ?       ?      0.000000       22.30453 
1 1 1 -11 11 16 o 327.230 14.584 22.740  2.0210 22.528  2.9322  22.931  2.7894 324.457 21.461 327.555 20.207 -3.098114      29.47742 
1 1 1 -11 11 17 o 385.881 12.109 31.600  1.9788 31.151  3.4217  31.826  2.4255 381.666 21.254 387.043 14.798 -5.376587      25.89810 
1 1 1 -11 11 18 o 329.078 11.878 22.987  1.6553 25.557  3.0628  21.927  1.9674 345.453 21.036 321.206 14.463 24.24652       25.52799 
1 1 1 -11 11 19 o 229.764 17.895 11.318  1.7275 12.464  2.3300  9.9190  2.5743 240.226 23.191 212.673 29.366 27.55254       37.41886 
1 1 1 -11 11 20 o 208.403 20.700 9.3778  1.8027 14.104  2.6048  5.0328  2.4975 255.188 24.400 148.817 39.115 106.3715       46.10124 
1 1 1 -11 11 21 o 216.574 26.456 10.259  2.3760 0.0000  0.0000  10.259  2.3760 ?       ?      216.574 26.456 0.000000       26.45562 
1 1 1 -11 11 22 o 209.848 21.850 9.5546  1.9133 13.583  3.1853  7.2809  2.3931 247.989 31.008 180.074 32.580 67.91534       44.97734 
1 1 1 -11 11 23 o 127.614 31.844 3.6996  1.7154 0.0000  0.0000  3.6996  1.7154 ?       ?      127.614 31.844 0.000000       31.84396 
1 1 1 -11 11 24 o 155.818 28.235 5.4489  1.7946 0.0000  0.0000  5.4489  1.7946 ?       ?      155.818 28.235 0.000000       28.23539 
1 1 1 -11 11 25 o 162.282 27.124 5.9070  1.7983 0.0000  0.0000  5.9070  1.7983 ?       ?      162.282 27.124 0.000000       27.12367 
1 1 1 -11 11 26 o 198.696 23.857 8.7181  1.9673 0.0000  0.0000  8.7181  1.9673 ?       ?      198.696 23.857 0.000000       23.85691 
1 1 1 -11 11 27 o 181.441 24.424 7.3258  1.8291 0.0000  0.0000  7.3258  1.8291 ?       ?      181.441 24.424 0.000000       24.42432 
1 1 1 -11 11 28 o 115.685 28.906 3.1070  1.4121 0.0000  0.0000  3.1070  1.4121 ?       ?      115.685 28.906 0.000000       28.90559 
1 1 1 -11 11 29 o 82.803  30.800 1.2813  1.4430 0.0000  0.0000  1.2813  1.4430 ?       ?      82.803  30.800 0.000000       30.80002 
1 1 1 -11 12 1  o 257.506 23.626 14.236  2.5477 15.846  3.4384  12.277  3.7937 270.624 30.536 235.932 39.356 34.69272       49.81286 
1 1 1 -11 12 2  o 158.521 24.061 5.4711  1.5645 4.1769  2.3906  6.4407  2.0692 137.655 39.148 171.275 29.598 -33.62007      49.07748 
1 1 1 -11 12 3  o 935.884 23.627 186.495 9.3644 0.0000  0.0000  186.495 9.3644 ?       ?      935.884 23.627 0.000000       23.62742 
1 1 1 -11 12 4  o 538.223 21.107 61.612  4.8109 61.466  6.4789  61.791  7.1826 535.840 28.655 536.596 31.749 -0.7564697     42.76799 
1 1 1 -11 12 5  o 512.313 17.358 55.744  3.7659 60.580  6.1567  52.853  4.7603 532.185 27.411 498.333 22.557 33.85196       35.49844 
1 1 1 -11 12 6  o 411.922 17.257 36.038  3.0104 33.326  4.8713  37.713  3.8292 393.923 29.412 420.487 21.576 -26.56421      36.47775 
1 1 1 -11 12 7  o 520.765 16.999 57.596  3.7489 57.673  6.0208  57.547  4.7910 519.157 27.483 520.051 21.754 -0.8939819     35.05052 
1 1 1 -11 12 8  o 814.209 21.115 141.034 7.2808 143.331 9.8052  138.211 10.870 819.297 28.260 803.598 31.941 15.69958       42.64804 
1 1 1 -11 12 9  o 161.858 21.039 5.6663  1.4080 7.9423  2.2341  4.1666  1.8135 190.789 28.527 136.826 31.888 53.96317       42.78554 
1 1 1 -11 12 10 o 288.869 16.925 17.786  2.0614 16.298  3.2942  18.743  2.6429 274.717 28.741 296.027 21.222 -21.31082      35.72688 
1 1 1 -11 12 11 o 368.103 16.306 28.780  2.5420 26.124  3.9976  30.582  3.2936 348.714 27.287 378.556 20.622 -29.84158      34.20349 
1 1 1 -11 12 12 o 444.301 15.856 41.925  2.9834 40.606  4.6508  42.847  3.8889 435.529 25.325 448.715 20.465 -13.18570      32.56015 
1 1 1 -11 12 13 o 544.370 20.585 63.074  4.7456 0.0000  0.0000  63.074  4.7456 ?       ?      544.370 20.585 0.000000       20.58519 
1 1 1 -11 12 14 o 610.725 20.909 79.414  5.4079 0.0000  0.0000  79.414  5.4079 ?       ?      610.725 20.909 0.000000       20.90943 
1 1 1 -11 12 15 o 294.954 15.888 18.536  1.9773 19.501  3.0684  17.851  2.5857 301.355 24.248 288.711 21.299 12.64352       32.27375 
1 1 1 -11 12 16 o 620.690 14.710 81.828  3.8666 86.246  6.0160  78.718  5.0471 635.950 22.338 608.055 19.600 27.89478       29.71747 
1 1 1 -11 12 17 o 384.752 14.467 31.450  2.3573 32.381  3.4714  30.655  3.2112 389.100 21.146 378.744 20.092 10.35687       29.16976 
1 1 1 -11 12 18 o 250.857 12.141 13.361  1.2898 13.461  2.4486  13.323  1.5174 249.812 23.419 249.947 14.396 -0.1353455     27.48999 
1 1 1 -11 12 19 o 411.429 16.648 36.056  2.9007 35.993  3.8075  36.143  4.4779 409.587 22.032 409.414 25.961 0.1732178      34.04963 
1 1 1 -11 12 20 o 204.440 19.821 9.0167  1.6945 6.0331  2.4013  11.976  2.3915 163.264 35.724 234.900 24.396 -71.63617      43.25944 
1 1 1 -11 12 21 o 360.633 17.358 27.769  2.6510 29.303  3.7052  26.160  3.7945 368.365 23.880 347.333 25.985 21.03174       35.29139 
1 1 1 -11 12 22 o 197.051 21.790 8.4384  1.7879 8.6095  3.0004  8.3443  2.2264 194.458 37.796 194.389 27.840 0.6890869E-01  46.94242 
1 1 1 -11 12 23 o 151.204 26.138 5.0859  1.6132 8.6141  3.1014  3.7773  1.8888 193.586 39.175 128.715 34.104 64.87106       51.94001 
1 1 1 -11 12 24 o 364.545 23.202 28.867  3.5634 0.0000  0.0000  28.867  3.5634 ?       ?      364.545 23.202 0.000000       23.20244 
1 1 1 -11 12 25 o 125.177 33.436 3.6200  1.8060 0.0000  0.0000  3.6200  1.8060 ?       ?      125.177 33.436 0.000000       33.43590 
1 1 1 -11 12 26 o 96.571  32.629 1.9868  1.5850 0.0000  0.0000  1.9868  1.5850 ?       ?      96.571  32.629 0.000000       32.62901 
1 1 1 -11 12 27 o 103.333 32.694 2.4025  1.6029 0.0000  0.0000  2.4025  1.6029 ?       ?      103.333 32.694 0.000000       32.69416 
1 1 1 -11 12 28 o 160.124 28.897 5.8941  1.8875 0.0000  0.0000  5.8941  1.8875 ?       ?      160.124 28.897 0.000000       28.89743 
1 1 1 -11 12 29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 13 1  o 758.712 22.157 122.510 7.1192 123.143 9.7317  121.782 10.442 759.003 30.276 754.209 32.692 4.793518       44.55791 
1 1 1 -11 13 2  o 490.814 17.573 51.171  3.6526 48.914  5.9470  52.539  4.6285 477.596 29.548 496.881 21.996 -19.28546      36.83665 
1 1 1 -11 13 3  o 519.715 22.393 57.488  4.9285 0.0000  0.0000  57.488  4.9285 ?       ?      519.715 22.393 0.000000       22.39264 
1 1 1 -11 13 4  o 422.517 17.689 37.923  3.1651 40.246  5.1947  36.551  3.9915 433.255 28.471 413.737 22.869 19.51770       36.51828 
1 1 1 -11 13 5  o 846.934 21.879 152.638 7.8473 159.188 10.647  144.847 11.611 863.273 29.122 822.358 33.341 40.91534       44.26878 
1 1 1 -11 13 6  o 855.131 17.933 155.361 6.4944 161.995 10.553  151.316 8.2395 870.942 28.611 842.998 23.080 27.94366       36.75997 
1 1 1 -11 13 7  o 345.879 17.193 25.411  2.5184 22.680  4.0442  27.141  3.2187 324.426 29.767 356.518 21.418 -32.09213      36.67194 
1 1 1 -11 13 8  o 628.833 16.941 83.992  4.5115 85.053  7.2567  83.323  5.7600 631.255 27.145 625.696 21.738 5.558350       34.77622 
1 1 1 -11 13 9  o 401.881 19.979 34.351  3.4004 28.198  4.4714  42.790  5.2364 362.019 29.420 446.767 27.814 -84.74832      40.48641 
1 1 1 -11 13 10 o 652.636 16.619 90.476  4.5933 91.616  7.2913  89.725  5.9145 655.183 26.278 649.231 21.512 5.952087       33.96028 
1 1 1 -11 13 11 o 515.594 18.872 56.527  4.1207 51.758  5.4737  62.765  6.2603 491.694 26.383 541.366 27.395 -49.67191      38.03413 
1 1 1 -11 13 12 o 150.468 19.909 4.8999  1.2375 2.1738  1.8751  7.0031  1.6470 104.427 35.489 180.005 22.068 -75.57782      41.79081 
1 1 1 -11 13 13 f 140.177 20.502 4.2696  1.1811 4.8756  1.8072  3.8177  1.5605 148.344 29.801 131.081 28.889 17.26297       41.50523 
1 1 1 -11 13 14 o 518.322 20.241 57.188  4.4429 0.0000  0.0000  57.188  4.4429 ?       ?      518.322 20.241 0.000000       20.24069 
1 1 1 -11 13 15 o 530.837 16.056 59.878  3.6094 0.0000  0.0000  59.878  3.6094 ?       ?      530.837 16.056 0.000000       16.05591 
1 1 1 -11 13 16 o 194.208 16.179 8.0724  1.3185 6.9815  2.3381  8.5811  1.5966 177.566 32.282 199.870 19.095 -22.30345      37.50648 
1 1 1 -11 13 17 o 251.979 19.244 13.606  2.0380 13.187  2.6006  14.273  3.2807 246.986 25.217 255.799 30.912 -8.813019      39.89322 
1 1 1 -11 13 18 f 330.564 13.780 23.224  1.9291 25.442  3.4211  22.190  2.3358 343.968 23.629 322.343 17.173 21.62546       29.21034 
1 1 1 -11 13 19 o 425.861 18.104 38.686  3.2651 44.817  4.1205  28.341  5.3525 457.730 21.257 359.109 35.667 98.62027       41.52114 
1 1 1 -11 13 20 o 135.708 24.218 4.0723  1.3408 8.2643  2.2432  1.7424  1.6724 193.703 28.172 94.905  33.454 98.79819       43.73553 
1 1 1 -11 13 21 o 142.986 22.823 4.4980  1.3356 5.3444  1.9447  3.7424  1.8374 154.212 30.855 128.529 33.438 25.68263       45.49833 
1 1 1 -11 13 22 o 274.359 19.008 16.195  2.1949 13.741  3.4505  17.863  2.8447 248.318 33.681 287.008 23.614 -38.69060      41.13407 
1 1 1 -11 13 23 o 280.474 19.646 16.967  2.3188 26.752  4.0881  12.326  2.8156 349.591 27.844 236.211 28.739 113.3804       40.01513 
1 1 1 -11 13 24 o 513.871 23.869 57.282  5.1943 0.0000  0.0000  57.282  5.1943 ?       ?      513.871 23.869 0.000000       23.86858 
1 1 1 -11 13 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 13 26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 13 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 13 28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 13 29 o 266.470 24.411 15.834  2.7242 0.0000  0.0000  15.834  2.7242 ?       ?      266.470 24.411 0.000000       24.41140 
1 1 1 -11 14 1  o 890.829 22.572 168.948 8.5155 155.043 11.595  185.232 12.547 851.016 32.172 930.286 31.848 -79.26996      45.26947 
1 1 1 -11 14 2  o 391.382 17.899 32.545  2.9667 29.467  4.8687  34.364  3.7415 369.827 31.383 401.209 22.106 -31.38168      38.38682 
1 1 1 -11 14 3  o 1061.30 19.198 239.435 8.6284 242.957 14.299  237.418 10.820 1065.51 31.690 1055.61 24.204 9.895630       39.87550 
1 1 1 -11 14 4  o 179.081 27.860 7.0050  2.0442 0.0000  0.0000  7.0050  2.0442 ?       ?      179.081 27.860 0.000000       27.86043 
1 1 1 -11 14 5  o 918.593 21.984 179.597 8.5522 170.248 11.525  191.056 12.759 892.243 30.500 944.765 31.888 -52.52191      44.12612 
1 1 1 -11 14 6  o 867.950 17.855 160.066 6.5631 159.149 10.614  160.634 8.3509 863.021 29.041 868.568 22.703 -5.546448      36.86212 
1 1 1 -11 14 7  o 242.169 18.506 12.537  1.8835 12.573  3.0494  12.514  2.3949 240.560 30.628 241.216 23.753 -0.6558990     38.75891 
1 1 1 -11 14 8  o 876.036 17.673 163.072 6.5565 161.516 10.616  164.031 8.3364 869.326 28.836 877.672 22.429 -8.346436      36.53195 
1 1 1 -11 14 9  o 397.591 19.819 33.624  3.3370 30.521  4.4861  37.467  4.9930 376.889 28.314 417.777 28.390 -40.88770      40.09571 
1 1 1 -11 14 10 o 783.085 20.169 130.471 6.6885 131.525 9.0032  129.172 9.9918 784.736 27.091 776.827 30.372 7.908569       40.69886 
1 1 1 -11 14 11 o 282.563 19.994 17.072  2.3770 17.482  3.1828  16.554  3.5745 284.892 26.692 276.314 31.087 8.578583       40.97361 
1 1 1 -11 14 12 o 561.439 18.242 67.020  4.3373 58.026  5.6896  79.498  6.7015 521.346 25.770 610.195 25.934 -88.84918      36.55989 
1 1 1 -11 14 13 o 596.230 17.939 75.583  4.5297 72.505  5.9213  79.924  7.0330 583.027 23.982 611.500 27.158 -28.47284      36.23127 
1 1 1 -11 14 14 o 755.935 18.456 121.549 5.9084 125.605 7.8002  116.090 9.0497 767.242 24.007 736.315 29.022 30.92688       37.66417 
1 1 1 -11 14 15 o 265.808 18.858 15.111  2.1091 15.497  2.9046  14.680  3.0673 268.041 25.912 260.345 28.275 7.696472       38.35240 
1 1 1 -11 14 16 o 632.647 17.802 85.173  4.7695 0.0000  0.0000  85.173  4.7695 ?       ?      632.647 17.802 0.000000       17.80198 
1 1 1 -11 14 17 o 150.996 20.142 4.9471  1.2559 0.0000  0.0000  4.9471  1.2559 ?       ?      150.996 20.142 0.000000       20.14217 
1 1 1 -11 14 18 o 261.362 27.639 14.849  3.0128 0.0000  0.0000  14.849  3.0128 ?       ?      261.362 27.639 0.000000       27.63862 
1 1 1 -11 14 19 o 411.646 13.213 36.030  2.3034 41.450  4.0758  33.486  2.7921 439.947 21.876 396.372 16.633 43.57483       27.48150 
1 1 1 -11 14 20 o 146.858 21.388 4.7158  1.2911 5.1784  2.3335  4.5117  1.5500 150.762 36.858 142.420 26.680 8.341919       45.50094 
1 1 1 -11 14 21 o 343.083 19.032 25.268  2.7543 34.158  4.1261  18.122  3.6992 397.336 24.643 286.965 30.928 110.3716       39.54497 
1 1 1 -11 14 22 o 196.656 41.140 8.9245  3.3161 8.9245  3.3161  0.0000  0.0000 196.656 41.140 ?       ?      0.000000       41.14013 
1 1 1 -11 14 23 o 228.684 42.775 12.144  3.9903 12.144  3.9903  0.0000  0.0000 228.684 42.775 ?       ?      0.000000       42.77536 
1 1 1 -11 14 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 14 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 14 26 o 322.511 23.707 22.830  3.2152 0.0000  0.0000  22.830  3.2152 ?       ?      322.511 23.707 0.000000       23.70680 
1 1 1 -11 14 27 o 168.708 30.190 6.5454  2.0778 0.0000  0.0000  6.5454  2.0778 ?       ?      168.708 30.190 0.000000       30.19015 
1 1 1 -11 14 28 o 205.495 26.326 9.5296  2.2384 0.0000  0.0000  9.5296  2.2384 ?       ?      205.495 26.326 0.000000       26.32605 
1 1 1 -11 14 29 o 181.223 29.282 7.5633  2.1707 0.0000  0.0000  7.5633  2.1707 ?       ?      181.223 29.282 0.000000       29.28225 
1 1 1 -11 15 1  o 1297.47 20.537 358.100 11.285 329.175 18.783  374.436 14.116 1238.18 35.822 1325.21 25.153 -87.03455      43.77040 
1 1 1 -11 15 2  f 449.979 21.625 43.094  4.1209 48.334  5.6336  37.063  6.0437 474.907 28.137 414.241 34.773 60.66586       44.73062 
1 1 1 -11 15 3  o 454.211 17.663 43.834  3.3976 44.166  5.6296  43.644  4.2611 453.627 29.464 452.776 22.222 0.8512268      36.90514 
1 1 1 -11 15 4  o 241.220 24.948 12.535  2.5118 0.0000  0.0000  12.535  2.5118 ?       ?      241.220 24.948 0.000000       24.94837 
1 1 1 -11 15 5  o 448.214 21.913 42.765  4.1595 0.0000  0.0000  42.765  4.1595 ?       ?      448.214 21.913 0.000000       21.91346 
1 1 1 -11 15 6  o 470.191 27.608 47.370  5.4732 47.370  5.4732  0.0000  0.0000 470.191 27.608 ?       ?      0.000000       27.60810 
1 1 1 -11 15 7  o 301.454 21.176 19.434  2.6863 17.297  3.4949  22.520  4.1993 282.907 29.609 322.904 31.093 -39.99734      42.93594 
1 1 1 -11 15 8  o 572.018 19.813 69.599  4.7995 65.687  6.4435  74.475  7.1932 554.556 27.437 590.235 28.777 -35.67859      39.76069 
1 1 1 -11 15 9  f 342.291 19.944 25.009  2.8786 23.949  3.8397  26.369  4.3496 333.734 27.410 349.862 29.635 -16.12735      40.36768 
1 1 1 -11 15 10 o 1250.44 22.952 333.197 12.154 327.085 16.644  340.181 17.791 1235.32 31.815 1259.04 33.368 -23.72510      46.10415 
1 1 1 -11 15 11 o 295.134 19.583 18.612  2.4337 17.268  3.2403  20.351  3.6862 282.975 27.381 307.165 28.669 -24.18994      39.64404 
1 1 1 -11 15 12 o 302.471 18.783 19.533  2.3941 19.652  3.1125  19.361  3.7464 302.525 24.505 299.236 29.966 3.289154       38.71008 
1 1 1 -11 15 13 f 397.388 17.725 33.576  2.9829 35.329  3.8825  31.051  4.6599 406.483 22.644 379.734 29.201 26.74902       36.95185 
1 1 1 -11 15 14 o 524.161 14.830 58.353  3.2918 61.886  5.1931  55.981  4.2562 538.681 22.764 512.812 19.598 25.86914       30.03827 
1 1 1 -11 15 15 o 178.502 21.649 6.8918  1.6031 5.6471  2.2487  8.1780  2.2859 158.940 34.406 193.289 28.806 -34.34869      44.87302 
1 1 1 -11 15 16 o 127.158 21.017 3.5387  1.0922 2.9522  1.9305  3.8148  1.3246 116.620 35.723 131.463 24.700 -14.84272      43.43061 
1 1 1 -11 15 17 o 557.521 13.441 66.046  3.1736 71.332  5.3412  63.161  3.9456 577.765 21.829 544.624 17.107 33.14105       27.73392 
1 1 1 -11 15 18 o 385.238 15.914 31.601  2.5963 0.0000  0.0000  31.601  2.5963 ?       ?      385.238 15.914 0.000000       15.91422 
1 1 1 -11 15 19 o 466.235 25.625 46.919  5.0401 0.0000  0.0000  46.919  5.0401 ?       ?      466.235 25.625 0.000000       25.62479 
1 1 1 -11 15 20 o 386.765 16.747 31.924  2.7431 0.0000  0.0000  31.924  2.7431 ?       ?      386.765 16.747 0.000000       16.74730 
1 1 1 -11 15 21 f 267.924 17.900 15.417  2.0193 0.0000  0.0000  15.417  2.0193 ?       ?      267.924 17.900 0.000000       17.90013 
1 1 1 -11 15 22 o 121.774 22.001 3.2855  1.0928 0.0000  0.0000  3.2855  1.0928 ?       ?      121.774 22.001 0.000000       22.00092 
1 1 1 -11 15 23 o 519.852 24.148 58.556  5.3162 0.0000  0.0000  58.556  5.3162 ?       ?      519.852 24.148 0.000000       24.14797 
1 1 1 -11 15 24 o 131.128 34.913 3.9880  1.9732 0.0000  0.0000  3.9880  1.9732 ?       ?      131.128 34.913 0.000000       34.91268 
1 1 1 -11 15 25 o 160.905 31.381 5.9393  2.0615 0.0000  0.0000  5.9393  2.0615 ?       ?      160.905 31.381 0.000000       31.38089 
1 1 1 -11 15 26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 15 27 o 270.499 24.601 16.252  2.7873 0.0000  0.0000  16.252  2.7873 ?       ?      270.499 24.601 0.000000       24.60089 
1 1 1 -11 15 28 o 279.241 24.250 17.362  2.8393 0.0000  0.0000  17.362  2.8393 ?       ?      279.241 24.250 0.000000       24.25047 
1 1 1 -11 15 29 o 294.485 24.224 19.315  2.9943 0.0000  0.0000  19.315  2.9943 ?       ?      294.485 24.224 0.000000       24.22431 
1 1 1 -11 16 1  o 1045.03 19.255 232.204 8.5216 232.324 14.165  232.136 10.668 1041.48 32.115 1043.65 24.137 -2.167847      40.17451 
1 1 1 -11 16 2  o 498.219 21.041 52.821  4.4395 51.581  6.0382  54.280  6.5497 490.370 29.209 502.698 30.916 -12.32843      42.53164 
1 1 1 -11 16 3  o 381.443 21.746 31.072  3.4983 30.111  4.7830  32.177  5.1299 373.945 30.467 386.406 31.626 -12.46024      43.91446 
1 1 1 -11 16 4  o 229.462 22.949 11.325  2.2002 10.857  3.0283  11.849  3.2021 222.729 33.113 232.800 33.439 -10.07065      47.05988 
1 1 1 -11 16 5  o 1033.70 33.392 229.140 14.618 0.0000  0.0000  229.140 14.618 ?       ?      1033.70 33.392 0.000000       33.39182 
1 1 1 -11 16 6  o 1046.23 22.234 233.101 9.8513 218.021 13.404  250.814 14.527 1008.99 31.369 1082.09 31.701 -73.09576      44.59819 
1 1 1 -11 16 7  o 176.063 34.052 6.8716  2.4471 6.8716  2.4471  0.0000  0.0000 176.063 34.052 ?       ?      0.000000       34.05193 
1 1 1 -11 16 8  o 509.655 19.689 55.255  4.2495 50.183  5.6652  61.779  6.4258 483.831 27.765 536.852 28.364 -53.02106      39.69175 
1 1 1 -11 16 9  o 509.966 19.229 55.315  4.1529 50.902  5.5930  60.737  6.1998 487.373 27.207 532.425 27.591 -45.05212      38.74888 
1 1 1 -11 16 10 o 899.509 20.469 172.215 7.7974 166.527 10.547  179.073 11.580 882.479 28.221 914.573 29.898 -32.09363      41.11354 
1 1 1 -11 16 11 o 504.353 18.571 54.097  3.9665 48.944  5.2514  60.942  6.0523 478.038 26.038 533.381 26.881 -55.34344      37.42387 
1 1 1 -11 16 12 o 388.970 17.979 32.172  2.9616 27.100  3.8400  39.618  4.6527 355.315 25.693 429.958 25.670 -74.64291      36.31905 
1 1 1 -11 16 13 o 379.168 17.473 30.569  2.8057 29.717  3.6361  31.824  4.4109 372.556 23.161 384.795 27.244 -12.23929      35.75839 
1 1 1 -11 16 14 o 605.848 14.746 77.968  3.7834 80.799  5.9964  76.096  4.8766 615.355 23.010 597.864 19.261 17.49097       30.00761 
1 1 1 -11 16 15 o 160.964 23.316 5.6458  1.5431 6.0137  2.2433  5.3152  2.1261 164.212 33.395 154.173 33.519 10.03816       47.31533 
1 1 1 -11 16 16 o 140.077 20.824 4.2766  1.1977 1.6873  2.2650  5.2817  1.4112 101.958 38.455 155.758 22.007 -53.79984      44.30726 
1 1 1 -11 16 17 o 247.495 14.471 13.070  1.5101 13.638  2.7172  12.816  1.8165 250.761 25.963 244.615 17.654 6.146027       31.39631 
1 1 1 -11 16 18 o 328.690 13.640 22.976  1.8987 26.733  3.5380  21.457  2.2502 352.193 23.862 316.837 16.831 35.35635       29.20020 
1 1 1 -11 16 19 o 286.085 13.807 17.417  1.6728 17.315  3.2092  17.456  1.9601 281.983 27.212 285.667 16.270 -3.684479      31.70446 
1 1 1 -11 16 20 o 282.365 18.339 17.119  2.1811 16.128  3.1223  18.063  3.0480 271.679 27.518 288.356 25.214 -16.67715      37.32222 
1 1 1 -11 16 21 o 147.996 19.445 4.7716  1.1892 9.6018  2.6889  3.5971  1.3260 207.513 31.595 126.847 25.567 80.66552       40.64365 
1 1 1 -11 16 22 o 136.678 20.115 4.0951  1.1295 8.4472  2.9873  3.3691  1.2200 191.810 38.119 122.795 24.321 69.01534       45.21677 
1 1 1 -11 16 23 o 96.302  23.651 2.0885  0.9575 -0.0021 3.0666  2.3144  1.0079 95.266  41.255 101.352 23.875 -6.086121      47.66521 
1 1 1 -11 16 24 o 241.432 18.460 12.623  1.8731 13.901  4.6410  12.374  2.0473 239.977 47.348 238.421 20.475 1.555496       51.58560 
1 1 1 -11 16 25 o 226.420 26.397 11.402  2.4836 0.0000  0.0000  11.402  2.4836 ?       ?      226.420 26.397 0.000000       26.39665 
1 1 1 -11 16 26 o 353.692 23.696 27.508  3.5288 0.0000  0.0000  27.508  3.5288 ?       ?      353.692 23.696 0.000000       23.69625 
1 1 1 -11 16 27 o 237.034 25.547 12.576  2.5239 0.0000  0.0000  12.576  2.5239 ?       ?      237.034 25.547 0.000000       25.54688 
1 1 1 -11 16 28 o 98.143  34.599 2.0668  1.7889 0.0000  0.0000  2.0668  1.7889 ?       ?      98.143  34.599 0.000000       34.59943 
1 1 1 -11 17 1  o 860.339 22.196 157.616 8.0872 160.475 11.053  154.321 11.865 866.058 30.135 848.414 33.022 17.64404       44.70533 
1 1 1 -11 17 2  o 442.668 21.112 41.705  3.9578 45.524  5.4059  37.293  5.8101 460.811 27.832 415.755 33.278 45.05630       43.38277 
1 1 1 -11 17 3  o 663.206 21.006 93.609  5.8998 92.853  7.9908  94.515  8.7477 659.093 28.629 664.404 31.090 -5.310974      42.26300 
1 1 1 -11 17 4  o 537.058 20.550 61.374  4.6739 60.497  6.2713  62.469  7.0101 531.388 27.966 539.334 30.820 -7.946594      41.61693 
1 1 1 -11 17 5  o 636.900 20.403 86.313  5.5032 85.798  7.4051  86.948  8.2247 633.721 27.592 637.336 30.473 -3.615112      41.10856 
1 1 1 -11 17 6  o 570.954 30.474 69.979  7.3418 0.0000  0.0000  69.979  7.3418 ?       ?      570.954 30.474 0.000000       30.47387 
1 1 1 -11 17 7  o 338.379 28.586 24.652  4.0580 24.652  4.0580  0.0000  0.0000 338.379 28.586 ?       ?      0.000000       28.58599 
1 1 1 -11 17 8  o 687.669 27.103 101.031 7.8931 101.031 7.8931  0.0000  0.0000 687.669 27.103 ?       ?      0.000000       27.10336 
1 1 1 -11 17 9  o 518.410 19.242 57.168  4.2243 54.001  5.7044  61.014  6.2860 502.042 26.929 533.506 27.919 -31.46451      38.78982 
1 1 1 -11 17 10 o 819.913 19.940 143.067 6.9236 138.527 9.3805  148.499 10.262 804.973 27.517 832.976 29.090 -28.00305      40.04249 
1 1 1 -11 17 11 o 815.477 19.264 141.494 6.6527 130.470 8.8953  155.487 10.022 781.281 26.885 852.639 27.755 -71.35803      38.64096 
1 1 1 -11 17 12 o 698.668 18.314 103.831 5.4188 96.793  7.1573  113.284 8.2944 673.233 25.104 727.867 26.908 -54.63428      36.80050 
1 1 1 -11 17 13 o 437.528 15.182 40.668  2.8130 36.909  4.3250  43.424  3.7033 414.974 24.723 451.644 19.362 -36.67001      31.40241 
1 1 1 -11 17 14 o 566.484 14.443 68.170  3.4650 64.356  5.5110  70.663  4.4559 548.912 23.707 576.195 18.261 -27.28320      29.92489 
1 1 1 -11 17 15 o 280.296 18.274 16.802  2.1573 16.455  3.0649  17.142  3.0372 275.863 26.563 281.790 25.735 -5.926300      36.98468 
1 1 1 -11 17 16 o 487.982 13.703 50.607  2.8319 44.828  4.6876  53.929  3.5537 456.859 24.316 503.301 16.673 -46.44162      29.48282 
1 1 1 -11 17 17 o 152.152 18.133 5.0060  1.1454 5.9130  2.3031  4.7079  1.3203 162.050 34.611 146.774 21.912 15.27573       40.96406 
1 1 1 -11 17 18 o 387.260 13.456 31.899  2.2069 35.807  4.0009  30.190  2.6458 407.847 23.261 376.300 16.603 31.54639       28.57788 
1 1 1 -11 17 19 o 91.260  29.320 1.7677  1.2854 1.1172  2.2203  2.0956  1.5764 94.019  37.339 99.572  32.510 -5.553246      49.50871 
1 1 1 -11 17 20 o 171.109 16.582 6.3090  1.1865 9.0098  2.3594  5.3948  1.3727 201.976 28.367 157.187 21.159 44.78903       35.38869 
1 1 1 -11 17 21 o 270.586 19.006 15.766  2.1641 15.639  3.3240  15.859  2.8511 266.240 30.005 269.688 25.258 -3.448639      39.22063 
1 1 1 -11 17 22 o 151.483 25.670 5.1083  1.5879 9.0161  3.0078  3.5982  1.8698 198.391 37.166 125.478 34.235 72.91287       50.53065 
1 1 1 -11 17 23 o 178.969 20.102 6.9886  1.4972 9.2884  3.7170  6.5433  1.6357 196.936 45.485 172.315 22.989 24.62100       50.96466 
1 1 1 -11 17 24 o 139.909 22.646 4.3554  1.2959 5.5427  3.7908  4.1982  1.3790 152.323 50.447 136.710 24.729 15.61293       56.18207 
1 1 1 -11 17 25 f 360.793 19.238 28.215  2.9289 0.0000  0.0000  28.215  2.9289 ?       ?      360.793 19.238 0.000000       19.23830 
1 1 1 -11 17 26 o 267.316 24.970 15.861  2.7940 0.0000  0.0000  15.861  2.7940 ?       ?      267.316 24.970 0.000000       24.97013 
1 1 1 -11 17 27 f 423.237 23.388 39.586  4.1757 0.0000  0.0000  39.586  4.1757 ?       ?      423.237 23.388 0.000000       23.38788 
1 1 1 -11 17 28 o 179.265 24.439 7.2364  1.8070 6.8958  2.8539  7.4644  2.3346 166.880 40.738 178.512 32.060 -11.63162      51.84070 
1 1 1 -11 18 1  o 321.357 22.343 22.101  3.0217 22.331  4.1709  21.846  4.3837 321.483 31.021 317.493 33.090 3.989014       45.35688 
1 1 1 -11 18 2  o 580.049 21.009 71.615  5.1609 78.211  7.0569  64.031  7.5669 605.046 27.541 545.467 32.911 59.57965       42.91452 
1 1 1 -11 18 3  o 493.783 20.713 51.891  4.3314 50.173  5.8331  54.002  6.4667 483.610 28.609 501.329 30.606 -17.71899      41.89466 
1 1 1 -11 18 4  o 511.473 20.634 55.675  4.4694 50.690  5.9553  62.104  6.7630 485.989 29.069 537.924 29.804 -51.93527      41.63255 
1 1 1 -11 18 5  o 1231.48 23.551 323.268 12.282 308.239 16.815  340.458 17.983 1198.64 33.125 1259.43 33.717 -60.79248      47.26669 
1 1 1 -11 18 6  o 1261.84 23.576 339.431 12.598 323.611 17.293  357.327 18.392 1228.01 33.252 1290.18 33.662 -62.17285      47.31580 
1 1 1 -11 18 7  o 612.770 29.407 80.356  7.6312 0.0000  0.0000  80.356  7.6312 ?       ?      612.770 29.407 0.000000       29.40703 
1 1 1 -11 18 8  o 411.162 26.794 36.268  4.6400 36.268  4.6400  0.0000  0.0000 411.162 26.794 ?       ?      0.000000       26.79417 
1 1 1 -11 18 9  o 590.703 26.024 74.525  6.5101 74.525  6.5101  0.0000  0.0000 590.703 26.024 ?       ?      0.000000       26.02401 
1 1 1 -11 18 10 o 416.242 18.628 36.854  3.2836 33.668  4.3846  40.923  4.9550 396.106 26.288 436.736 26.922 -40.62949      37.62742 
1 1 1 -11 18 11 o 711.433 18.625 107.678 5.6114 100.318 7.4708  117.205 8.4997 685.224 25.745 740.297 27.112 -55.07318      37.38770 
1 1 1 -11 18 12 o 461.339 17.624 45.266  3.4432 45.624  4.5270  44.775  5.3034 462.424 23.117 456.576 27.558 5.848877       35.96947 
1 1 1 -11 18 13 o 247.213 20.672 13.114  2.1444 12.857  3.0641  13.361  3.0020 242.886 30.459 247.956 29.145 -5.070175      42.15674 
1 1 1 -11 18 14 o 511.329 14.605 55.560  3.1625 56.581  5.0475  54.900  4.0578 514.621 23.160 507.678 18.874 6.942780       29.87663 
1 1 1 -11 18 15 o 580.164 24.081 72.045  5.9165 0.0000  0.0000  72.045  5.9165 ?       ?      580.164 24.081 0.000000       24.08094 
1 1 1 -11 18 16 o 564.580 17.279 67.919  4.1313 0.0000  0.0000  67.919  4.1313 ?       ?      564.580 17.279 0.000000       17.27881 
1 1 1 -11 18 17 o 361.530 13.460 27.795  2.0609 27.054  3.5541  28.170  2.5296 354.297 23.826 363.582 16.428 -9.285004      28.94067 
1 1 1 -11 18 18 f 460.522 13.293 45.118  2.5926 47.332  4.5924  44.082  3.1410 469.480 23.098 454.669 16.313 14.81021       28.27789 
1 1 1 -11 18 19 o 48.590  22.363 -0.7904 1.0602 -0.7536 2.0181  -0.8044 1.2460 72.227  32.274 53.739  24.550 18.48809       40.54986 
1 1 1 -11 18 20 o 240.702 14.483 12.394  1.4695 11.535  2.8707  12.700  1.7106 228.194 30.466 243.253 16.706 -15.05934      34.74637 
1 1 1 -11 18 21 o 179.996 17.533 6.9983  1.3195 13.435  2.8152  5.1862  1.4938 247.249 27.344 153.278 23.783 93.97066       36.23978 
1 1 1 -11 18 22 o 227.184 16.849 11.114  1.6095 13.769  3.4328  10.366  1.8223 247.385 33.639 218.636 19.899 28.74863       39.08375 
1 1 1 -11 18 23 o 520.762 18.779 58.410  4.1415 57.840  6.5391  58.793  5.3517 510.505 30.384 519.498 24.326 -8.992493      38.92171 
1 1 1 -11 18 24 o 220.063 24.158 10.692  2.2143 9.4302  4.4154  11.116  2.5594 193.433 52.540 223.044 27.692 -29.61153      59.39134 
1 1 1 -11 18 25 o 371.842 19.412 30.004  3.0462 0.0000  0.0000  30.004  3.0462 ?       ?      371.842 19.412 0.000000       19.41189 
1 1 1 -11 18 26 o 231.652 20.993 11.793  2.0371 0.0000  0.0000  11.793  2.0371 ?       ?      231.652 20.993 0.000000       20.99276 
1 1 1 -11 18 27 o 101.961 34.979 2.3030  1.8219 0.0000  0.0000  2.3030  1.8219 ?       ?      101.961 34.979 0.000000       34.97882 
1 1 1 -11 18 28 o 133.190 35.016 4.2729  2.0012 0.0000  0.0000  4.2729  2.0012 ?       ?      133.190 35.016 0.000000       35.01607 
1 1 1 -11 19 1  o 494.343 20.880 52.025  4.3713 50.546  5.9563  53.751  6.4353 485.190 29.123 500.051 30.535 -14.86121      42.19635 
1 1 1 -11 19 2  o 137.703 30.862 4.2199  1.7552 1.6750  2.4909  6.7293  2.4735 105.211 40.172 174.005 34.783 -68.79377      53.13803 
1 1 1 -11 19 3  o 921.575 21.902 180.894 8.5479 176.413 11.624  186.172 12.614 907.684 30.239 931.846 31.965 -24.16162      44.00132 
1 1 1 -11 19 4  o 499.336 30.531 53.595  6.4251 0.0000  0.0000  53.595  6.4251 ?       ?      499.336 30.531 0.000000       30.53060 
1 1 1 -11 19 5  o 1141.88 22.905 277.894 11.076 279.741 15.196  275.801 16.178 1142.42 31.410 1133.30 33.709 9.115601       46.07463 
1 1 1 -11 19 6  o 1139.68 22.604 276.794 10.910 271.945 15.002  282.237 15.893 1126.29 31.452 1146.82 32.725 -20.53320      45.38906 
1 1 1 -11 19 7  o 463.568 29.608 46.192  5.7822 0.0000  0.0000  46.192  5.7822 ?       ?      463.568 29.608 0.000000       29.60810 
1 1 1 -11 19 8  o 912.568 30.627 178.487 11.836 0.0000  0.0000  178.487 11.836 ?       ?      912.568 30.627 0.000000       30.62727 
1 1 1 -11 19 9  o 90.660  30.880 1.6275  1.4197 0.5329  1.8701  3.1165  2.1811 82.445  33.720 120.846 38.127 -38.40121      50.89930 
1 1 1 -11 19 10 o 383.202 25.330 31.501  4.0874 31.501  4.0874  0.0000  0.0000 383.202 25.330 ?       ?      0.000000       25.32953 
1 1 1 -11 19 11 f 447.597 17.985 42.618  3.4090 39.572  4.4840  46.791  5.2478 429.726 24.744 466.974 26.647 -37.24762      36.36358 
1 1 1 -11 19 12 o 364.991 15.511 28.312  2.3976 25.531  3.5754  30.583  3.2320 344.795 24.649 378.338 20.245 -33.54315      31.89727 
1 1 1 -11 19 13 o 127.252 29.534 3.6147  1.5609 3.8393  2.4138  3.4533  2.0463 132.222 39.827 125.067 36.421 7.154930       53.96914 
1 1 1 -11 19 14 o 357.934 15.432 27.246  2.3392 29.300  3.6962  25.873  3.0212 369.354 23.756 347.617 20.614 21.73685       31.45348 
1 1 1 -11 19 15 o 578.604 24.860 71.781  6.0915 0.0000  0.0000  71.781  6.0915 ?       ?      578.604 24.860 0.000000       24.85994 
1 1 1 -11 19 16 o 308.227 14.229 20.210  1.8573 19.522  3.2822  20.534  2.2527 300.236 26.073 309.885 17.234 -9.649109      31.25393 
1 1 1 -11 19 17 o 652.558 13.958 90.614  3.8573 100.259 6.5555  85.507  4.7705 683.666 22.642 632.925 17.798 50.74011       28.79991 
1 1 1 -11 19 18 o 380.714 13.531 30.849  2.1816 37.877  3.9732  27.816  2.6103 419.396 22.452 360.964 17.076 58.43277       28.20768 
1 1 1 -11 19 19 o 381.990 13.425 31.069  2.1717 28.743  3.9304  32.092  2.6055 363.891 25.669 387.798 15.865 -23.90723      30.17655 
1 1 1 -11 19 20 o 196.824 15.923 8.3256  1.3159 14.267  2.6683  6.4162  1.5126 255.768 24.952 171.520 21.282 84.24725       32.79517 
1 1 1 -11 19 21 o 75.296  23.299 1.2236  0.8188 1.0174  2.4132  1.2504  0.8705 95.075  38.523 76.404  24.085 18.67093       45.43224 
1 1 1 -11 19 22 o 214.421 16.850 9.9163  1.5177 5.3555  3.5144  10.962  1.6827 151.174 48.472 225.282 17.783 -74.10799      51.63100 
1 1 1 -11 19 23 o 377.530 15.509 30.555  2.4795 38.443  5.1295  28.150  2.8325 416.059 29.299 360.947 18.593 55.11276       34.70090 
1 1 1 -11 19 24 o 431.110 16.034 39.923  2.9273 55.373  6.3077  35.682  3.3047 498.130 30.042 406.313 19.206 91.81656       35.65612 
1 1 1 -11 19 25 o 192.988 21.190 8.1944  1.7033 0.0000  0.0000  8.1944  1.7033 ?       ?      192.988 21.190 0.000000       21.19001 
1 1 1 -11 19 26 o 229.178 26.555 11.820  2.5295 0.0000  0.0000  11.820  2.5295 ?       ?      229.178 26.555 0.000000       26.55506 
1 1 1 -11 19 27 o 364.445 19.477 29.048  2.9951 26.500  5.0158  30.460  3.7339 335.699 35.835 370.252 23.942 -34.55249      43.09734 
1 1 1 -11 19 28 o 254.070 20.149 14.199  2.1502 15.429  3.4263  13.400  2.7617 257.893 32.065 243.052 27.303 14.84059       42.11392 
1 1 1 -11 20 1  o 345.500 21.648 25.529  3.1515 27.291  4.2918  23.468  4.6426 355.968 28.714 328.796 33.824 27.17249       44.36898 
1 1 1 -11 20 2  o 268.471 23.841 15.492  2.6824 16.744  3.6621  14.043  3.9401 277.675 31.711 252.531 38.021 25.14345       49.50942 
1 1 1 -11 20 3  o 357.185 21.516 27.272  3.2394 26.377  4.3491  28.388  4.8549 349.761 29.641 362.429 31.958 -12.66809      43.58761 
1 1 1 -11 20 4  f 597.772 20.418 76.069  5.1689 74.638  7.0005  77.785  7.6646 590.738 27.983 602.607 30.034 -11.86908      41.04939 
1 1 1 -11 20 5  o 578.003 20.190 71.115  4.9420 65.985  6.6535  77.428  7.3810 554.633 28.423 601.440 28.979 -46.80701      40.59089 
1 1 1 -11 20 6  o 606.965 19.712 78.405  5.0667 72.846  6.8802  84.992  7.4894 583.584 27.839 630.311 28.057 -46.72736      39.52502 
1 1 1 -11 20 7  f 528.437 19.664 59.433  4.4005 57.444  5.9799  61.783  6.4989 517.574 27.380 536.487 28.709 -18.91315      39.67157 
1 1 1 -11 20 8  o 363.279 20.009 28.180  3.0664 23.858  4.0860  33.753  4.6397 332.486 29.319 396.228 27.827 -63.74258      40.42175 
1 1 1 -11 20 9  o 262.474 30.253 14.962  3.3013 0.0000  0.0000  14.962  3.3013 ?       ?      262.474 30.253 0.000000       30.25332 
1 1 1 -11 20 10 o 227.432 20.634 11.109  1.9657 9.8475  2.6178  12.741  2.9766 212.265 29.954 242.012 29.664 -29.74696      42.15670 
1 1 1 -11 20 11 o 205.304 27.806 9.1892  2.3553 9.1892  2.3553  0.0000  0.0000 205.304 27.806 ?       ?      0.000000       27.80559 
1 1 1 -11 20 12 o 486.767 18.480 50.454  3.8094 47.350  4.8000  55.734  6.2614 470.018 24.197 508.682 29.188 -38.66406      37.91314 
1 1 1 -11 20 13 o 121.755 27.010 3.3024  1.3562 3.1527  2.2142  3.3923  1.7158 121.186 38.434 123.196 32.440 -2.010582      50.29456 
1 1 1 -11 20 14 o 547.270 17.481 63.805  4.0514 65.101  5.3532  62.067  6.1984 551.604 22.916 536.749 27.360 14.85480       35.68886 
1 1 1 -11 20 15 o 523.977 25.370 58.963  5.6295 0.0000  0.0000  58.963  5.6295 ?       ?      523.977 25.370 0.000000       25.36982 
1 1 1 -11 20 16 o 621.450 13.832 82.161  3.6402 84.939  6.1594  80.669  4.5126 629.236 23.114 614.965 17.327 14.27106       28.88778 
1 1 1 -11 20 17 o 134.398 19.817 3.9458  1.0941 0.8593  2.3971  4.7579  1.2296 93.962  38.274 147.763 20.177 -53.80145      43.26703 
1 1 1 -11 20 18 o 243.407 14.874 12.675  1.5259 13.075  2.9952  12.534  1.7733 243.664 29.636 241.590 17.450 2.074524       34.39174 
1 1 1 -11 20 19 o 174.430 16.546 6.5566  1.2077 6.5030  2.5915  6.5715  1.3649 168.435 37.313 174.192 18.801 -5.756775      41.78191 
1 1 1 -11 20 20 o 143.144 17.094 4.4440  1.0158 0.7609  2.3461  5.2938  1.1269 91.634  37.657 156.360 17.308 -64.72544      41.44401 
1 1 1 -11 20 21 o 370.827 14.330 29.360  2.2505 35.741  4.3085  26.966  2.6391 404.918 25.251 354.649 17.572 50.26932       30.76347 
1 1 1 -11 20 22 o 175.644 18.712 6.7133  1.3704 3.0924  3.3439  7.4442  1.5024 125.195 46.824 184.856 19.485 -59.66022      50.71597 
1 1 1 -11 20 23 o 210.107 17.328 9.5612  1.5280 5.5424  3.8280  10.323  1.6666 152.032 50.710 218.122 18.208 -66.08969      53.87972 
1 1 1 -11 20 24 o 210.689 18.097 9.6451  1.5990 13.241  4.2595  9.0552  1.7252 234.064 44.600 203.428 20.297 30.63612       49.00141 
1 1 1 -11 20 25 o 259.225 18.138 14.606  1.9786 19.247  5.1036  13.785  2.1465 281.638 44.249 250.952 20.373 30.68576       48.71391 
1 1 1 -11 20 26 o 143.140 32.890 4.8574  1.9518 0.0000  0.0000  4.8574  1.9518 ?       ?      143.140 32.890 0.000000       32.88953 
1 1 1 -11 20 27 f 177.422 22.160 7.0250  1.6287 0.0000  0.0000  7.0250  1.6287 ?       ?      177.422 22.160 0.000000       22.16030 
1 1 1 -11 21 1  o 642.462 21.171 87.955  5.7600 92.250  7.8230  82.869  8.5125 656.373 28.143 620.140 32.527 36.23383       43.01213 
1 1 1 -11 21 2  o 168.951 28.661 6.2766  1.9774 4.3449  2.6405  8.7430  2.9837 140.415 41.510 198.319 36.883 -57.90446      55.52904 
1 1 1 -11 21 3  o 123.573 33.832 3.3883  1.8223 2.5681  2.4564  4.3922  2.7176 115.479 40.559 141.351 42.188 -25.87157      58.52225 
1 1 1 -11 21 4  o 586.991 20.316 73.369  5.0502 74.868  6.8522  71.586  7.4722 591.618 27.349 576.968 30.692 14.64935       41.10910 
1 1 1 -11 21 5  o 413.855 20.257 36.470  3.5503 40.296  4.8616  32.099  5.1969 433.349 26.620 385.355 32.138 47.99448       41.73063 
1 1 1 -11 21 6  o 419.714 19.819 37.504  3.5227 39.621  4.7725  34.970  5.2212 429.723 26.352 402.609 30.858 27.11398       40.57894 
1 1 1 -11 21 7  o 342.223 20.516 25.034  2.9596 23.382  3.9564  27.132  4.4597 329.200 28.665 354.506 29.987 -25.30582      41.48378 
1 1 1 -11 21 8  o 205.234 21.936 9.0810  1.8770 8.6378  2.5411  9.6132  2.7847 198.262 31.304 209.128 32.498 -10.86540      45.12238 
1 1 1 -11 21 9  o 193.804 23.328 8.1306  1.8762 9.3534  2.5004  6.5549  2.8382 206.865 29.366 170.603 39.982 36.26196       49.60725 
1 1 1 -11 21 10 o 604.414 27.847 78.298  7.1278 0.0000  0.0000  78.298  7.1278 ?       ?      604.414 27.847 0.000000       27.84698 
1 1 1 -11 21 11 o 235.811 25.603 12.039  2.5158 0.0000  0.0000  12.039  2.5158 ?       ?      235.811 25.603 0.000000       25.60336 
1 1 1 -11 21 12 o 240.094 24.145 12.455  2.4217 14.199  3.0518  9.4892  3.9795 255.526 28.698 203.814 47.057 51.71199       55.11768 
1 1 1 -11 21 13 o 454.797 18.106 44.082  3.4872 42.455  4.6172  46.242  5.3206 444.453 24.627 463.158 27.246 -18.70480      36.72653 
1 1 1 -11 21 14 o 486.472 17.580 50.448  3.6218 51.107  4.8327  49.604  5.4702 488.388 23.366 479.468 27.051 8.919861       35.74497 
1 1 1 -11 21 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 21 16 o 360.874 14.212 27.723  2.1720 28.907  3.7325  27.117  2.6708 365.881 24.226 356.386 17.696 9.495331       30.00049 
1 1 1 -11 21 17 o 403.129 13.665 34.598  2.3330 31.556  4.0462  36.114  2.8554 381.753 25.169 411.373 16.390 -29.61984      30.03543 
1 1 1 -11 21 18 o 351.277 13.645 26.282  2.0299 23.950  3.7792  27.228  2.4064 331.436 27.164 357.164 15.910 -25.72699      31.48012 
1 1 1 -11 21 19 o 215.780 15.547 9.9909  1.4112 13.604  2.9006  8.8705  1.6153 248.699 28.029 202.560 19.054 46.13968       33.89210 
1 1 1 -11 21 20 o 385.288 13.668 31.657  2.2301 30.419  4.0888  32.181  2.6607 373.399 26.020 387.910 16.197 -14.51089      30.64902 
1 1 1 -11 21 21 o 350.133 14.428 26.198  2.1394 26.418  4.1272  26.117  2.5017 346.048 28.414 348.992 16.927 -2.944122      33.07357 
1 1 1 -11 21 22 o 152.590 21.325 5.1357  1.3404 10.536  3.3715  4.1219  1.4608 212.276 38.939 134.963 26.504 77.31372       47.10308 
1 1 1 -11 21 23 o 268.022 16.683 15.507  1.8842 15.194  4.1641  15.587  2.1129 254.405 39.968 268.059 18.730 -13.65323      44.13896 
1 1 1 -11 21 24 o 254.982 17.936 14.103  1.9244 21.822  4.7539  12.590  2.1045 306.477 37.403 239.804 20.933 66.67253       42.86264 
1 1 1 -11 21 25 o 269.230 17.111 15.727  1.9408 13.650  5.1581  16.069  2.0947 227.621 54.274 271.688 18.312 -44.06609      57.28005 
1 1 1 -11 21 26 o 228.460 18.510 11.422  1.7755 10.233  3.8289  11.747  2.0040 200.450 46.071 230.783 20.725 -30.33356      50.51771 
1 1 1 -11 21 27 f 369.863 19.321 29.938  3.0158 0.0000  0.0000  29.938  3.0158 ?       ?      369.863 19.321 0.000000       19.32103 
1 1 1 -11 22 1  o 126.425 40.771 3.3927  2.4836 3.3927  2.4836  0.0000  0.0000 126.425 40.771 ?       ?      0.000000       40.77067 
1 1 1 -11 22 2  o 386.503 21.533 31.949  3.5105 33.971  4.8021  29.629  5.1446 397.075 28.752 369.588 33.225 27.48697       43.93790 
1 1 1 -11 22 3  o 269.874 23.323 15.659  2.6394 14.469  3.5664  17.100  3.9245 257.214 33.539 279.897 33.793 -22.68262      47.61107 
1 1 1 -11 22 4  o 397.132 20.752 33.696  3.4780 31.474  4.7251  36.324  5.1379 382.023 29.433 410.486 29.758 -28.46228      41.85535 
1 1 1 -11 22 5  o 237.318 23.525 12.138  2.3332 11.504  3.1197  12.942  3.5147 228.991 33.133 242.634 35.235 -13.64218      48.36665 
1 1 1 -11 22 6  o 186.056 24.365 7.5173  1.8737 4.5575  2.4983  11.322  2.8326 142.910 39.804 227.812 30.097 -84.90224      49.90223 
1 1 1 -11 22 7  o 660.992 19.487 93.048  5.4550 86.227  7.4450  100.955 8.0156 634.444 27.709 686.533 27.569 -52.08978      39.08819 
1 1 1 -11 22 8  o 492.804 18.890 51.711  3.9422 47.623  5.3465  56.582  5.8359 470.832 26.926 513.333 26.939 -42.50076      38.08806 
1 1 1 -11 22 9  o 349.228 18.920 26.050  2.7877 22.251  3.6725  31.215  4.2821 321.112 27.264 380.833 26.720 -59.72174      38.17435 
1 1 1 -11 22 10 o 174.990 23.274 6.6564  1.6820 9.0759  2.2448  3.5594  2.5397 204.132 26.599 128.855 41.195 75.27751       49.03572 
1 1 1 -11 22 11 f 417.872 20.832 37.271  3.6865 0.0000  0.0000  37.271  3.6865 ?       ?      417.872 20.832 0.000000       20.83194 
1 1 1 -11 22 12 o 303.167 21.492 19.737  2.7414 0.0000  0.0000  19.737  2.7414 ?       ?      303.167 21.492 0.000000       21.49167 
1 1 1 -11 22 13 o 554.487 19.348 65.633  4.5432 0.0000  0.0000  65.633  4.5432 ?       ?      554.487 19.348 0.000000       19.34761 
1 1 1 -11 22 14 o 365.850 15.566 28.505  2.4117 30.593  3.8566  27.164  3.0904 376.710 24.304 355.799 20.598 20.91150       31.85870 
1 1 1 -11 22 15 o 171.276 40.250 6.7166  2.8700 0.0000  0.0000  6.7166  2.8700 ?       ?      171.276 40.250 0.000000       40.24953 
1 1 1 -11 22 16 o 904.303 25.411 176.344 9.7314 176.344 9.7314  0.0000  0.0000 904.303 25.411 ?       ?      0.000000       25.41086 
1 1 1 -11 22 17 o 104.027 29.676 2.4141  1.3715 2.6330  2.2460  2.2840  1.7319 112.982 38.833 103.753 34.085 9.229233       51.67014 
1 1 1 -11 22 18 o 292.997 17.706 18.433  2.1867 18.804  3.4372  18.180  2.8343 292.944 28.049 289.514 23.314 3.429840       36.47325 
1 1 1 -11 22 19 o 255.196 14.838 13.946  1.5966 18.106  3.1606  12.521  1.8501 287.737 26.225 241.045 18.259 46.69225       31.95574 
1 1 1 -11 22 20 o 374.804 13.866 29.981  2.2009 32.908  4.0884  28.787  2.6117 388.526 24.980 366.583 16.823 21.94281       30.11688 
1 1 1 -11 22 21 o 557.193 14.333 66.392  3.3822 66.648  6.1573  66.281  4.0475 551.849 26.347 555.525 17.204 -3.675842      31.46631 
1 1 1 -11 22 22 o 164.599 19.938 5.9412  1.3615 6.4584  3.4964  5.8488  1.4782 162.334 47.703 162.691 22.020 -0.3569489     52.54034 
1 1 1 -11 22 23 o 340.716 15.748 24.939  2.2722 27.486  4.7790  24.196  2.5828 348.196 32.796 334.283 18.314 13.91379       37.56309 
1 1 1 -11 22 24 o 582.075 20.586 73.728  5.0744 87.696  8.0539  64.533  6.5346 624.925 30.432 537.009 28.839 87.91632       41.92652 
1 1 1 -11 22 25 o 232.711 23.719 12.062  2.3049 9.4529  5.0970  12.732  2.5842 184.920 58.278 237.966 26.069 -53.04688      63.84327 
1 1 1 -11 22 26 o 209.927 24.215 9.8910  2.1133 15.073  3.5496  7.0456  2.6302 253.454 33.921 170.141 37.513 83.31374       50.57524 
1 1 1 -11 22 27 o 156.372 27.110 5.6255  1.7302 6.6952  2.8891  5.0273  2.1605 163.303 41.646 143.954 35.631 19.34940       54.80803 
1 1 1 -11 23 1  o 265.746 32.031 15.425  3.5321 15.425  3.5321  0.0000  0.0000 265.746 32.031 ?       ?      0.000000       32.03053 
1 1 1 -11 23 2  o 402.442 29.530 34.972  4.9976 34.972  4.9976  0.0000  0.0000 402.442 29.530 ?       ?      0.000000       29.52951 
1 1 1 -11 23 3  o 493.464 20.368 51.911  4.2564 54.203  5.8293  49.294  6.2294 502.119 27.519 477.808 30.952 24.31137       41.41606 
1 1 1 -11 23 4  o 404.411 20.392 34.951  3.4811 36.162  4.7475  33.541  5.1196 409.864 27.511 393.798 30.948 16.06592       41.40807 
1 1 1 -11 23 5  o 310.568 21.598 20.675  2.8230 23.432  3.8468  17.457  4.1555 329.466 27.831 282.171 35.565 47.29514       45.16037 
1 1 1 -11 23 6  o 230.881 22.538 11.487  2.1756 11.503  2.9266  11.467  3.2527 229.318 30.924 228.011 34.787 1.307068       46.54485 
1 1 1 -11 23 7  o 484.844 19.259 50.085  3.9545 54.222  5.3890  45.259  5.8208 502.703 25.396 457.889 30.187 44.81363       39.44890 
1 1 1 -11 23 8  o 349.510 19.451 26.115  2.8677 22.373  3.8618  30.714  4.2817 321.555 28.659 377.565 26.955 -56.00912      39.34367 
1 1 1 -11 23 9  o 385.599 18.523 31.679  3.0248 26.697  3.9978  38.351  4.6262 351.761 27.044 422.232 25.999 -70.47107      37.51387 
1 1 1 -11 23 10 o 216.422 20.527 10.085  1.8588 11.736  2.4995  8.0423  2.7805 232.576 25.813 189.624 35.940 42.95265       44.24892 
1 1 1 -11 23 11 o 298.318 16.817 19.012  2.1159 18.665  3.2116  19.279  2.8127 293.748 26.089 299.404 22.344 -5.655609      34.34914 
1 1 1 -11 23 12 o 260.705 18.082 14.564  1.9840 17.265  3.3433  13.095  2.4650 281.698 28.414 246.007 23.965 35.69133       37.17071 
1 1 1 -11 23 13 o 544.679 19.068 63.366  4.3984 0.0000  0.0000  63.366  4.3984 ?       ?      544.679 19.068 0.000000       19.06821 
1 1 1 -11 23 14 o 351.187 19.870 26.464  2.9431 0.0000  0.0000  26.464  2.9431 ?       ?      351.187 19.870 0.000000       19.87024 
1 1 1 -11 23 15 o 213.831 22.132 9.9157  1.9751 0.0000  0.0000  9.9157  1.9751 ?       ?      213.831 22.132 0.000000       22.13162 
1 1 1 -11 23 16 o 497.710 13.909 52.763  2.9318 50.527  4.9440  53.975  3.6410 484.206 24.111 502.640 17.105 -18.43463      29.56175 
1 1 1 -11 23 17 o 437.520 17.719 40.952  3.2831 42.765  4.5148  38.917  4.7829 444.573 24.070 422.931 26.843 21.64294       36.05422 
1 1 1 -11 23 18 o 474.084 24.833 48.755  4.9683 48.755  4.9683  0.0000  0.0000 474.084 24.833 ?       ?      0.000000       24.83266 
1 1 1 -11 23 19 o 246.068 17.905 13.049  1.8530 11.419  3.0634  13.989  2.3270 225.347 33.086 253.770 21.867 -28.42368      39.65879 
1 1 1 -11 23 20 o 46.862  21.477 -0.6529 0.9639 0.6498  2.2246  -0.9539 1.0695 88.033  36.471 47.143  21.960 40.89048       42.57188 
1 1 1 -11 23 21 o 201.025 21.231 8.8487  1.7801 12.341  3.0695  7.0792  2.1850 233.479 31.877 176.494 30.327 56.98460       43.99842 
1 1 1 -11 23 22 o 126.654 27.161 3.6631  1.4131 3.4166  3.1095  3.7273  1.5864 125.831 45.474 127.057 29.969 -1.225922      54.46114 
1 1 1 -11 23 23 o 266.817 21.859 15.613  2.4482 17.558  4.4273  14.756  2.9384 273.174 39.410 256.826 27.441 16.34805       48.02242 
1 1 1 -11 23 24 o 225.951 22.957 11.314  2.1662 11.323  4.3024  11.310  2.5072 210.690 49.125 224.084 26.961 -13.39429      56.03701 
1 1 1 -11 23 25 o 123.942 22.754 3.4812  1.1503 2.1759  2.5525  3.8138  1.2885 105.772 40.599 129.286 24.430 -23.51424      47.38257 
1 1 1 -11 23 26 o 96.701  25.419 2.1631  1.0546 3.1134  2.7128  1.9939  1.1447 117.159 42.454 93.050  27.281 24.10872       50.46389 
1 1 1 -11 24 1  o 267.770 35.825 15.809  3.9606 0.0000  0.0000  15.809  3.9606 ?       ?      267.770 35.825 0.000000       35.82457 
1 1 1 -11 24 2  o 600.019 28.291 77.370  7.1887 77.370  7.1887  0.0000  0.0000 600.019 28.291 ?       ?      0.000000       28.29063 
1 1 1 -11 24 3  o 551.678 27.567 65.335  6.4405 65.335  6.4405  0.0000  0.0000 551.678 27.567 ?       ?      0.000000       27.56713 
1 1 1 -11 24 4  o 324.776 21.554 22.618  2.9476 23.708  4.0421  21.380  4.3078 330.865 29.145 313.077 32.987 17.78748       44.01830 
1 1 1 -11 24 5  o 433.790 19.915 40.130  3.6586 43.908  5.0334  35.898  5.3271 451.793 26.422 407.070 31.138 44.72272       40.83759 
1 1 1 -11 24 6  o 491.201 19.429 51.441  4.0417 48.826  5.4956  54.522  5.9647 476.201 27.366 503.067 28.110 -26.86594      39.23092 
1 1 1 -11 24 7  o 192.661 23.387 8.0525  1.8690 8.2047  2.5375  7.8720  2.7633 192.527 32.264 187.579 36.096 4.948105       48.41380 
1 1 1 -11 24 8  o 387.748 18.902 32.055  3.1039 28.847  4.1719  36.032  4.6453 365.549 27.143 408.800 26.984 -43.25055      38.27382 
1 1 1 -11 24 9  o 606.672 15.953 78.333  4.0988 73.647  6.3071  81.759  5.3928 585.947 25.417 618.747 20.580 -32.80060      32.70450 
1 1 1 -11 24 10 o 301.859 18.290 19.501  2.3270 16.281  3.0649  23.884  3.5758 273.969 26.758 332.596 25.583 -58.62692      37.01974 
1 1 1 -11 24 11 o 313.205 17.293 20.975  2.2848 23.610  3.6857  19.330  2.9118 330.268 26.576 299.469 23.139 30.79892       35.23807 
1 1 1 -11 24 12 o 136.108 27.014 4.1266  1.5022 3.9908  2.4865  4.2046  1.8851 133.844 40.447 136.468 32.984 -2.623230      52.19055 
1 1 1 -11 24 13 o 357.931 15.637 27.301  2.3703 25.091  3.7520  28.769  3.0578 340.227 26.243 366.213 19.790 -25.98557      32.86889 
1 1 1 -11 24 14 o 251.110 21.632 13.624  2.2780 12.350  2.9342  15.556  3.6141 236.807 29.927 265.196 32.886 -28.38934      44.46433 
1 1 1 -11 24 15 o 418.125 17.895 37.380  3.1686 0.0000  0.0000  37.380  3.1686 ?       ?      418.125 17.895 0.000000       17.89466 
1 1 1 -11 24 16 o 62.020  25.735 0.2277  1.1101 0.0000  0.0000  0.2277  1.1101 ?       ?      62.020  25.735 0.000000       25.73454 
1 1 1 -11 24 17 o 267.446 17.770 15.377  2.0012 0.0000  0.0000  15.377  2.0012 ?       ?      267.446 17.770 0.000000       17.76988 
1 1 1 -11 24 18 o 211.448 29.311 9.9416  2.5541 0.0000  0.0000  9.9416  2.5541 ?       ?      211.448 29.311 0.000000       29.31099 
1 1 1 -11 24 19 o 207.335 29.135 9.5948  2.4876 0.0000  0.0000  9.5948  2.4876 ?       ?      207.335 29.135 0.000000       29.13487 
1 1 1 -11 24 20 o 164.114 19.570 5.8889  1.3333 0.0000  0.0000  5.8889  1.3333 ?       ?      164.114 19.570 0.000000       19.56963 
1 1 1 -11 24 21 o 482.897 17.259 50.203  3.5296 0.0000  0.0000  50.203  3.5296 ?       ?      482.897 17.259 0.000000       17.25937 
1 1 1 -11 24 22 o 305.412 17.925 20.196  2.3082 0.0000  0.0000  20.196  2.3082 ?       ?      305.412 17.925 0.000000       17.92491 
1 1 1 -11 24 23 o 117.132 27.745 3.1656  1.3551 0.0000  0.0000  3.1656  1.3551 ?       ?      117.132 27.745 0.000000       27.74502 
1 1 1 -11 24 24 o 463.905 17.922 46.683  3.5210 0.0000  0.0000  46.683  3.5210 ?       ?      463.905 17.922 0.000000       17.92216 
1 1 1 -11 24 25 o 139.811 20.536 4.3652  1.1797 4.2779  3.1662  4.3793  1.2712 132.273 46.070 139.429 22.279 -7.155792      51.17393 
1 1 1 -11 24 26 o 145.169 25.041 4.8152  1.4839 0.0000  0.0000  4.8152  1.4839 ?       ?      145.169 25.041 0.000000       25.04133 
1 1 1 -11 25 1  o 348.663 33.133 26.563  4.8334 0.0000  0.0000  26.563  4.8334 ?       ?      348.663 33.133 0.000000       33.13272 
1 1 1 -11 25 2  o 534.550 30.331 61.843  6.8380 0.0000  0.0000  61.843  6.8380 ?       ?      534.550 30.331 0.000000       30.33101 
1 1 1 -11 25 3  o 130.724 39.701 3.7670  2.3913 3.7670  2.3913  0.0000  0.0000 130.724 39.701 ?       ?      0.000000       39.70119 
1 1 1 -11 25 4  o 182.468 34.932 7.4486  2.6010 7.4486  2.6010  0.0000  0.0000 182.468 34.932 ?       ?      0.000000       34.93169 
1 1 1 -11 25 5  o 406.602 19.822 35.284  3.4132 36.559  4.6593  33.808  5.0142 411.693 26.871 394.868 30.215 16.82535       40.43510 
1 1 1 -11 25 6  o 342.804 19.933 25.167  2.8812 25.050  3.8924  25.310  4.2852 340.345 27.234 341.386 29.943 -1.040833      40.47547 
1 1 1 -11 25 7  o 187.109 24.025 7.6205  1.8597 8.3585  2.4519  6.6208  2.8537 194.533 30.787 170.710 40.147 23.82317       50.59287 
1 1 1 -11 25 8  o 186.389 22.817 7.5456  1.7634 7.9062  2.3597  7.0895  2.6538 189.100 30.504 177.398 36.541 11.70168       47.59936 
1 1 1 -11 25 9  o 443.272 18.188 41.915  3.4143 41.630  4.5136  42.296  5.2202 439.844 24.326 442.213 28.019 -2.369415      37.10590 
1 1 1 -11 25 10 o 294.564 18.913 18.602  2.3468 14.954  3.0542  23.861  3.6669 261.935 27.966 331.995 26.296 -70.05984      38.38707 
1 1 1 -11 25 11 o 139.759 26.446 4.3406  1.5079 3.5083  2.6678  4.7313  1.8280 128.106 42.314 145.170 30.693 -17.06461      52.27419 
1 1 1 -11 25 12 f 330.705 16.222 23.320  2.2719 21.809  3.5794  24.339  2.9401 316.809 26.934 336.501 20.733 -19.69238      33.98985 
1 1 1 -11 25 13 o 248.291 18.080 13.243  1.8881 14.561  3.0393  12.415  2.4094 257.875 28.295 239.007 24.134 18.86819       37.18977 
1 1 1 -11 25 14 o 117.327 27.814 3.0995  1.3609 3.4500  2.3985  2.9331  1.6528 125.299 40.030 114.345 32.563 10.95369       51.60157 
1 1 1 -11 25 15 o 325.196 18.699 22.720  2.5644 0.0000  0.0000  22.720  2.5644 ?       ?      325.196 18.699 0.000000       18.69939 
1 1 1 -11 25 16 o 380.574 14.456 30.891  2.3299 35.934  4.0520  28.400  2.8477 407.398 23.587 363.606 18.555 43.79208       30.01076 
1 1 1 -11 25 17 o 121.734 23.469 3.3049  1.1661 4.5060  2.5179  2.9770  1.3157 139.825 40.308 114.745 27.444 25.07922       48.76433 
1 1 1 -11 25 18 o 284.923 14.854 17.393  1.7861 11.735  3.4346  19.490  2.0912 226.592 37.075 301.269 16.453 -74.67712      40.56142 
1 1 1 -11 25 19 o 454.960 13.768 44.224  2.6528 48.045  4.8413  42.585  3.1712 469.127 24.453 445.472 16.810 23.65488       29.67361 
1 1 1 -11 25 20 o 156.901 26.691 5.5463  1.7100 11.292  2.6438  1.4142  2.2421 224.505 28.446 95.910  37.701 128.5959       47.22874 
1 1 1 -11 25 21 o 192.374 24.016 8.2134  1.9139 8.9433  2.8186  7.5889  2.6071 196.074 35.240 180.188 35.428 15.88617       49.97046 
1 1 1 -11 25 22 o 292.995 16.332 18.538  2.0184 16.070  4.2801  19.244  2.2889 260.486 40.084 297.830 18.235 -37.34390      44.03740 
1 1 1 -11 25 23 o 271.519 16.727 15.980  1.9140 13.393  4.4128  16.579  2.1242 231.375 46.646 275.970 18.279 -44.59471      50.09930 
1 1 1 -11 25 24 o 122.177 24.398 3.4162  1.2182 4.2363  2.5824  3.1815  1.3815 131.420 41.489 116.667 28.261 14.75237       50.20010 
1 1 1 -11 25 25 o 233.480 17.011 11.890  1.6704 13.423  3.1887  11.310  1.9610 239.671 32.233 226.107 20.710 13.56369       38.31305 
1 1 1 -11 26 1  o 195.609 26.242 8.3720  2.1190 6.7982  2.8914  10.198  3.1146 172.643 40.283 213.670 35.678 -41.02713      53.81108 
1 1 1 -11 26 2  o 276.666 34.578 16.887  3.9629 0.0000  0.0000  16.887  3.9629 ?       ?      276.666 34.578 0.000000       34.57801 
1 1 1 -11 26 3  o 202.749 38.037 9.2544  3.1460 0.0000  0.0000  9.2544  3.1460 ?       ?      202.749 38.037 0.000000       38.03694 
1 1 1 -11 26 4  o 287.810 29.789 18.068  3.5782 18.068  3.5782  0.0000  0.0000 287.810 29.789 ?       ?      0.000000       29.78862 
1 1 1 -11 26 5  o 379.457 27.624 31.167  4.4086 31.167  4.4086  0.0000  0.0000 379.457 27.624 ?       ?      0.000000       27.62430 
1 1 1 -11 26 6  o 527.856 19.247 59.496  4.3025 57.602  5.7997  61.815  6.4163 516.777 26.591 534.693 28.438 -17.91638      38.93336 
1 1 1 -11 26 7  o 303.485 19.834 19.762  2.5352 15.768  3.3939  24.804  3.8131 268.417 30.393 338.432 26.825 -70.01508      40.53734 
1 1 1 -11 26 8  o 200.697 20.242 8.6973  1.6969 9.0480  2.4425  8.3700  2.3593 202.679 29.308 194.735 29.536 7.943390       41.60892 
1 1 1 -11 26 9  o 234.960 20.005 11.889  1.9716 13.760  2.6138  9.4181  3.0031 251.834 24.832 204.913 35.916 46.92166       43.66416 
1 1 1 -11 26 10 o 174.274 24.106 6.6458  1.7315 1.8661  2.5378  10.808  2.3683 106.799 40.603 222.656 25.581 -115.8562      47.98975 
1 1 1 -11 26 11 o 157.824 24.471 5.4805  1.5826 4.6298  2.5918  5.9863  1.9984 142.721 40.823 163.749 29.921 -21.02809      50.61421 
1 1 1 -11 26 12 o 186.474 21.500 7.5563  1.6668 6.8678  2.6909  7.9849  2.1231 173.449 37.709 190.391 27.096 -16.94193      46.43437 
1 1 1 -11 26 13 o 768.854 18.484 126.493 6.0184 122.030 8.0135  132.267 9.1150 751.820 25.169 781.233 27.551 -29.41357      37.31636 
1 1 1 -11 26 14 o 231.750 18.236 11.565  1.7753 13.152  2.9619  10.675  2.2178 244.248 29.215 221.213 24.062 23.03510       37.84815 
1 1 1 -11 26 15 o 441.724 17.722 41.767  3.3152 0.0000  0.0000  41.767  3.3152 ?       ?      441.724 17.722 0.000000       17.72211 
1 1 1 -11 26 16 f 628.018 14.346 84.152  3.8154 91.669  6.4959  80.193  4.7142 651.294 23.552 611.654 18.199 39.64014       29.76399 
1 1 1 -11 26 17 o 214.562 17.085 9.9241  1.5396 13.551  2.9386  8.5520  1.8075 247.419 28.571 197.897 21.936 49.52133       36.02054 
1 1 1 -11 26 18 o 240.829 16.181 12.483  1.6407 14.165  3.1874  11.876  1.9136 251.704 30.527 234.027 19.486 17.67740       36.21593 
1 1 1 -11 26 19 o 206.751 16.326 9.2328  1.4178 10.830  2.9588  8.7569  1.6154 217.922 33.101 200.545 19.257 17.37758       38.29556 
1 1 1 -11 26 20 o 201.701 16.881 8.8155  1.4287 8.8167  3.0004  8.8151  1.6248 193.399 37.988 200.995 19.326 -7.595840      42.62195 
1 1 1 -11 26 21 o 286.253 15.379 17.653  1.8575 15.090  3.7348  18.495  2.1411 255.345 35.498 292.339 17.372 -36.99420      39.52102 
1 1 1 -11 26 22 o 267.084 21.783 15.682  2.4423 15.223  4.0981  15.936  3.0415 252.998 39.543 266.488 27.337 -13.48969      48.07290 
1 1 1 -11 26 23 o 226.730 24.532 11.506  2.3180 11.392  4.1539  11.558  2.7933 211.031 47.612 224.255 30.179 -13.22421      56.37113 
1 1 1 -11 26 24 o 360.076 17.847 28.202  2.7215 26.431  3.8232  30.021  3.8750 342.263 26.586 366.034 25.151 -23.77045      36.59703 
1 1 1 -11 26 25 o 332.014 18.842 24.146  2.6384 25.768  3.9311  22.817  3.5591 336.553 27.831 317.441 26.723 19.11191       38.58390 
1 1 1 -11 27 1  o 423.741 21.022 38.454  3.7725 42.054  5.2889  34.725  5.3825 440.191 28.525 398.481 32.170 41.70978       42.99507 
1 1 1 -11 27 2  o 374.700 20.618 30.137  3.2590 30.981  4.4346  29.145  4.8058 377.833 27.912 365.231 31.375 12.60175       41.99394 
1 1 1 -11 27 3  o 431.555 29.657 40.477  5.3872 0.0000  0.0000  40.477  5.3872 ?       ?      431.555 29.657 0.000000       29.65708 
1 1 1 -11 27 4  o 593.576 28.990 76.160  7.2873 0.0000  0.0000  76.160  7.2873 ?       ?      593.576 28.990 0.000000       28.98976 
1 1 1 -11 27 5  o 202.309 32.416 9.0964  2.6835 9.0964  2.6835  0.0000  0.0000 202.309 32.416 ?       ?      0.000000       32.41557 
1 1 1 -11 27 6  o 193.622 35.031 8.4123  2.7667 8.4123  2.7667  0.0000  0.0000 193.622 35.031 ?       ?      0.000000       35.03057 
1 1 1 -11 27 7  o 347.603 19.876 25.926  2.9137 22.236  3.8624  30.799  4.4387 319.442 28.863 376.623 28.030 -57.18100      40.23349 
1 1 1 -11 27 8  o 372.271 16.516 29.556  2.6037 25.136  3.8900  33.144  3.5045 340.200 27.229 392.770 21.147 -52.57040      34.47611 
1 1 1 -11 27 9  o 354.668 16.322 26.830  2.4515 21.486  3.5966  31.467  3.3504 314.241 27.298 382.700 20.750 -68.45932      34.28902 
1 1 1 -11 27 10 o 367.088 19.383 28.918  3.0026 32.505  4.2034  25.181  4.2905 387.329 25.773 339.220 30.182 48.10959       39.68878 
1 1 1 -11 27 11 o 156.048 26.495 5.4012  1.6883 4.4629  2.8709  5.8973  2.0874 140.804 43.636 161.902 31.578 -21.09874      53.86351 
1 1 1 -11 27 12 o 414.978 15.709 36.748  2.7607 41.017  4.4093  33.995  3.5407 435.559 23.997 397.358 21.116 38.20081       31.96488 
1 1 1 -11 27 13 o 358.382 16.035 27.429  2.4337 25.444  3.9325  28.661  3.0983 341.382 27.433 364.921 20.126 -23.53918      34.02370 
1 1 1 -11 27 14 o 300.401 16.275 19.340  2.0627 16.990  3.4159  20.689  2.5877 277.641 29.504 309.847 19.825 -32.20590      35.54611 
1 1 1 -11 27 15 o 447.945 14.421 42.817  2.7357 43.893  4.6787  42.258  3.3723 449.592 24.668 444.079 17.932 5.512482       30.49655 
1 1 1 -11 27 16 o 408.280 16.923 35.706  2.9260 32.986  4.2659  38.122  4.0211 388.580 26.074 419.367 22.726 -30.78699      34.58815 
1 1 1 -11 27 17 o 309.228 14.758 20.446  1.9326 20.062  3.5566  20.607  2.3022 301.286 28.203 309.316 17.648 -8.029816      33.26980 
1 1 1 -11 27 18 o 217.991 17.121 10.273  1.5679 12.773  3.1796  9.4704  1.8022 237.435 32.473 208.244 20.711 29.19109       38.51484 
1 1 1 -11 27 19 o 251.255 15.312 13.595  1.6215 16.008  3.3071  12.831  1.8605 266.869 29.769 243.228 18.194 23.64131       34.88900 
1 1 1 -11 27 20 o 261.995 15.918 14.811  1.7578 13.377  3.4310  15.321  2.0468 240.767 34.648 265.695 18.303 -24.92818      39.18503 
1 1 1 -11 27 21 f 275.124 16.090 16.353  1.8666 13.580  3.7673  17.255  2.1489 239.779 38.395 281.905 18.095 -42.12614      42.44558 
1 1 1 -11 27 22 o 246.700 17.185 13.229  1.7842 9.5182  4.2277  14.033  1.9681 190.594 51.262 253.629 18.450 -63.03465      54.48064 
1 1 1 -11 27 23 o 235.357 18.052 12.113  1.7856 17.443  4.1496  10.902  1.9781 270.122 37.267 221.827 21.319 48.29544       42.93410 
1 1 1 -11 27 24 f 165.982 19.390 6.1013  1.3372 2.7231  2.6086  7.3054  1.5574 111.613 41.432 181.300 20.653 -69.68682      46.29486 
1 1 1 -11 27 25 o 243.371 17.113 12.931  1.7526 17.595  3.4580  11.319  2.0330 275.977 30.074 225.633 21.538 50.34369       36.99088 
1 1 1 -11 28 1  o 287.634 22.842 17.882  2.7594 18.861  3.9634  16.961  3.8443 292.480 32.550 276.876 33.465 15.60449       46.68400 
1 1 1 -11 28 2  f 208.582 24.453 9.4860  2.1190 11.231  2.8715  7.3997  3.1400 225.413 30.893 179.222 42.089 46.19124       52.20966 
1 1 1 -11 28 3  o 199.513 25.654 8.7133  2.1174 9.1766  2.8025  8.0971  3.2321 202.537 33.869 187.734 41.734 14.80287       53.74848 
1 1 1 -11 28 4  o 219.565 35.119 10.786  3.1554 0.0000  0.0000  10.786  3.1554 ?       ?      219.565 35.119 0.000000       35.11889 
1 1 1 -11 28 5  f 500.076 28.777 54.323  6.0686 0.0000  0.0000  54.323  6.0686 ?       ?      500.076 28.777 0.000000       28.77692 
1 1 1 -11 28 6  f 473.549 18.865 47.953  3.7833 44.588  5.0625  52.211  5.6939 453.760 26.459 490.704 27.511 -36.94412      38.16986 
1 1 1 -11 28 7  o 365.464 21.210 28.734  3.2685 30.109  3.8628  25.268  6.1331 373.141 24.582 333.786 44.496 39.35471       50.83464 
1 1 1 -11 28 8  o 220.975 25.033 10.654  2.3013 9.8810  2.6351  13.139  4.7238 211.244 30.326 237.399 48.622 -26.15582      57.30386 
1 1 1 -11 28 9  f 125.374 27.915 3.5345  1.4441 2.5406  1.9269  4.8080  2.1811 109.281 35.955 145.146 35.724 -35.86491      50.68548 
1 1 1 -11 28 10 o 178.033 23.500 6.9386  1.7285 7.0531  2.8311  6.8706  2.1824 175.191 39.145 175.279 30.510 -0.8802795E-01 49.63057 
1 1 1 -11 28 11 o 378.080 18.617 30.609  2.9809 29.973  3.9842  31.418  4.4925 371.515 25.478 379.367 28.164 -7.851715      37.97799 
1 1 1 -11 28 12 o 499.673 15.440 53.296  3.2672 54.314  5.1864  52.626  4.2069 501.401 24.425 495.153 20.062 6.247772       31.60822 
1 1 1 -11 28 13 o 248.350 17.750 13.272  1.8546 10.138  3.0092  15.191  2.3550 211.895 34.738 264.930 21.167 -53.03441      40.67915 
1 1 1 -11 28 14 o 489.234 14.677 51.093  3.0409 46.950  4.9904  53.540  3.8352 464.588 25.461 499.757 18.121 -35.16837      31.25151 
1 1 1 -11 28 15 o 187.489 19.521 7.6361  1.5273 9.2580  2.8632  6.9912  1.8056 201.739 34.769 177.971 24.615 23.76830       42.60063 
1 1 1 -11 28 16 o 405.872 17.368 35.352  2.9852 34.492  4.4255  36.070  4.0437 396.616 26.501 407.076 23.557 -10.45996      35.45702 
1 1 1 -11 28 17 o 397.927 14.443 33.882  2.4340 30.960  4.4770  35.108  2.9000 373.837 28.494 404.272 16.939 -30.43488      33.14819 
1 1 1 -11 28 18 f 235.548 16.009 11.971  1.5874 9.7451  3.0864  12.771  1.8510 204.258 37.045 242.704 18.140 -38.44630      41.24758 
1 1 1 -11 28 19 o 118.268 23.394 3.1582  1.1302 5.1982  2.6851  2.7189  1.2460 146.771 41.403 108.835 27.129 37.93644       49.49907 
1 1 1 -11 28 20 o 276.341 15.998 16.489  1.8643 20.138  3.6547  15.205  2.1675 299.068 29.230 264.078 19.519 34.99014       35.14776 
1 1 1 -11 28 21 o 250.910 16.571 13.646  1.7509 15.125  3.7051  13.221  1.9867 254.450 35.338 245.974 19.225 8.475983       40.22938 
1 1 1 -11 28 22 o 232.139 17.881 11.769  1.7443 13.389  4.1698  11.425  1.9204 231.516 44.141 227.793 20.113 3.722458       48.50731 
1 1 1 -11 28 23 o 181.223 18.452 7.2295  1.3964 8.9540  2.5251  6.4699  1.6759 195.374 31.598 169.103 24.083 26.27196       39.72921 
1 1 1 -11 28 24 o 60.968  25.014 0.3589  1.0331 -0.2022 3.8250  0.4031  1.0730 98.932  44.303 62.518  25.553 36.41383       51.14435 
1 1 1 -11 29 1  o 378.240 21.750 30.827  3.4692 35.726  4.9142  25.960  4.8983 404.701 28.862 342.563 34.223 62.13864       44.76830 
1 1 1 -11 29 2  o 288.093 21.513 17.914  2.6058 18.281  3.5988  17.510  3.7779 288.552 29.884 281.522 32.271 7.029785       43.98257 
1 1 1 -11 29 3  o 128.421 30.659 3.7289  1.6443 4.0532  2.2600  3.3642  2.3968 133.656 38.083 124.149 40.054 9.507263       55.26844 
1 1 1 -11 29 4  o 209.228 23.760 9.5405  2.0680 12.016  2.8979  6.9721  2.9520 233.326 30.024 173.918 40.786 59.40836       50.64528 
1 1 1 -11 29 5  o 158.203 26.691 5.5518  1.7246 5.7707  2.2962  5.2685  2.6121 159.275 34.998 151.400 40.103 7.875397       53.22686 
1 1 1 -11 29 6  o 174.293 31.039 6.8019  2.2071 0.0000  0.0000  6.8019  2.2071 ?       ?      174.293 31.039 0.000000       31.03911 
1 1 1 -11 29 7  o 234.067 27.865 12.034  2.7078 0.0000  0.0000  12.034  2.7078 ?       ?      234.067 27.865 0.000000       27.86479 
1 1 1 -11 29 8  o 236.719 23.075 12.174  2.2838 10.576  2.6360  16.982  4.5734 218.789 29.177 273.602 40.711 -54.81306      50.08641 
1 1 1 -11 29 9  o 236.702 32.277 12.466  3.1512 12.466  3.1512  0.0000  0.0000 236.702 32.277 ?       ?      0.000000       32.27749 
1 1 1 -11 29 10 o 433.257 19.907 40.279  3.6525 41.988  4.6272  37.454  5.9493 440.047 24.933 411.121 34.489 28.92606       42.55767 
1 1 1 -11 29 11 o 328.683 16.894 23.163  2.3436 27.228  3.6632  20.347  3.0493 354.060 24.583 306.120 23.706 47.93924       34.15141 
1 1 1 -11 29 12 o 274.694 19.987 16.293  2.3091 15.267  3.1258  17.524  3.4260 263.241 28.494 281.994 29.107 -18.75317      40.73209 
1 1 1 -11 29 13 o 196.847 23.673 8.4937  1.9338 9.4920  2.8674  7.6607  2.6192 204.739 34.283 183.231 35.030 21.50771       49.01456 
1 1 1 -11 29 14 o 251.262 16.406 13.572  1.7361 11.861  3.0772  14.372  2.1028 229.734 32.539 257.827 19.401 -28.09338      37.88317 
1 1 1 -11 29 15 o 92.103  28.509 1.8657  1.2259 1.5152  2.4990  1.9768  1.4068 100.889 39.757 95.404  30.676 5.484940       50.21559 
1 1 1 -11 29 16 o 176.572 24.116 6.9082  1.7562 6.8105  2.8717  6.9666  2.2196 169.371 40.570 174.910 31.105 -5.538940      51.12209 
1 1 1 -11 29 17 o 130.934 23.591 3.8474  1.2600 2.6205  2.7088  4.1862  1.4234 114.283 42.261 136.100 25.636 -21.81644      49.42836 
1 1 1 -11 29 18 o 173.131 21.919 6.6261  1.5711 0.0000  0.0000  6.6261  1.5711 ?       ?      173.131 21.919 0.000000       21.91884 
1 1 1 -11 29 19 o 58.759  24.097 0.2983  0.9582 4.2075  2.5261  -0.3587 1.0356 132.824 40.894 51.960  23.176 80.86427       47.00432 
1 1 1 -11 29 20 o 202.891 17.701 8.9686  1.5057 7.4369  3.2174  9.3981  1.7038 173.077 43.845 207.060 19.666 -33.98357      48.05400 
1 1 1 -11 29 21 o 70.401  26.148 0.8973  1.0392 0.6035  2.7132  0.9478  1.1250 92.419  39.391 72.680  27.164 19.73981       47.84907 
1 1 1 -11 29 22 o 203.755 18.692 9.1265  1.5949 5.6247  3.8026  9.8740  1.7569 146.932 50.527 211.514 19.846 -64.58183      54.28477 
1 1 1 -11 29 23 o 136.804 23.380 4.2599  1.3059 3.5803  2.5369  4.5048  1.5231 121.583 41.279 139.379 26.778 -17.79594      49.20403 
1 1 1 -11 30 1  f 304.500 21.879 20.039  2.8026 19.007  3.9562  21.079  3.9708 292.992 32.428 309.382 30.712 -16.39029      44.66348 
1 1 1 -11 30 2  o 392.776 27.655 33.631  4.5706 33.631  4.5706  0.0000  0.0000 392.776 27.655 ?       ?      0.000000       27.65458 
1 1 1 -11 30 3  o 398.947 20.085 34.224  3.3824 31.835  4.6340  36.949  4.9485 381.616 28.888 411.403 28.580 -29.78696      40.63636 
1 1 1 -11 30 4  o 243.745 22.251 12.883  2.2716 11.829  3.1195  14.072  3.3142 230.271 32.927 251.914 31.773 -21.64268      45.75676 
1 1 1 -11 30 5  o 496.440 18.917 52.795  3.9771 48.453  5.3340  58.231  5.9682 472.152 26.787 517.467 27.331 -45.31485      38.26920 
1 1 1 -11 30 6  o 497.639 16.557 52.912  3.4892 49.919  5.2342  55.306  4.6810 479.620 25.865 507.105 21.797 -27.48444      33.82512 
1 1 1 -11 30 7  o 227.336 28.943 11.415  2.7233 0.0000  0.0000  11.415  2.7233 ?       ?      227.336 28.943 0.000000       28.94329 
1 1 1 -11 30 8  o 275.884 25.000 16.587  2.8891 0.0000  0.0000  16.587  2.8891 ?       ?      275.884 25.000 0.000000       24.99967 
1 1 1 -11 30 9  o 424.569 18.601 38.634  3.3445 37.985  4.5797  39.376  4.8959 417.842 26.010 424.854 27.357 -7.011993      37.74786 
1 1 1 -11 30 10 f 186.201 29.635 7.7432  2.2586 7.2548  2.7648  8.7230  3.9157 177.480 37.935 191.455 48.298 -13.97513      61.41523 
1 1 1 -11 30 11 o 90.640  35.749 1.1299  2.0223 1.3900  2.4204  0.5285  3.6803 99.103  39.103 107.841 45.919 -8.737556      60.31233 
1 1 1 -11 30 12 f 154.315 33.388 5.4496  2.1185 4.8543  2.6147  6.5873  3.6147 144.497 40.890 166.423 48.389 -21.92622      63.35205 
1 1 1 -11 30 13 o 307.794 19.442 20.460  2.5212 19.284  3.5279  21.687  3.6044 295.465 28.551 313.984 27.381 -18.51849      39.55849 
1 1 1 -11 30 14 o 87.921  31.621 1.4868  1.5013 1.0858  2.3840  1.7503  1.9326 94.789  38.331 96.863  35.721 -2.074303      52.39457 
1 1 1 -11 30 15 f 111.022 27.568 2.8138  1.2902 3.0098  2.5518  2.7465  1.4954 118.342 41.352 109.632 30.888 8.709419       51.61414 
1 1 1 -11 30 16 o 265.708 19.277 15.338  2.1544 11.181  3.2328  18.658  2.8895 219.648 36.002 291.428 23.616 -71.77948      43.05643 
1 1 1 -11 30 17 o 423.556 14.456 38.473  2.5931 42.001  4.7090  36.937  3.1065 436.043 25.613 413.702 17.731 22.34131       31.15161 
1 1 1 -11 30 18 o 138.203 21.774 4.2585  1.2322 4.9566  2.7353  4.0807  1.3802 142.988 42.243 134.150 25.220 8.837524       49.19852 
1 1 1 -11 30 19 o 281.161 15.319 17.056  1.8172 16.356  3.7554  17.270  2.0765 265.864 34.144 282.144 17.464 -16.27948      38.35108 
1 1 1 -11 30 20 o 125.491 23.627 3.5767  1.2096 2.5758  2.7439  3.8181  1.3475 112.055 42.311 129.106 25.551 -17.05077      49.42752 
1 1 1 -11 30 21 o 188.144 18.494 7.7815  1.4545 8.9392  3.1627  7.4710  1.6380 189.888 40.561 183.138 21.530 6.750046       45.92138 
1 1 1 -11 30 22 o 53.426  22.991 -0.0009 0.9405 -0.3492 2.2177  0.0755  1.0385 76.503  34.034 57.020  24.338 19.48248       41.84061 
1 1 1 -11 30 23 o 107.429 27.032 2.7080  1.2288 7.5272  2.4820  1.1430  1.4144 176.697 34.406 79.579  30.298 97.11736       45.84497 
1 1 1 -11 31 1  o 212.235 25.960 9.9013  2.2846 13.270  3.3886  7.0940  3.0934 243.389 33.787 174.271 42.334 69.11781       54.16368 
1 1 1 -11 31 2  o 196.648 27.424 8.5527  2.2217 6.9040  2.7330  11.765  3.8148 173.065 38.303 226.018 41.380 -52.95328      56.38596 
1 1 1 -11 31 3  o 301.029 20.808 19.567  2.6364 19.066  3.6074  20.142  3.8625 294.342 29.331 302.108 30.613 -7.765503      42.39640 
1 1 1 -11 31 4  o 245.783 21.466 13.092  2.2119 12.736  2.9812  13.527  3.2990 239.811 30.012 246.389 32.403 -6.577515      44.16640 
1 1 1 -11 31 5  o 418.420 17.062 37.452  3.0234 36.871  4.5110  37.925  4.0738 411.647 26.010 418.705 23.064 -7.058075      34.76294 
1 1 1 -11 31 6  o 385.254 17.380 31.766  2.8356 20.008  4.0400  43.182  3.9808 300.337 32.270 448.088 20.978 -147.7511      38.48944 
1 1 1 -11 31 7  o 122.452 28.949 3.3970  1.4776 3.0851  1.8830  3.8969  2.3836 117.216 35.147 131.023 39.603 -13.80741      52.95019 
1 1 1 -11 31 8  o 252.770 18.887 13.781  2.0072 12.302  2.8336  15.270  2.8436 235.792 28.987 264.157 25.746 -28.36497      38.77023 
1 1 1 -11 31 9  o 147.934 39.589 5.0819  2.5291 0.0000  0.0000  5.0819  2.5291 ?       ?      147.934 39.589 0.000000       39.58904 
1 1 1 -11 31 10 o 258.671 23.988 14.606  2.5979 0.0000  0.0000  14.606  2.5979 ?       ?      258.671 23.988 0.000000       23.98801 
1 1 1 -11 31 11 o 180.830 21.894 7.1585  1.6425 6.7178  2.6154  7.4454  2.1106 170.279 37.301 182.594 28.204 -12.31548      46.76347 
1 1 1 -11 31 12 o 326.637 20.975 23.121  2.8861 18.685  3.8186  29.031  4.4076 289.192 31.700 362.574 28.947 -73.38220      42.92760 
1 1 1 -11 31 13 o 244.828 22.994 13.118  2.3561 14.800  3.0460  10.614  3.7176 258.093 28.335 211.658 42.943 46.43544       51.44854 
1 1 1 -11 31 14 o 165.810 27.805 6.2003  1.8833 7.1845  2.7324  5.3095  2.5994 174.792 37.997 149.477 40.193 25.31516       55.31032 
1 1 1 -11 31 15 o 170.217 41.231 6.9679  2.9407 6.9679  2.9407  0.0000  0.0000 170.217 41.231 ?       ?      0.000000       41.23079 
1 1 1 -11 31 16 o 131.791 29.160 4.0064  1.5844 4.2614  2.5519  3.8464  2.0211 133.835 41.084 127.749 35.880 6.086021       54.54633 
1 1 1 -11 31 17 o 176.625 24.733 6.9822  1.7993 7.5332  2.8514  6.6176  2.3194 177.213 39.048 168.211 33.733 9.001740       51.60100 
1 1 1 -11 31 18 o 79.657  27.068 1.3319  1.0908 2.4940  2.6472  1.0942  1.1972 111.174 41.645 76.589  28.133 34.58524       50.25714 
1 1 1 -11 31 19 f 82.195  26.636 1.4807  1.0591 -1.2713 2.7322  1.9673  1.1489 79.248  36.261 92.810  27.366 -13.56224      45.42840 
1 1 1 -11 31 20 o 390.493 15.090 32.907  2.4955 29.579  4.8281  34.121  2.9151 357.350 32.251 396.421 17.364 -39.07089      36.62841 
1 1 1 -11 31 21 o 148.164 23.229 4.9760  1.4096 11.232  3.3563  3.6362  1.5532 214.203 38.411 123.781 29.954 90.42129       48.70969 
1 1 1 -11 31 22 o 156.263 20.723 5.4627  1.3375 2.0862  2.5589  6.7320  1.5689 103.565 40.402 173.222 21.875 -69.65652      45.94382 
1 1 1 -11 32 1  o 445.287 20.628 42.699  3.8899 48.244  5.4869  37.096  5.5155 469.426 27.723 409.121 32.091 60.30569       42.40797 
1 1 1 -11 32 2  o 274.619 22.691 16.394  2.6153 17.941  3.3628  14.027  4.1605 285.422 28.189 246.594 41.300 38.82761       50.00328 
1 1 1 -11 32 3  f 231.645 21.767 11.666  2.1103 9.7194  2.8339  14.088  3.1619 207.563 33.370 251.928 30.240 -44.36545      45.03407 
1 1 1 -11 32 4  o 85.866  30.856 1.3960  1.4293 1.9869  1.9254  0.6708  2.1332 100.554 35.847 87.193  35.879 13.36082       50.71782 
1 1 1 -11 32 5  o 444.125 18.911 42.343  3.5568 34.111  4.6746  53.659  5.4811 394.460 28.169 496.246 26.174 -101.7862      38.45179 
1 1 1 -11 32 6  o 497.719 16.666 53.023  3.5128 41.849  5.2414  62.135  4.7330 436.858 28.487 537.182 20.805 -100.3244      35.27549 
1 1 1 -11 32 7  o 194.502 21.270 8.2459  1.7234 7.5982  2.3919  8.9453  2.4854 183.391 31.960 199.916 30.306 -16.52525      44.04423 
1 1 1 -11 32 8  f 118.361 32.252 3.1946  1.6607 5.1265  2.4193  1.4733  2.2836 148.466 38.244 98.041  38.190 50.42484       54.04697 
1 1 1 -11 32 9  o 259.320 19.350 14.541  2.1097 19.057  3.3420  11.550  2.7203 294.314 27.119 227.962 28.822 66.35231       39.57398 
1 1 1 -11 32 10 o 391.579 16.551 32.862  2.7447 35.217  4.3631  31.319  3.5308 401.184 25.818 379.927 22.039 21.25629       33.94553 
1 1 1 -11 32 11 o 199.330 26.462 8.8243  2.1786 0.0000  0.0000  8.8243  2.1786 ?       ?      199.330 26.462 0.000000       26.46188 
1 1 1 -11 32 12 o 159.062 29.812 5.7559  1.9344 0.0000  0.0000  5.7559  1.9344 ?       ?      159.062 29.812 0.000000       29.81208 
1 1 1 -11 32 13 o 87.343  32.171 1.4206  1.5669 0.0000  0.0000  1.4206  1.5669 ?       ?      87.343  32.171 0.000000       32.17059 
1 1 1 -11 32 14 o 181.063 24.587 7.3040  1.8366 0.0000  0.0000  7.3040  1.8366 ?       ?      181.063 24.587 0.000000       24.58743 
1 1 1 -11 32 15 o 321.017 19.168 22.397  2.5940 20.590  3.6525  24.237  3.6846 302.878 28.824 330.158 26.578 -27.28003      39.20699 
1 1 1 -11 32 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -11 32 17 o 157.329 43.769 6.1358  3.0227 6.1358  3.0227  0.0000  0.0000 157.329 43.769 ?       ?      0.000000       43.76945 
1 1 1 -11 32 18 f 77.738  29.630 1.0348  1.3536 2.1484  2.5134  0.5799  1.6065 105.583 40.344 75.695  31.140 29.88821       50.96416 
1 1 1 -11 32 19 f 205.875 21.315 9.4029  1.8315 9.2204  3.3198  9.4828  2.1959 192.217 41.960 204.598 25.925 -12.38081      49.32265 
1 1 1 -11 32 20 o 61.954  26.423 0.1200  1.2223 0.6173  2.7717  -0.0001 1.3619 92.319  39.593 63.611  27.519 28.70786       48.21713 
1 1 1 -11 32 21 o 321.313 17.509 22.566  2.3736 20.057  3.4057  24.935  3.3098 296.224 27.461 333.660 23.575 -37.43552      36.19223 
1 1 1 -11 32 22 o 77.155  28.891 1.1168  1.2739 3.9577  2.3191  -0.1106 1.5244 126.082 39.243 65.684  28.755 60.39740       48.65023 
1 1 1 -11 33 1  o 291.624 23.992 18.595  2.9367 20.011  4.0358  17.001  4.2813 298.839 32.409 272.342 38.169 26.49695       50.07249 
1 1 1 -11 33 2  o 184.798 30.914 7.7131  2.3339 5.9170  3.1694  9.8408  3.4496 157.774 45.148 204.984 41.167 -47.21082      61.09903 
1 1 1 -11 33 3  o 99.277  31.715 2.1521  1.5056 0.5822  2.0027  4.1928  2.2833 83.840  34.658 134.533 38.260 -50.69221      51.62367 
1 1 1 -11 33 4  o 209.937 22.140 9.6280  1.9387 8.2832  2.8339  10.811  2.6580 189.621 36.616 220.232 29.221 -30.61121      46.84633 
1 1 1 -11 33 5  o 221.891 22.745 10.762  2.1071 7.0037  2.6671  17.003  3.4369 173.753 37.357 276.690 29.802 -102.9370      47.78773 
1 1 1 -11 33 6  o 147.147 27.519 4.8756  1.6518 4.7443  2.0571  5.1139  2.7714 143.327 34.341 147.572 42.215 -4.245422      54.41898 
1 1 1 -11 33 7  o 299.046 17.615 19.262  2.2210 16.923  3.1222  21.658  3.1600 277.066 26.950 315.002 23.865 -37.93585      35.99805 
1 1 1 -11 33 8  o 210.904 21.332 9.7071  1.8791 9.0684  2.8324  10.209  2.5114 198.996 34.881 213.982 28.417 -14.98607      44.99129 
1 1 1 -11 33 9  o 209.674 21.544 9.6092  1.8858 10.590  3.0062  8.9728  2.4215 215.519 34.069 199.850 29.498 15.66890       45.06522 
1 1 1 -11 33 10 o 215.069 20.094 10.076  1.8089 11.005  2.9217  9.4979  2.3035 220.290 32.276 206.467 26.991 13.82338       42.07379 
1 1 1 -11 33 11 o 128.834 27.652 3.7863  1.4636 0.0000  2.4740  5.8248  1.8153 85.531  37.047 160.567 27.696 -75.03560      46.25545 
1 1 1 -11 33 12 o 162.620 22.075 5.8511  1.4809 3.1937  2.4584  7.3647  1.8554 119.586 40.635 181.853 24.734 -62.26726      47.57077 
1 1 1 -11 33 13 o 128.415 26.708 3.7647  1.4051 5.5473  2.5523  2.9895  1.6831 152.042 39.339 113.639 33.014 38.40354       51.35633 
1 1 1 -11 33 14 o 190.194 23.105 8.0242  1.8228 0.0000  0.0000  8.0242  1.8228 ?       ?      190.194 23.105 0.000000       23.10520 
1 1 1 -11 33 15 o 138.293 27.480 4.3830  1.5527 0.0000  0.0000  4.3830  1.5527 ?       ?      138.293 27.480 0.000000       27.47971 
1 1 1 -11 33 16 o 239.697 28.440 12.999  2.8306 0.0000  0.0000  12.999  2.8306 ?       ?      239.697 28.440 0.000000       28.43980 
1 1 1 -11 33 17 o 224.855 20.779 11.138  1.9563 0.0000  0.0000  11.138  1.9563 ?       ?      224.855 20.779 0.000000       20.77866 
1 1 1 -11 33 18 o 162.590 33.000 6.2774  2.1946 0.0000  0.0000  6.2774  2.1946 ?       ?      162.590 33.000 0.000000       33.00007 
1 1 1 -11 33 19 o 156.622 42.215 6.2544  2.8636 0.0000  0.0000  6.2544  2.8636 ?       ?      156.622 42.215 0.000000       42.21550 
1 1 1 -11 33 20 o 193.329 22.447 8.3926  1.8036 0.0000  0.0000  8.3926  1.8036 ?       ?      193.329 22.447 0.000000       22.44722 
1 1 1 -11 33 21 o 161.899 21.756 5.8978  1.4539 2.8580  3.8111  6.4155  1.5729 119.152 48.365 168.583 22.600 -49.43096      53.38467 
1 1 1 -11 34 1  o 601.001 28.998 79.827  7.3805 79.827  7.3805  0.0000  0.0000 601.001 28.998 ?       ?      0.000000       28.99793 
1 1 1 -11 34 2  o 337.592 22.303 24.842  3.1706 18.744  4.2261  32.694  4.7954 286.678 35.574 383.384 29.769 -96.70581      46.38690 
1 1 1 -11 34 3  o 127.132 29.527 3.7044  1.5593 4.1760  2.2021  3.2302  2.2081 133.699 37.417 119.593 38.430 14.10512       53.63694 
1 1 1 -11 34 4  o 326.329 17.684 22.963  2.4348 22.847  3.5714  23.063  3.3281 321.980 26.425 324.433 24.402 -2.453186      35.96827 
1 1 1 -11 34 5  o 209.571 21.197 9.5974  1.8554 8.4076  2.5268  10.989  2.7331 192.167 32.188 221.204 29.946 -29.03726      43.96357 
1 1 1 -11 34 6  o 196.768 24.249 8.5552  1.9779 4.9901  2.3727  16.677  3.5812 145.627 38.052 272.319 31.643 -126.6923      49.48945 
1 1 1 -11 34 7  o 252.869 22.925 14.008  2.4282 15.409  3.3309  12.420  3.5474 262.025 30.593 231.689 37.431 30.33582       48.34278 
1 1 1 -11 34 8  o 212.928 23.185 9.9791  2.0569 9.6279  2.9983  10.291  2.8269 203.884 36.044 212.600 32.425 -8.715836      48.48222 
1 1 1 -11 34 9  o 356.380 17.180 27.331  2.5928 31.172  4.0113  24.575  3.3981 376.324 25.317 334.547 24.147 41.77737       34.98638 
1 1 1 -11 34 10 o 496.482 15.821 52.947  3.3264 53.779  5.2328  52.383  4.3091 494.519 25.068 491.343 20.709 3.176208       32.51589 
1 1 1 -11 34 11 o 211.690 19.488 9.7824  1.7274 7.2327  2.7233  11.499  2.2345 174.549 37.925 228.193 23.457 -53.64384      44.59317 
1 1 1 -11 34 12 o 311.906 16.716 21.021  2.2000 23.360  3.5863  19.610  2.7858 324.157 26.353 298.957 22.162 25.20059       34.43248 
1 1 1 -11 34 13 o 123.950 25.091 3.4969  1.2719 1.7607  2.2960  4.2656  1.5277 99.726  38.447 136.456 27.388 -36.72950      47.20437 
1 1 1 -11 34 14 o 146.072 23.857 4.7992  1.4248 8.9080  2.5733  2.9827  1.7110 196.338 32.055 113.125 33.407 83.21299       46.29889 
1 1 1 -11 34 15 o 89.487  28.272 1.7877  1.1990 1.3788  2.5119  1.9084  1.3645 97.591  39.387 92.788  30.243 4.803185       49.65844 
1 1 1 -11 34 16 o 146.349 37.099 5.1916  2.3024 0.0000  0.0000  5.1916  2.3024 ?       ?      146.349 37.099 0.000000       37.09909 
1 1 1 -11 34 17 o 181.137 18.611 7.2186  1.4073 6.4253  2.9702  7.4482  1.5981 159.205 43.030 183.116 20.987 -23.91141      47.87469 
1 1 1 -11 34 18 o 70.224  25.074 0.9806  0.9424 -3.2088 2.7518  1.5372  1.0030 68.485  32.859 82.582  25.826 -14.09663      41.79308 
1 1 1 -11 34 19 o 144.566 21.188 4.7022  1.2587 1.2563  2.8398  5.5446  1.4041 98.011  40.955 156.982 21.701 -58.97111      46.34893 
1 1 1 -11 34 20 o 342.263 20.756 25.960  2.9942 30.949  4.7509  22.672  3.8566 364.067 31.113 312.841 29.457 51.22574       42.84506 
1 1 1 -11 35 1  o 278.438 33.944 17.706  3.9197 17.706  3.9197  0.0000  0.0000 278.438 33.944 ?       ?      0.000000       33.94407 
1 1 1 -11 35 2  f 132.574 38.852 4.1452  2.3221 5.8975  2.6160  -2.3650 5.0423 157.169 39.383 105.375 48.597 51.79369       62.55123 
1 1 1 -11 35 3  o 288.122 18.393 17.982  2.2326 18.546  3.2692  17.490  3.0563 288.931 27.032 281.029 25.974 7.902771       37.48847 
1 1 1 -11 35 4  o 60.226  26.357 -0.2054 1.2799 -0.0001 1.6622  -0.5044 2.0060 70.889  30.535 72.975  32.421 -2.086006      44.53685 
1 1 1 -11 35 5  o 190.947 21.309 8.0088  1.6937 8.1268  2.2671  7.8598  2.5481 189.505 29.186 184.348 33.887 5.157455       44.72300 
1 1 1 -11 35 6  o 121.816 28.414 3.4096  1.4390 2.6066  1.8928  4.5091  2.2149 108.274 35.637 138.116 37.086 -29.84252      51.43255 
1 1 1 -11 35 7  o 66.992  29.949 -0.5709 1.7399 -2.3684 2.4379  1.2953  2.4840 68.523  32.311 97.377  39.214 -28.85447      50.81054 
1 1 1 -11 35 8  o 262.369 22.212 15.103  2.4448 17.360  3.5500  13.067  3.3719 277.179 30.762 238.190 34.426 38.98860       46.16769 
1 1 1 -11 35 9  f 138.350 28.534 4.3941  1.6163 6.1384  2.6062  3.3039  2.0603 160.051 38.844 119.294 36.966 40.75762       53.62184 
1 1 1 -11 35 10 o 337.166 16.639 24.497  2.3758 24.399  3.6626  24.568  3.1217 331.294 26.322 334.762 22.145 -3.467377      34.39864 
1 1 1 -11 35 11 f 76.713  28.586 1.0556  1.2441 4.2157  2.0605  -0.7573 1.5606 133.231 35.767 61.236  27.781 71.99583       45.28878 
1 1 1 -11 35 12 o 164.091 24.187 6.0367  1.6304 3.7834  2.7891  7.2063  2.0095 127.407 43.283 178.221 27.510 -50.81322      51.28546 
1 1 1 -11 35 13 o 114.548 27.134 3.0298  1.2960 0.8328  2.4447  3.8887  1.5285 91.476  38.092 129.570 28.620 -38.09402      47.64568 
1 1 1 -11 35 14 o 180.083 20.251 7.1540  1.5177 9.0392  2.6805  6.2646  1.8412 196.618 33.386 165.747 27.172 30.87135       43.04615 
1 1 1 -11 35 15 o 121.460 26.100 3.4031  1.3025 3.7154  2.3979  3.2724  1.5514 124.398 40.055 117.819 30.761 6.578987       50.50386 
1 1 1 -11 35 16 o 66.403  30.277 -0.8927 1.8835 0.0000  0.0000  -0.8927 1.8835 ?       ?      66.403  30.277 0.000000       30.27670 
1 1 1 -11 35 17 o 49.263  22.741 -0.7753 1.1080 1.4004  2.7776  -1.1871 1.2084 98.985  40.859 48.468  22.822 50.51728       46.80073 
1 1 1 -11 35 18 o 74.536  26.065 1.1568  1.0140 1.5772  3.1904  1.1095  1.0694 104.078 43.443 74.294  26.691 29.78434       50.98736 
1 1 1 -11 35 19 o 172.366 19.950 6.6211  1.4293 8.7827  3.4047  6.1586  1.5748 183.146 44.366 164.740 23.217 18.40605       50.07375 
1 1 1 -11 36 1  o 90.137  37.994 0.5782  2.4777 0.0000  0.0000  0.5782  2.4777 ?       ?      90.137  37.994 0.000000       37.99426 
1 1 1 -11 36 2  o 258.154 22.373 14.643  2.4217 17.496  3.5838  12.246  3.2853 277.965 30.971 230.083 34.804 47.88222       46.58899 
1 1 1 -11 36 3  o 181.654 29.906 7.5308  2.2205 8.5086  2.4849  3.6545  4.9475 192.582 31.562 138.461 55.489 54.12077       63.83696 
1 1 1 -11 36 4  o 56.987  26.284 -1.0367 1.4758 -1.4471 1.5698  2.0822  4.3281 56.116  26.292 122.523 50.824 -66.40629      57.22213 
1 1 1 -11 36 5  o 468.757 16.636 47.332  3.3025 33.822  4.7961  59.514  4.5543 388.403 29.375 523.295 20.551 -134.8929      35.85037 
1 1 1 -11 36 6  o 494.406 16.597 52.659  3.4750 48.440  5.2884  55.865  4.6099 467.105 26.847 506.306 21.500 -39.20044      34.39496 
1 1 1 -11 36 7  o 181.387 25.026 7.3640  1.8712 7.8243  2.9382  7.0499  2.4271 180.508 39.531 173.573 34.235 6.935150       52.29419 
1 1 1 -11 36 8  o 188.260 24.295 7.9053  1.8918 8.3849  2.6710  7.4226  2.6797 189.407 34.573 176.814 36.977 12.59280       50.62206 
1 1 1 -11 36 9  o 293.695 20.477 18.857  2.5309 21.138  3.4402  16.166  3.7365 307.769 26.658 264.574 34.145 43.19479       43.31919 
1 1 1 -11 36 10 o 108.457 30.099 2.7284  1.4312 3.2316  2.5238  2.4899  1.7377 119.346 41.157 104.973 34.125 14.37366       53.46402 
1 1 1 -11 36 11 o 174.415 21.660 6.7437  1.5654 6.0588  2.4362  7.2254  2.0430 158.972 36.897 178.095 28.013 -19.12338      46.32627 
1 1 1 -11 36 12 o 335.767 16.523 24.347  2.3495 24.843  3.8738  24.058  2.9551 332.352 27.778 331.092 21.187 1.259766       34.93538 
1 1 1 -11 36 13 o 75.263  27.843 1.0492  1.1760 1.5646  2.0303  0.7890  1.4427 93.726  36.148 75.508  30.063 18.21791       47.01564 
1 1 1 -11 36 14 o 159.191 26.659 5.8048  1.7337 4.5888  2.6645  6.6977  2.2831 136.007 42.020 168.039 33.260 -32.03157      53.58993 
1 1 1 -11 36 15 o 79.257  28.537 1.2632  1.2230 7.4092  2.5329  -0.6054 1.3966 175.176 35.361 58.260  26.370 116.9166       44.11073 
1 1 1 -11 36 16 o 158.306 37.674 6.2196  2.4892 0.0000  0.0000  6.2196  2.4892 ?       ?      158.306 37.674 0.000000       37.67409 
1 1 1 -11 36 17 o 128.909 24.253 3.8273  1.2754 2.8943  3.3012  3.9911  1.3828 116.339 45.743 131.053 25.834 -14.71375      52.53349 
1 1 1 -11 36 18 o 70.929  26.916 0.8939  1.1139 4.7644  3.3365  0.4083  1.1817 135.132 47.280 64.620  26.660 70.51207       54.27817 
1 1 1 -11 36 19 o 156.996 21.033 5.5422  1.3632 5.0540  3.6058  5.6236  1.4725 138.039 49.073 157.409 22.750 -19.37053      54.08985 
1 1 1 -11 37 1  o 279.001 21.891 17.102  2.5657 19.973  3.7768  14.641  3.4963 296.816 30.479 251.949 33.606 44.86687       45.36917 
1 1 1 -11 37 2  o 126.661 41.272 3.7677  2.5411 0.0000  0.0000  3.7677  2.5411 ?       ?      126.661 41.272 0.000000       41.27182 
1 1 1 -11 37 3  o 175.072 33.375 7.1505  2.3842 0.0000  0.0000  7.1505  2.3842 ?       ?      175.072 33.375 0.000000       33.37547 
1 1 1 -11 37 4  o 332.027 21.503 24.149  3.0073 26.053  3.5668  19.466  5.5927 343.116 24.712 279.410 49.054 63.70596       54.92760 
1 1 1 -11 37 5  o 89.718  33.041 1.5477  1.6528 0.8599  1.8015  5.2054  4.1542 82.609  33.350 146.934 52.626 -64.32533      62.30306 
1 1 1 -11 37 6  o 162.599 34.168 6.2243  2.2780 6.3270  2.7517  6.0007  4.0608 161.259 40.383 154.573 52.227 6.685287       66.01884 
1 1 1 -11 37 7  o 199.859 23.064 8.8680  1.9163 4.8442  3.0075  11.618  2.4863 140.881 44.806 227.625 26.275 -86.74321      51.94203 
1 1 1 -11 37 8  o 114.453 32.524 3.0660  1.6507 2.3232  2.6165  3.5571  2.1275 108.876 41.267 122.612 37.492 -13.73586      55.75541 
1 1 1 -11 37 9  o 156.265 27.345 5.5794  1.7437 4.7059  2.5372  6.3612  2.4003 139.001 40.576 163.389 35.689 -24.38713      54.03830 
1 1 1 -11 37 10 o 183.636 25.577 7.6051  1.9351 11.136  2.8315  4.5105  2.6506 219.813 31.302 135.931 41.896 83.88248       52.29793 
1 1 1 -11 37 11 o 155.603 24.724 5.4792  1.5747 5.3268  2.7118  5.5567  1.9343 146.583 41.699 154.250 30.690 -7.667725      51.77548 
1 1 1 -11 37 12 o 158.869 23.116 5.6755  1.5096 3.0889  2.6054  6.9828  1.8523 116.683 41.689 175.405 25.697 -58.72148      48.97239 
1 1 1 -11 37 13 o 172.662 22.378 6.6797  1.5978 10.965  2.9039  4.8189  1.9135 215.980 32.778 142.045 32.513 73.93501       46.16768 
1 1 1 -11 37 14 o 109.587 28.333 2.8302  1.3246 5.3279  2.5505  1.9077  1.5500 145.482 40.105 93.135  32.245 52.34719       51.46055 
1 1 1 -11 37 15 o 78.598  28.165 1.2629  1.1901 4.7649  2.5461  0.2840  1.3462 136.960 40.825 66.468  28.011 70.49139       49.51093 
1 1 1 -11 37 16 o 140.178 28.073 4.6226  1.6084 0.0000  0.0000  4.6226  1.6084 ?       ?      140.178 28.073 0.000000       28.07306 
1 1 1 -11 37 17 o 71.471  27.270 0.8974  1.1474 3.8199  3.0726  0.4239  1.2368 124.202 45.155 65.909  27.240 58.29340       52.73516 
1 1 1 -11 37 18 o 78.318  26.502 1.3380  1.0456 0.1696  2.9001  1.5126  1.1210 89.375  39.378 82.420  27.439 6.954842       47.99570 
1 1 1 -11 38 1  o 121.976 34.163 3.5341  1.8350 -1.0381 2.6779  7.5810  2.5194 79.904  36.304 179.062 34.475 -99.15871      50.06480 
1 1 1 -11 38 2  o 114.963 35.785 3.0953  1.9284 1.1888  3.0488  4.3667  2.4897 101.844 42.485 134.114 40.461 -32.27007      58.66920 
1 1 1 -11 38 3  o 107.143 38.826 2.4290  2.2690 0.0000  0.0000  2.4290  2.2690 ?       ?      107.143 38.826 0.000000       38.82613 
1 1 1 -11 38 4  f 234.634 29.495 12.545  2.8660 0.0000  0.0000  12.545  2.8660 ?       ?      234.634 29.495 0.000000       29.49487 
1 1 1 -11 38 5  o 191.345 33.280 8.5595  2.5989 0.0000  0.0000  8.5595  2.5989 ?       ?      191.345 33.280 0.000000       33.28010 
1 1 1 -11 38 6  o 188.221 33.655 8.3111  2.5841 9.4569  3.1209  5.8124  4.6086 198.239 38.563 152.033 55.297 46.20555       67.41539 
1 1 1 -11 38 7  f 311.765 23.600 21.546  3.0927 22.065  3.9795  20.756  4.9146 310.869 30.626 293.730 40.594 17.13824       50.85095 
1 1 1 -11 38 8  o 93.328  36.322 1.5003  2.0644 1.4174  2.4978  1.6791  3.6668 97.414  39.290 111.655 46.587 -14.24097      60.94283 
1 1 1 -11 38 9  o 68.859  28.662 0.3747  1.3832 0.6201  2.2386  0.2231  1.7592 85.979  36.171 74.249  31.684 11.73018       48.08597 
1 1 1 -11 38 10 o 109.755 28.382 2.8196  1.3290 4.2514  2.1662  1.9554  1.6829 132.082 37.163 95.355  33.565 36.72700       50.07687 
1 1 1 -11 38 11 o 148.975 27.248 5.1295  1.6557 6.6726  2.4706  3.8713  2.2308 165.747 36.210 125.868 38.373 39.87872       52.75995 
1 1 1 -11 38 12 o 121.062 30.241 3.4850  1.5459 8.1327  2.5633  0.8283  1.9380 184.260 34.106 83.099  34.196 101.1610       48.29661 
1 1 1 -11 38 13 o 125.198 28.140 3.6938  1.4557 2.2535  2.6247  4.3335  1.7494 105.775 41.015 134.473 31.305 -28.69821      51.59644 
1 1 1 -11 38 14 o 98.739  27.882 2.2948  1.2171 -3.0571 2.5475  3.8777  1.3854 65.422  31.449 128.914 26.268 -63.49281      40.97607 
1 1 1 -11 38 15 o 105.043 28.222 2.6190  1.2823 1.4354  2.7340  2.9527  1.4518 97.935  40.490 110.962 30.123 -13.02729      50.46627 
1 1 1 -11 38 16 o 200.941 23.131 9.1350  1.9325 0.0000  0.0000  9.1350  1.9325 ?       ?      200.941 23.131 0.000000       23.13117 
1 1 1 -11 38 17 o 180.435 33.741 7.9066  2.4834 0.0000  0.0000  7.9066  2.4834 ?       ?      180.435 33.741 0.000000       33.74095 
1 1 1 -11 39 1  o 127.796 37.110 3.9751  2.1272 3.1073  2.9314  4.9402  3.0916 118.245 43.916 139.886 45.520 -21.64128      63.25104 
1 1 1 -11 39 2  o 148.371 30.826 5.1824  1.8736 7.3425  2.8342  3.5054  2.4972 172.434 39.641 121.327 40.956 51.10758       56.99800 
1 1 1 -11 39 3  o 127.625 28.258 3.8010  1.4870 3.4461  1.9200  4.3329  2.3505 119.899 35.383 132.886 39.131 -12.98777      52.75623 
1 1 1 -11 39 4  o 181.391 22.828 7.3630  1.7147 7.9646  2.3480  6.6756  2.5101 184.783 31.110 165.972 36.687 18.81067       48.10207 
1 1 1 -11 39 5  o 242.172 28.680 13.404  2.8842 0.0000  0.0000  13.404  2.8842 ?       ?      242.172 28.680 0.000000       28.68018 
1 1 1 -11 39 6  o 260.812 27.651 15.458  3.0075 0.0000  0.0000  15.458  3.0075 ?       ?      260.812 27.651 0.000000       27.65074 
1 1 1 -11 39 7  o 145.773 33.616 5.0965  2.0329 0.0000  0.0000  5.0965  2.0329 ?       ?      145.773 33.616 0.000000       33.61641 
1 1 1 -11 39 8  o 129.188 36.292 4.0700  2.0676 2.2446  2.4395  8.7246  3.8955 105.017 39.837 181.008 49.427 -75.99083      63.48265 
1 1 1 -11 39 9  o 102.000 35.772 2.3229  1.9105 2.0605  2.3583  2.8239  3.2585 101.962 39.051 116.585 45.562 -14.62292      60.00690 
1 1 1 -11 39 10 o 151.427 34.040 5.5512  2.1298 4.8277  2.6527  6.8635  3.5726 137.988 41.794 160.113 48.504 -22.12473      64.02625 
1 1 1 -11 39 11 o 166.453 32.203 6.6193  2.1880 5.2808  2.8700  8.4768  3.3810 142.893 43.515 180.332 44.535 -37.43958      62.26512 
1 1 1 -11 39 12 f 197.410 23.280 8.8028  1.9088 7.3993  2.8198  9.9898  2.5933 171.079 39.689 206.020 30.658 -34.94182      50.15076 
1 1 1 -11 39 13 o 77.694  30.219 1.0268  1.4282 -0.3090 2.4304  1.7314  1.7652 79.557  35.493 91.647  34.070 -12.09001      49.19909 
1 1 1 -11 39 14 o 253.527 17.630 14.124  1.8811 10.746  3.3749  15.647  2.2656 206.065 40.117 265.350 20.316 -59.28525      44.96780 
1 1 1 -11 39 15 o 224.570 17.905 11.114  1.6887 7.6157  3.3523  12.304  1.9548 168.021 45.840 235.347 19.797 -67.32594      49.93208 
1 1 1 -11 40 1  o 218.315 24.602 10.769  2.2350 10.148  3.3557  11.263  2.9961 201.534 40.720 217.779 33.565 -16.24483      52.77015 
1 1 1 -11 40 2  o 95.424  36.059 1.8050  1.9939 1.5945  2.7634  2.0337  2.8799 100.714 41.068 105.980 42.384 -5.266113      59.01622 
1 1 1 -11 40 3  o 212.167 20.887 9.9988  1.8524 11.281  2.5418  8.5462  2.7050 221.765 27.667 188.224 35.230 33.54132       44.79535 
1 1 1 -11 40 4  o 166.713 24.336 6.3135  1.6675 4.9392  2.3751  7.6496  2.3418 140.726 38.663 179.786 31.927 -39.06009      50.14168 
1 1 1 -11 40 5  o 94.475  33.106 1.9547  1.6362 1.6027  2.6498  2.1715  2.0801 99.612  40.365 100.900 37.081 -1.287453      54.81189 
1 1 1 -11 40 6  o 110.571 32.538 2.9215  1.6257 -0.1727 2.6384  4.8150  2.0640 84.205  37.306 140.424 34.868 -56.21957      51.06404 
1 1 1 -11 40 7  o 79.710  32.950 0.7110  1.8101 0.0000  0.0000  0.7110  1.8101 ?       ?      79.710  32.950 0.000000       32.95034 
1 1 1 -11 40 8  o 62.068  28.501 -0.9505 1.7089 0.0000  0.0000  -0.9505 1.7089 ?       ?      62.068  28.501 0.000000       28.50131 
1 1 1 -11 40 9  o 74.662  30.725 0.6297  1.5646 0.0000  0.0000  0.6297  1.5646 ?       ?      74.662  30.725 0.000000       30.72485 
1 1 1 -11 40 10 o 152.041 26.309 5.3601  1.6327 3.0328  2.8087  6.5478  2.0065 114.834 42.920 166.669 29.507 -51.83596      52.08445 
1 1 1 -11 40 11 f 125.491 34.541 3.8828  1.8936 3.3382  2.4176  4.7472  3.0458 116.893 40.283 134.796 45.233 -17.90221      60.57033 
1 1 1 -11 40 12 o 85.880  34.495 1.1682  1.9168 0.1578  2.3397  3.2302  3.3425 81.719  35.703 118.786 46.222 -37.06683      58.40530 
1 1 1 -11 40 13 o 134.843 43.816 4.7717  2.8648 4.7717  2.8648  0.0000  0.0000 134.843 43.816 ?       ?      0.000000       43.81572 
1 1 1 -11 40 14 o 112.975 42.707 2.9435  2.7976 2.9435  2.7976  0.0000  0.0000 112.975 42.707 ?       ?      0.000000       42.70734 
1 1 1 -11 41 1  o 142.449 34.236 4.9536  2.0397 4.5656  2.9418  5.3129  2.8306 133.575 44.450 143.348 43.118 -9.773560      61.92697 
1 1 1 -11 41 2  o 236.546 24.118 12.636  2.3822 9.2336  3.5908  15.310  3.1837 187.275 45.683 256.531 29.865 -69.25528      54.57857 
1 1 1 -11 41 3  f 167.203 27.006 6.4724  1.8471 4.9425  2.2557  9.5858  3.2178 140.748 37.259 195.200 40.263 -54.45250      54.85741 
1 1 1 -11 41 4  o 223.534 22.098 11.189  2.0645 6.8356  3.1988  14.297  2.7027 160.802 45.130 250.524 25.846 -89.72139      52.00702 
1 1 1 -11 41 5  o 251.770 21.458 14.134  2.2661 19.073  3.4525  10.396  3.0036 287.257 28.767 206.834 35.574 80.42273       45.74973 
1 1 1 -11 41 6  o 271.279 19.458 16.260  2.2206 17.091  3.4714  15.684  2.8890 269.953 30.922 261.923 26.405 8.029907       40.66240 
1 1 1 -11 41 7  o 246.517 22.581 13.643  2.3312 14.201  3.2183  13.026  3.3814 245.068 31.756 231.611 35.615 13.45625       47.71667 
1 1 1 -11 41 8  f 232.576 20.563 12.044  2.0045 7.5062  3.1942  14.992  2.5745 168.556 44.203 257.548 23.876 -88.99178      50.23914 
1 1 1 -11 41 9  o 225.340 26.375 11.672  2.4694 0.0000  0.0000  11.672  2.4694 ?       ?      225.340 26.375 0.000000       26.37536 
1 1 1 -11 41 10 o 105.565 33.837 2.6740  1.7126 0.0000  0.0000  2.6740  1.7126 ?       ?      105.565 33.837 0.000000       33.83676 
1 1 1 -11 41 11 o 93.151  32.680 1.9429  1.5946 0.0000  0.0000  1.9429  1.5946 ?       ?      93.151  32.680 0.000000       32.68046 
1 1 1 -11 41 12 o 180.714 27.963 7.6454  2.0709 0.0000  0.0000  7.6454  2.0709 ?       ?      180.714 27.963 0.000000       27.96254 
1 1 1 -11 42 1  o 123.995 34.649 3.7755  1.8899 5.8387  2.7378  1.8977  2.6119 150.472 41.581 101.501 40.439 48.97123       58.00272 
1 1 1 -11 42 2  o 231.470 23.406 12.085  2.2629 9.6598  3.4923  13.840  2.9709 192.651 43.797 243.765 29.370 -51.11397      52.73321 
1 1 1 -11 42 3  o 206.175 23.176 9.6017  1.9885 4.0332  2.7571  15.638  2.8706 126.314 43.033 261.474 26.279 -135.1601      50.42259 
1 1 1 -11 42 4  o 71.962  31.000 0.1741  1.7135 1.3112  2.3976  -1.0131 2.4498 93.180  38.153 74.876  34.287 18.30421       51.29642 
1 1 1 -11 42 5  o 341.366 18.542 25.645  2.6704 27.460  4.0188  24.210  3.5735 345.422 27.706 325.674 26.130 19.74786       38.08369 
1 1 1 -11 42 6  o 316.753 18.397 22.085  2.4572 18.045  3.8725  24.808  3.1791 273.935 34.120 332.521 22.712 -58.58524      40.98816 
1 1 1 -11 42 7  o 139.400 31.935 4.7187  1.8448 3.6136  2.7352  5.6409  2.4986 120.645 42.756 148.495 39.169 -27.85030      57.98485 
1 1 1 -11 42 8  o 167.776 24.513 6.4590  1.6903 4.6026  2.6970  7.6599  2.1691 132.974 42.445 180.081 29.462 -47.10727      51.66739 
1 1 1 -11 42 9  o 237.694 20.038 12.575  1.9983 12.235  3.4297  12.750  2.4587 221.507 37.925 236.273 24.950 -14.76567      45.39584 
1 1 1 -11 42 10 o 120.209 30.847 3.5080  1.5782 2.6773  2.8341  3.8814  1.9000 110.166 42.646 124.925 34.683 -14.75990      54.96930 
1 1 1 -10 0  1  f 705.868 23.056 106.028 6.8754 109.437 9.7264  102.624 9.7200 715.497 32.249 692.495 33.320 -0.000000      0.000000 
1 1 1 -10 0  2  o 696.804 22.891 103.324 6.7385 108.493 9.5410  98.179  9.5185 712.484 31.765 677.217 33.374 0.000000       0.000000 
1 1 1 -10 0  3  o 1080.04 24.594 247.888 11.236 253.194 15.971  242.689 15.810 1089.63 34.690 1066.63 35.087 -0.000000      0.000000 
1 1 1 -10 0  4  o 276.538 23.266 16.563  2.6803 17.706  3.7867  15.415  3.7945 283.169 32.713 262.125 36.138 -0.000000      0.000000 
1 1 1 -10 0  5  o 2740.58 54.872 1608.79 63.627 0.0000  0.0000  1608.79 63.627 2740.58 54.872 2740.58 54.872 0.000000       0.000000 
1 1 1 -10 0  6  o 368.611 31.341 29.485  4.8110 29.485  4.8110  0.0000  0.0000 368.611 31.341 368.611 31.341 0.000000       0.000000 
1 1 1 -10 0  7  o 1439.66 26.653 440.421 16.237 421.917 23.207  458.165 22.726 1406.18 39.039 1466.12 36.654 -0.000000      0.000000 
1 1 1 -10 0  8  o 738.206 22.305 115.912 6.9585 116.013 9.6640  115.802 10.028 736.967 31.090 736.036 32.313 0.000000       0.000000 
1 1 1 -10 0  9  f 716.884 22.062 109.324 6.6835 107.974 9.2372  110.806 9.6824 710.867 30.815 719.951 31.899 0.000000       0.000000 
1 1 1 -10 0  10 o 1283.06 25.172 349.816 13.666 361.822 18.928  336.744 19.751 1302.96 34.356 1256.18 37.201 0.000000       0.000000 
1 1 1 -10 0  11 o 887.421 22.382 167.398 8.3993 175.376 11.451  158.106 12.358 907.025 29.885 860.154 34.046 0.000000       0.000000 
1 1 1 -10 0  12 o 718.878 21.043 109.906 6.3939 112.201 9.6350  108.100 8.5472 724.420 31.542 711.631 28.465 -0.000000      0.000000 
1 1 1 -10 0  13 o 1929.01 43.607 795.635 35.582 0.0000  0.0000  795.635 35.582 1929.01 43.607 1929.01 43.607 0.000000       0.000000 
1 1 1 -10 0  14 o 420.585 24.865 37.954  4.3933 37.954  4.3933  0.0000  0.0000 420.585 24.865 420.585 24.865 0.000000       0.000000 
1 1 1 -10 0  15 o 209.801 25.161 9.7430  2.1505 9.7430  2.1505  0.0000  0.0000 209.801 25.161 209.801 25.161 0.000000       0.000000 
1 1 1 -10 0  16 o 113.421 21.476 3.0050  0.9238 2.4487  1.1334  4.1056  1.5944 94.642  31.695 127.196 34.248 0.000000       0.000000 
1 1 1 -10 0  17 o 568.305 17.389 68.698  4.1762 56.131  7.3951  74.582  5.0603 509.656 34.630 591.757 20.246 -0.000000      0.000000 
1 1 1 -10 0  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  27 f 66.565  25.794 1.2941  0.6914 1.2941  0.6914  0.0000  0.0000 66.565  25.794 66.565  25.794 -0.000000      0.000000 
1 1 1 -10 0  28 o 264.951 17.717 15.176  1.9675 15.176  1.9675  0.0000  0.0000 264.951 17.717 264.951 17.717 -0.000000      0.000000 
1 1 1 -10 0  29 o 232.364 33.931 12.469  3.1309 12.469  3.1309  0.0000  0.0000 232.364 33.931 232.364 33.931 -0.000000      0.000000 
1 1 1 -10 0  30 o 144.676 38.365 5.4302  2.0309 0.0000  0.0000  5.4302  2.0309 144.676 38.365 144.676 38.365 0.000000       0.000000 
1 1 1 -10 0  31 o 589.214 20.596 74.890  5.1249 74.890  5.1249  0.0000  0.0000 589.214 20.596 589.214 20.596 -0.000000      0.000000 
1 1 1 -10 1  1  o 280.194 16.654 16.714  1.9672 17.841  2.7593  15.548  2.8054 288.882 22.739 269.278 24.883 19.60400       33.70750 
1 1 1 -10 1  2  o 526.729 15.855 58.847  3.5368 58.410  4.9786  59.294  5.0253 524.320 22.422 528.270 22.463 -3.950439      31.73805 
1 1 1 -10 1  3  o 1301.25 18.380 359.360 10.129 366.385 14.307  352.302 14.341 1312.46 25.741 1286.85 26.316 25.60193       36.81178 
1 1 1 -10 1  4  o 103.691 23.358 2.3758  1.0011 2.5043  1.3673  2.2274  1.4697 106.788 29.334 102.098 31.151 4.689949       42.78858 
1 1 1 -10 1  5  o 1789.33 29.830 682.111 22.604 659.258 31.906  705.138 32.027 1753.35 42.970 1814.00 41.690 -60.65515      59.87077 
1 1 1 -10 1  6  o 106.084 35.164 2.2820  1.8418 2.2820  1.8418  0.0000  0.0000 106.084 35.164 ?       ?      0.000000       35.16412 
1 1 1 -10 1  7  o 907.917 16.393 174.877 6.3030 172.404 8.8687  177.401 8.9596 900.608 23.253 913.581 23.158 -12.97253      32.81743 
1 1 1 -10 1  8  o 398.758 15.119 33.725  2.5532 34.196  3.5820  33.238  3.6401 400.660 21.186 394.920 21.850 5.739807       30.43493 
1 1 1 -10 1  9  o 271.916 15.242 15.732  1.7481 14.937  2.4403  16.570  2.5055 264.222 22.009 278.456 21.411 -14.23376      30.70519 
1 1 1 -10 1  10 o 792.141 15.625 133.112 5.2415 136.300 7.3425  129.800 7.4847 800.891 21.648 781.438 22.617 19.45398       31.30783 
1 1 1 -10 1  11 o 878.296 17.899 163.753 6.6574 161.930 8.1516  167.403 11.537 872.827 22.053 885.864 30.753 -13.03650      37.84249 
1 1 1 -10 1  12 o 1055.87 18.962 236.765 8.4788 240.191 10.167  228.942 15.363 1062.83 22.589 1034.60 35.065 28.22961       41.71144 
1 1 1 -10 1  13 o 557.508 16.869 65.977  3.9827 65.539  7.2021  66.170  4.7802 553.207 30.865 558.021 20.228 -4.813965      36.90239 
1 1 1 -10 1  14 o 359.725 14.855 27.457  2.2630 27.513  2.8434  27.361  3.7376 359.385 18.747 357.587 24.835 1.798248       31.11694 
1 1 1 -10 1  15 o 728.653 17.724 112.780 5.4691 110.436 7.5760  115.331 7.9032 719.943 24.849 735.627 25.369 -15.68457      35.51107 
1 1 1 -10 1  16 o 749.313 13.110 119.110 4.1601 122.116 5.8109  115.949 5.9584 758.072 18.100 738.543 19.051 19.52899       26.27830 
1 1 1 -10 1  17 f 852.267 23.181 154.756 8.3665 154.756 8.3665  0.0000  0.0000 852.267 23.181 ?       ?      0.000000       23.18062 
1 1 1 -10 1  18 o 480.973 22.000 49.270  4.4811 49.270  4.4811  0.0000  0.0000 480.973 22.000 ?       ?      0.000000       22.00008 
1 1 1 -10 1  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 1  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 1  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 1  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 1  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 1  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 1  25 o 218.424 21.827 10.346  1.9920 0.0000  0.0000  10.346  1.9920 ?       ?      218.424 21.827 0.000000       21.82667 
1 1 1 -10 1  26 o 364.282 16.789 28.382  2.5900 0.0000  0.0000  28.382  2.5900 ?       ?      364.282 16.789 0.000000       16.78856 
1 1 1 -10 1  27 o 137.337 16.232 4.0944  0.9258 2.9975  1.7721  4.5062  1.0857 114.929 34.014 143.728 18.249 -28.79913      38.60052 
1 1 1 -10 1  28 o 319.801 12.228 21.817  1.6561 20.100  2.3121  23.626  2.3731 305.148 17.971 331.248 16.974 -26.09985      24.71988 
1 1 1 -10 1  29 o 231.377 18.777 11.633  1.8240 11.633  1.8240  0.0000  0.0000 231.377 18.777 ?       ?      0.000000       18.77720 
1 1 1 -10 1  30 o 308.914 19.513 20.800  2.5396 16.786  3.9688  23.583  3.3049 268.482 35.798 326.643 24.061 -58.16144      43.13207 
1 1 1 -10 1  31 o 98.386  29.650 2.2137  1.3375 0.0000  0.0000  2.2137  1.3375 ?       ?      98.386  29.650 0.000000       29.64997 
1 1 1 -10 2  1  o 690.313 16.113 101.081 4.7104 99.512  6.6349  102.676 6.6885 684.319 22.895 695.134 22.720 -10.81470      32.25492 
1 1 1 -10 2  2  o 1270.52 18.251 342.578 9.8199 351.637 13.836  333.382 13.940 1285.85 25.408 1251.83 26.294 34.01575       36.56445 
1 1 1 -10 2  3  o 799.756 16.338 135.681 5.5334 127.755 7.7533  143.909 7.8996 775.278 23.615 822.957 22.667 -47.67908      32.73274 
1 1 1 -10 2  4  o 620.561 15.783 81.682  4.1478 83.875  5.8246  79.425  5.9081 628.343 21.889 611.359 22.820 16.98315       31.62064 
1 1 1 -10 2  5  o 427.825 22.266 38.994  4.0203 40.357  5.6463  37.593  5.7255 434.056 30.919 418.580 32.555 15.47540       44.89802 
1 1 1 -10 2  6  o 639.268 18.044 86.730  4.8849 87.739  8.2796  86.191  6.0501 641.623 30.471 636.884 22.431 4.739624       37.83698 
1 1 1 -10 2  7  o 910.177 18.844 175.857 7.2636 179.230 8.8680  168.984 12.661 918.325 22.803 889.772 33.601 28.55261       40.60799 
1 1 1 -10 2  8  o 1336.84 18.194 379.328 10.300 379.166 14.446  379.495 14.691 1335.01 25.551 1335.48 25.975 -0.4742432     36.43584 
1 1 1 -10 2  9  o 739.862 15.569 116.116 4.8781 117.086 6.7966  115.085 7.0055 742.333 21.620 735.858 22.480 6.474915       31.18923 
1 1 1 -10 2  10 o 401.294 14.671 34.154  2.4932 35.043  3.4451  33.177  3.6127 406.197 20.027 394.536 21.706 11.66086       29.53358 
1 1 1 -10 2  11 o 673.386 14.974 96.185  4.2702 99.018  5.8868  93.040  6.2035 682.717 20.361 661.591 22.141 21.12585       30.07996 
1 1 1 -10 2  12 o 1421.62 20.793 429.466 12.518 437.918 15.032  410.341 22.612 1434.48 24.744 1383.61 38.591 50.87463       45.84228 
1 1 1 -10 2  13 o 861.786 21.920 157.921 8.0001 0.0000  0.0000  157.921 8.0001 ?       ?      861.786 21.920 0.000000       21.92048 
1 1 1 -10 2  14 o 378.424 21.173 30.545  3.3796 34.986  4.7235  25.887  4.8375 404.083 27.771 346.279 33.402 57.80466       43.43854 
1 1 1 -10 2  15 o 357.056 18.759 27.166  2.8266 24.343  4.4285  29.107  3.6718 335.940 31.496 368.968 23.623 -33.02844      39.37056 
1 1 1 -10 2  16 f 777.816 18.603 128.587 6.1277 136.320 7.5597  113.772 10.463 800.208 22.308 728.476 33.917 71.73212       40.59545 
1 1 1 -10 2  17 o 679.131 17.954 98.025  5.1635 106.095 6.3372  82.084  8.9067 706.018 21.195 617.551 34.190 88.46631       40.22657 
1 1 1 -10 2  18 o 484.675 17.643 49.928  3.6213 55.750  4.5082  39.340  6.0801 511.777 20.801 426.778 33.920 84.99878       39.79012 
1 1 1 -10 2  19 o 253.387 29.425 13.923  3.0987 0.0000  0.0000  13.923  3.0987 ?       ?      253.387 29.425 0.000000       29.42485 
1 1 1 -10 2  20 o 279.185 28.425 16.857  3.3139 0.0000  0.0000  16.857  3.3139 ?       ?      279.185 28.425 0.000000       28.42544 
1 1 1 -10 2  21 o 967.259 30.218 201.092 12.378 0.0000  0.0000  201.092 12.378 ?       ?      967.259 30.218 0.000000       30.21784 
1 1 1 -10 2  22 o 333.372 25.136 23.959  3.5226 0.0000  0.0000  23.959  3.5226 ?       ?      333.372 25.136 0.000000       25.13613 
1 1 1 -10 2  23 o 547.906 24.925 64.500  5.7834 0.0000  0.0000  64.500  5.7834 ?       ?      547.906 24.925 0.000000       24.92486 
1 1 1 -10 2  24 o 142.166 25.913 4.4866  1.5027 0.0000  0.0000  4.4866  1.5027 ?       ?      142.166 25.913 0.000000       25.91343 
1 1 1 -10 2  25 o 117.945 33.444 3.1290  1.7474 0.0000  0.0000  3.1290  1.7474 ?       ?      117.945 33.444 0.000000       33.44446 
1 1 1 -10 2  26 o 263.832 17.061 14.953  1.8960 0.0000  0.0000  14.953  1.8960 ?       ?      263.832 17.061 0.000000       17.06064 
1 1 1 -10 2  27 o 319.398 17.210 21.946  2.3192 0.0000  0.0000  21.946  2.3192 ?       ?      319.398 17.210 0.000000       17.20964 
1 1 1 -10 2  28 o 435.412 14.806 40.583  2.7302 40.510  3.1102  40.827  5.7000 434.307 16.910 427.500 31.711 6.806793       35.93755 
1 1 1 -10 2  29 o 279.678 16.155 16.862  1.9053 18.519  2.7501  15.333  2.6421 290.774 22.508 263.864 23.903 26.90967       32.83274 
1 1 1 -10 2  30 o 142.870 17.304 4.4694  1.0256 4.5701  1.4213  4.3601  1.4814 142.286 24.470 138.300 26.254 3.986832       35.88984 
1 1 1 -10 2  31 o 312.662 17.001 21.186  2.2426 22.248  3.9202  20.670  2.7342 313.101 29.930 306.892 21.168 6.209351       36.65888 
1 1 1 -10 3  1  o 880.430 16.635 164.445 6.2023 161.967 8.7064  166.999 8.8378 872.946 23.551 886.403 23.543 -13.45691      33.30070 
1 1 1 -10 3  2  o 569.140 15.812 68.706  3.8110 73.111  5.3640  64.215  5.4156 586.671 21.590 549.682 23.265 36.98822       31.73891 
1 1 1 -10 3  3  o 858.118 16.461 156.212 5.9821 158.495 8.3869  153.847 8.5349 863.615 22.932 850.755 23.689 12.86035       32.97042 
1 1 1 -10 3  4  o 514.198 15.498 56.078  3.3748 55.329  4.7224  56.860  4.8246 510.334 21.851 517.335 22.022 -7.000702      31.02270 
1 1 1 -10 3  5  o 655.242 18.137 91.119  5.0329 93.520  6.1070  86.036  8.8855 663.488 21.734 634.154 33.201 29.33380       39.68273 
1 1 1 -10 3  6  o 448.181 22.046 42.678  4.1843 0.0000  0.0000  42.678  4.1843 ?       ?      448.181 22.046 0.000000       22.04585 
1 1 1 -10 3  7  o 970.195 19.027 199.826 7.8175 199.928 9.5090  199.615 13.732 969.840 23.152 967.062 33.529 2.778137       40.74572 
1 1 1 -10 3  8  o 476.834 15.085 48.224  3.0462 46.631  4.1965  49.999  4.4288 468.517 21.150 485.112 21.558 -16.59500      30.20058 
1 1 1 -10 3  9  o 793.358 15.575 133.516 5.2330 129.887 7.2187  137.534 7.5969 781.832 21.802 804.451 22.299 -22.61877      31.18662 
1 1 1 -10 3  10 o 710.474 15.163 107.071 4.5622 106.093 6.2698  108.171 6.6510 706.660 20.951 713.423 22.014 -6.762939      30.38992 
1 1 1 -10 3  11 o 436.250 14.359 40.364  2.6529 40.565  3.6208  40.132  3.8979 437.027 19.564 434.574 21.180 2.452484       28.83279 
1 1 1 -10 3  12 o 352.973 16.183 26.439  2.4190 27.074  2.8656  24.865  4.5125 356.533 19.048 339.814 31.724 16.71838       37.00288 
1 1 1 -10 3  13 o 263.203 18.622 14.787  2.0623 14.103  2.7309  15.694  3.1459 256.092 25.521 269.906 27.927 -13.81403      37.83118 
1 1 1 -10 3  14 o 561.601 30.425 67.562  7.2091 0.0000  0.0000  67.562  7.2091 ?       ?      561.601 30.425 0.000000       30.42496 
1 1 1 -10 3  15 o 804.867 27.103 138.201 9.2380 0.0000  0.0000  138.201 9.2380 ?       ?      804.867 27.103 0.000000       27.10255 
1 1 1 -10 3  16 o 616.822 15.879 80.784  4.1478 79.863  5.5335  81.966  6.2664 612.618 21.329 620.247 23.857 -7.628357      32.00090 
1 1 1 -10 3  17 o 553.323 17.199 65.052  4.0303 70.305  4.9434  54.639  6.9599 574.843 20.306 503.809 32.799 71.03458       38.57663 
1 1 1 -10 3  18 o 405.823 16.882 34.994  2.9014 34.758  3.6100  35.423  4.8760 403.509 21.200 406.035 28.538 -2.525970      35.55067 
1 1 1 -10 3  19 o 1180.77 22.480 297.122 11.241 321.662 15.349  268.733 16.508 1225.69 29.569 1117.91 34.870 107.7822       45.71939 
1 1 1 -10 3  20 o 432.793 26.557 40.202  4.8440 0.0000  0.0000  40.202  4.8440 ?       ?      432.793 26.557 0.000000       26.55728 
1 1 1 -10 3  21 o 620.919 26.204 82.573  6.8903 0.0000  0.0000  82.573  6.8903 ?       ?      620.919 26.204 0.000000       26.20354 
1 1 1 -10 3  22 o 162.563 26.819 5.8199  1.7820 0.0000  0.0000  5.8199  1.7820 ?       ?      162.563 26.819 0.000000       26.81936 
1 1 1 -10 3  23 o 238.256 24.136 12.306  2.4017 0.0000  0.0000  12.306  2.4017 ?       ?      238.256 24.136 0.000000       24.13590 
1 1 1 -10 3  24 o 565.528 22.868 68.692  5.4768 0.0000  0.0000  68.692  5.4768 ?       ?      565.528 22.868 0.000000       22.86789 
1 1 1 -10 3  25 o 147.147 19.431 4.7155  1.1812 0.0000  0.0000  4.7155  1.1812 ?       ?      147.147 19.431 0.000000       19.43067 
1 1 1 -10 3  26 o 270.172 31.889 16.220  3.5783 0.0000  0.0000  16.220  3.5783 ?       ?      270.172 31.889 0.000000       31.88932 
1 1 1 -10 3  27 o 245.063 32.896 13.532  3.3278 0.0000  0.0000  13.532  3.3278 ?       ?      245.063 32.896 0.000000       32.89595 
1 1 1 -10 3  28 o 460.846 21.685 46.032  4.2322 0.0000  0.0000  46.032  4.2322 ?       ?      460.846 21.685 0.000000       21.68549 
1 1 1 -10 3  29 o 113.507 16.241 2.8227  0.7584 3.2091  1.0320  2.3690  1.1183 119.951 21.086 101.907 25.868 18.04423       33.37344 
1 1 1 -10 3  30 o 317.280 13.594 21.583  1.8266 23.186  2.5833  19.980  2.5830 326.529 18.760 302.364 20.290 24.16531       27.63397 
1 1 1 -10 3  31 o 540.043 16.725 62.995  3.8250 51.410  6.6831  68.639  4.6645 473.054 33.578 561.647 19.611 -88.59366      38.88543 
1 1 1 -10 4  1  o 477.367 15.755 48.335  3.1850 51.128  4.4665  45.445  4.5429 490.607 21.498 461.832 23.303 28.77509       31.70466 
1 1 1 -10 4  2  o 698.252 15.995 103.419 4.7298 104.803 6.6162  101.972 6.7642 702.334 22.244 692.696 23.058 9.638062       32.03911 
1 1 1 -10 4  3  o 1140.47 17.535 275.993 8.4689 277.853 11.865  274.061 12.092 1143.15 24.508 1135.20 25.153 7.952637       35.11876 
1 1 1 -10 4  4  o 1515.46 19.341 487.561 12.413 507.542 17.411  466.909 17.701 1544.42 26.620 1480.86 28.225 63.56140       38.79789 
1 1 1 -10 4  5  o 124.713 23.835 3.4164  1.2130 3.9945  1.4229  1.8790  2.3204 134.798 25.866 105.859 39.120 28.93830       46.89803 
1 1 1 -10 4  6  o 1493.15 27.339 474.585 17.287 0.0000  0.0000  474.585 17.287 ?       ?      1493.15 27.339 0.000000       27.33881 
1 1 1 -10 4  7  o 1128.54 19.697 270.432 9.4136 269.540 11.415  272.327 16.642 1125.93 23.941 1129.16 34.801 -3.230591      42.24064 
1 1 1 -10 4  8  o 705.889 15.430 105.692 4.6128 102.175 6.3488  109.624 6.7133 693.466 21.618 718.248 22.071 -24.78137      30.89449 
1 1 1 -10 4  9  o 529.533 14.826 59.472  3.3248 60.778  4.5583  57.986  4.8600 534.950 20.121 522.368 21.969 12.58185       29.79105 
1 1 1 -10 4  10 o 662.293 17.141 93.088  4.8077 89.897  7.6863  95.139  6.1619 649.629 27.939 669.090 21.746 -19.46124      35.40464 
1 1 1 -10 4  11 o 211.709 17.058 9.5741  1.5164 9.4022  2.3983  9.6885  1.9573 208.253 27.895 212.356 22.088 -4.102692      35.58063 
1 1 1 -10 4  12 o 1052.95 22.053 235.724 9.8339 229.198 13.066  244.251 14.935 1036.54 29.765 1069.14 32.986 -32.59619      44.43032 
1 1 1 -10 4  13 o 613.082 16.182 79.775  4.2015 80.552  6.5430  79.229  5.4808 615.051 25.120 610.473 21.200 4.577698       32.87019 
1 1 1 -10 4  14 o 429.273 18.295 39.145  3.3259 41.065  4.2463  36.097  5.3495 438.684 22.936 409.853 31.051 28.83157       38.60366 
1 1 1 -10 4  15 o 406.456 25.831 35.362  4.4231 0.0000  0.0000  35.362  4.4231 ?       ?      406.456 25.831 0.000000       25.83055 
1 1 1 -10 4  16 o 1270.97 17.759 343.234 9.5584 338.032 15.013  346.781 12.395 1258.00 28.180 1276.05 22.938 -18.04395      36.33515 
1 1 1 -10 4  17 f 372.727 20.219 29.643  3.1796 29.643  3.1796  0.0000  0.0000 372.727 20.219 ?       ?      0.000000       20.21906 
1 1 1 -10 4  18 o 574.448 16.954 70.119  4.1244 68.645  5.2301  72.542  6.7070 567.738 21.753 582.693 27.179 -14.95569      34.81267 
1 1 1 -10 4  19 o 513.404 17.949 56.044  3.9026 57.148  5.2792  54.714  5.7949 517.581 24.085 505.217 27.185 12.36368       36.31923 
1 1 1 -10 4  20 o 584.529 26.095 73.052  6.4597 0.0000  0.0000  73.052  6.4597 ?       ?      584.529 26.095 0.000000       26.09513 
1 1 1 -10 4  21 o 515.597 25.151 56.895  5.4918 0.0000  0.0000  56.895  5.4918 ?       ?      515.597 25.151 0.000000       25.15128 
1 1 1 -10 4  22 o 433.872 24.314 40.463  4.4496 0.0000  0.0000  40.463  4.4496 ?       ?      433.872 24.314 0.000000       24.31449 
1 1 1 -10 4  23 o 316.020 23.452 21.541  3.1162 0.0000  0.0000  21.541  3.1162 ?       ?      316.020 23.452 0.000000       23.45211 
1 1 1 -10 4  24 o 423.895 21.864 38.649  3.9116 0.0000  0.0000  38.649  3.9116 ?       ?      423.895 21.864 0.000000       21.86416 
1 1 1 -10 4  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 4  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 4  27 o 292.516 20.829 18.562  2.5634 0.0000  0.0000  18.562  2.5634 ?       ?      292.516 20.829 0.000000       20.82882 
1 1 1 -10 4  28 o 246.129 18.040 13.104  1.8673 0.0000  0.0000  13.104  1.8673 ?       ?      246.129 18.040 0.000000       18.04040 
1 1 1 -10 4  29 o 250.043 14.984 13.457  1.5793 16.295  2.6548  11.903  1.9648 272.264 23.248 233.582 20.057 38.68138       30.70414 
1 1 1 -10 4  30 o 143.696 16.344 4.5060  0.9769 4.0711  1.3457  4.9906  1.4205 134.035 24.614 149.224 23.235 -15.18913      33.84801 
1 1 1 -10 4  31 o 552.679 16.183 65.898  3.7878 67.470  6.5201  65.097  4.6537 548.430 28.168 546.568 20.105 1.862427       34.60701 
1 1 1 -10 5  1  o 354.618 16.025 26.675  2.4067 24.850  3.3530  28.615  3.4564 341.142 23.349 366.297 22.389 -25.15421      32.34903 
1 1 1 -10 5  2  o 1148.67 17.599 279.983 8.5609 276.815 11.987  283.283 12.231 1140.94 24.809 1154.16 25.023 -13.21033      35.23653 
1 1 1 -10 5  3  o 598.489 15.729 75.975  3.9867 70.326  5.5326  82.076  5.7497 575.274 22.710 621.560 21.843 -46.28638      31.50965 
1 1 1 -10 5  4  o 745.747 16.005 117.971 5.0546 120.186 7.0433  115.618 7.2582 752.107 22.113 737.543 23.238 14.56384       32.07808 
1 1 1 -10 5  5  o 670.514 18.110 95.418  5.1425 89.484  6.1921  108.611 9.2324 648.919 22.532 713.849 30.540 -64.92975      37.95216 
1 1 1 -10 5  6  o 954.932 23.776 193.868 9.6149 0.0000  0.0000  193.868 9.6149 ?       ?      954.932 23.776 0.000000       23.77551 
1 1 1 -10 5  7  o 587.072 21.072 73.213  5.2389 69.998  7.1037  77.047  7.7571 572.429 29.403 600.415 30.609 -27.98578      42.44340 
1 1 1 -10 5  8  o 981.217 22.650 204.636 9.4118 206.132 12.764  202.852 13.933 983.261 30.653 974.695 33.756 8.565674       45.59656 
1 1 1 -10 5  9  o 397.862 16.787 33.589  2.8284 33.602  4.4994  33.581  3.6368 396.375 26.965 396.943 21.717 -0.5678101     34.62266 
1 1 1 -10 5  10 o 482.672 16.607 49.437  3.3946 50.597  5.3626  48.661  4.3850 486.849 26.105 478.512 21.639 8.336731       33.90729 
1 1 1 -10 5  11 o 570.411 16.490 69.047  3.9834 67.443  6.2334  70.155  5.1787 562.806 26.153 574.546 21.284 -11.73981      33.71951 
1 1 1 -10 5  12 o 493.912 19.130 51.816  4.0015 52.327  5.2382  51.100  6.2005 495.166 25.061 488.457 30.122 6.708740       39.18422 
1 1 1 -10 5  13 o 332.977 15.728 23.530  2.2179 23.203  3.4207  23.766  2.9132 329.209 24.716 333.737 20.714 -4.527832      32.24856 
1 1 1 -10 5  14 o 335.017 17.970 23.908  2.5402 23.526  3.2088  24.549  4.1577 331.691 22.985 337.842 29.352 -6.150665      37.28062 
1 1 1 -10 5  15 o 893.930 21.615 170.034 8.1829 0.0000  0.0000  170.034 8.1829 ?       ?      893.930 21.615 0.000000       21.61525 
1 1 1 -10 5  16 o 633.112 19.128 85.220  5.1287 0.0000  0.0000  85.220  5.1287 ?       ?      633.112 19.128 0.000000       19.12845 
1 1 1 -10 5  17 o 536.762 16.655 61.207  3.7859 64.217  4.7597  56.021  6.2465 549.349 20.459 511.035 28.983 38.31366       35.47627 
1 1 1 -10 5  18 o 507.469 21.131 54.829  4.5413 54.829  4.5413  0.0000  0.0000 507.469 21.131 ?       ?      0.000000       21.13129 
1 1 1 -10 5  19 o 343.852 23.554 25.332  3.4092 25.332  3.4092  0.0000  0.0000 343.852 23.554 ?       ?      0.000000       23.55405 
1 1 1 -10 5  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 5  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 5  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 5  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 5  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 5  25 o 267.950 20.790 15.498  2.3407 0.0000  0.0000  15.498  2.3407 ?       ?      267.950 20.790 0.000000       20.79004 
1 1 1 -10 5  26 o 95.979  26.438 2.0644  1.1089 0.0000  0.0000  2.0644  1.1089 ?       ?      95.979  26.438 0.000000       26.43844 
1 1 1 -10 5  27 o 425.821 20.859 39.163  3.7615 0.0000  0.0000  39.163  3.7615 ?       ?      425.821 20.859 0.000000       20.85905 
1 1 1 -10 5  28 f 271.731 18.098 15.962  2.0708 0.0000  0.0000  15.962  2.0708 ?       ?      271.731 18.098 0.000000       18.09831 
1 1 1 -10 5  29 o 302.270 19.343 19.849  2.4630 21.715  3.1356  16.841  3.9800 314.251 23.736 270.277 35.641 43.97455       42.82186 
1 1 1 -10 5  30 o 380.798 15.000 31.181  2.4190 32.735  4.0803  30.339  3.0037 384.128 25.223 373.424 19.057 10.70416       31.61271 
1 1 1 -10 5  31 o 276.691 16.648 16.591  1.9416 15.263  3.1213  17.430  2.4798 259.458 28.897 281.777 20.931 -22.31894      35.68126 
1 1 1 -10 6  1  o 1353.86 18.589 389.057 10.658 382.196 14.955  396.137 15.192 1340.23 26.349 1364.47 26.292 -24.23767      37.22270 
1 1 1 -10 6  2  o 1056.69 19.830 237.083 8.8741 228.888 15.060  241.442 10.983 1035.44 34.345 1065.62 24.338 -30.18530      42.09439 
1 1 1 -10 6  3  o 857.508 18.925 156.092 6.8725 146.609 11.595  161.226 8.5327 828.932 33.031 870.958 23.134 -42.02582      40.32648 
1 1 1 -10 6  4  o 1619.68 22.882 557.534 15.695 564.065 26.611  554.051 19.436 1623.58 38.702 1612.99 28.454 10.59521       48.03619 
1 1 1 -10 6  5  o 526.023 21.506 58.783  4.7908 58.690  6.5254  58.891  7.0561 524.032 29.524 524.526 31.917 -0.4940796     43.47854 
1 1 1 -10 6  6  o 1539.41 26.896 504.403 17.534 503.107 24.202  505.836 25.438 1533.78 37.260 1537.17 39.077 -3.393188      53.99357 
1 1 1 -10 6  7  o 1252.55 25.412 333.773 13.480 0.0000  0.0000  333.773 13.480 ?       ?      1252.55 25.412 0.000000       25.41179 
1 1 1 -10 6  8  o 1172.83 23.728 292.482 11.785 291.812 15.961  293.286 17.475 1169.43 32.229 1171.51 35.224 -2.077515      47.74344 
1 1 1 -10 6  9  o 1316.74 20.307 368.282 11.324 371.541 18.513  366.334 14.314 1319.12 33.140 1312.00 25.761 7.115479       41.97516 
1 1 1 -10 6  10 o 969.832 18.255 199.687 7.4977 210.500 12.000  192.762 9.6031 993.866 28.510 951.988 23.820 41.87775       37.15098 
1 1 1 -10 6  11 o 769.116 17.136 125.558 5.5814 127.001 8.8074  124.590 7.2152 772.155 26.934 765.511 22.256 6.644104       34.93959 
1 1 1 -10 6  12 o 627.826 19.453 83.737  5.1722 83.717  6.7806  83.763  7.9986 627.013 25.536 626.493 30.148 0.5208740      39.50902 
1 1 1 -10 6  13 f 747.136 16.515 118.496 5.2254 114.466 8.0557  121.424 6.8657 732.969 25.952 755.656 21.454 -22.68744      33.67206 
1 1 1 -10 6  14 o 412.467 17.608 36.135  3.0757 37.070  3.9055  34.607  4.9907 416.812 22.206 401.482 29.561 15.32996       36.97189 
1 1 1 -10 6  15 o 831.935 21.362 147.261 7.5263 0.0000  0.0000  147.261 7.5263 ?       ?      831.935 21.362 0.000000       21.36245 
1 1 1 -10 6  16 o 487.236 13.919 50.378  2.8721 51.061  4.2299  49.794  3.9122 489.918 20.388 483.937 19.089 5.980743       27.92962 
1 1 1 -10 6  17 o 638.387 27.308 87.062  7.3827 0.0000  0.0000  87.062  7.3827 ?       ?      638.387 27.308 0.000000       27.30771 
1 1 1 -10 6  18 o 496.225 26.028 52.718  5.4506 0.0000  0.0000  52.718  5.4506 ?       ?      496.225 26.028 0.000000       26.02804 
1 1 1 -10 6  19 o 470.679 25.301 47.439  5.0248 0.0000  0.0000  47.439  5.0248 ?       ?      470.679 25.301 0.000000       25.30145 
1 1 1 -10 6  20 o 533.824 18.466 60.647  4.1746 72.260  6.1626  50.798  5.6750 581.474 25.026 486.275 27.672 95.19925       37.30985 
1 1 1 -10 6  21 o 192.685 26.094 8.0958  2.0745 0.0000  0.0000  8.0958  2.0745 ?       ?      192.685 26.094 0.000000       26.09440 
1 1 1 -10 6  22 o 386.319 23.769 32.099  3.8698 0.0000  0.0000  32.099  3.8698 ?       ?      386.319 23.769 0.000000       23.76879 
1 1 1 -10 6  23 o 273.186 22.624 16.110  2.5939 0.0000  0.0000  16.110  2.5939 ?       ?      273.186 22.624 0.000000       22.62425 
1 1 1 -10 6  24 f 130.079 26.150 3.7771  1.3906 0.0000  0.0000  3.7771  1.3906 ?       ?      130.079 26.150 0.000000       26.14975 
1 1 1 -10 6  25 o 296.217 20.971 18.931  2.6137 0.0000  0.0000  18.931  2.6137 ?       ?      296.217 20.971 0.000000       20.97059 
1 1 1 -10 6  26 o 216.817 21.587 10.227  1.9558 0.0000  0.0000  10.227  1.9558 ?       ?      216.817 21.587 0.000000       21.58696 
1 1 1 -10 6  27 o 380.581 21.004 31.391  3.3722 0.0000  0.0000  31.391  3.3722 ?       ?      380.581 21.004 0.000000       21.00396 
1 1 1 -10 6  28 o 556.698 22.497 67.332  5.3038 0.0000  0.0000  67.332  5.3038 ?       ?      556.698 22.497 0.000000       22.49699 
1 1 1 -10 6  29 o 434.507 18.685 40.816  3.4383 0.0000  0.0000  40.816  3.4383 ?       ?      434.507 18.685 0.000000       18.68541 
1 1 1 -10 6  30 o 147.052 17.515 4.7380  1.0693 3.6093  1.6350  5.5816  1.4135 124.104 31.155 158.482 21.625 -34.37812      37.92452 
1 1 1 -10 6  31 o 192.635 17.463 8.0922  1.4091 7.8569  2.1579  8.2671  1.8606 185.545 28.364 192.615 23.282 -7.070023      36.69534 
1 1 1 -10 7  1  o 991.058 19.557 208.543 8.2081 213.120 13.943  206.117 10.154 999.374 32.945 984.536 24.353 14.83771       40.96922 
1 1 1 -10 7  2  o 1527.58 22.417 495.870 14.502 515.503 24.746  485.601 17.897 1552.53 37.638 1510.19 27.984 42.33997       46.90072 
1 1 1 -10 7  3  o 1231.98 20.539 322.344 10.716 331.258 18.103  317.536 13.295 1245.58 34.320 1221.73 25.696 23.84790       42.87347 
1 1 1 -10 7  4  o 1066.22 19.545 241.371 8.8250 241.028 14.786  241.561 10.999 1062.83 32.850 1065.83 24.368 -3.006592      40.90132 
1 1 1 -10 7  5  o 243.979 22.616 12.758  2.3102 11.653  3.1034  14.132  3.4599 231.493 32.555 255.313 32.755 -23.82027      46.18150 
1 1 1 -10 7  6  o 798.621 18.065 135.371 6.1098 128.242 9.9792  139.646 7.7274 775.630 30.381 810.601 22.510 -34.97107      37.81134 
1 1 1 -10 7  7  o 849.571 22.932 153.425 8.2504 0.0000  0.0000  153.425 8.2504 ?       ?      849.571 22.932 0.000000       22.93157 
1 1 1 -10 7  8  o 1425.97 25.356 432.647 15.312 414.817 20.833  453.597 22.582 1393.12 35.311 1456.27 36.617 -63.15344      50.86918 
1 1 1 -10 7  9  o 1004.26 22.230 214.372 9.4545 216.581 12.626  211.551 14.265 1007.94 29.578 995.127 33.850 12.81146       44.95232 
1 1 1 -10 7  10 o 788.804 17.306 132.068 5.7809 131.193 9.1641  132.647 7.4504 784.734 27.576 789.906 22.272 -5.172302      35.44645 
1 1 1 -10 7  11 o 348.992 16.129 25.846  2.3837 25.547  3.6670  26.065  3.1369 345.518 25.235 349.542 21.293 -4.023712      33.01831 
1 1 1 -10 7  12 o 681.380 19.546 98.641  5.6402 101.266 7.4385  95.090  8.6510 689.578 25.472 667.372 30.609 22.20538       39.82147 
1 1 1 -10 7  13 o 483.796 15.512 49.673  3.1781 47.611  4.8228  51.256  4.2252 472.271 24.195 491.046 20.318 -18.77496      31.59475 
1 1 1 -10 7  14 o 653.515 15.505 90.652  4.2912 90.655  6.4076  90.650  5.7783 652.550 23.187 652.861 20.900 -0.3101196     31.21563 
1 1 1 -10 7  15 o 486.320 20.070 50.297  4.1334 0.0000  0.0000  50.297  4.1334 ?       ?      486.320 20.070 0.000000       20.06977 
1 1 1 -10 7  16 o 606.757 12.384 78.092  3.1822 78.625  5.4614  77.818  3.9155 607.795 21.218 605.414 15.272 2.381104       26.14264 
1 1 1 -10 7  17 o 489.886 16.531 50.984  3.4295 58.803  4.4105  39.025  5.4543 525.736 19.809 425.879 30.443 99.85693       36.32050 
1 1 1 -10 7  18 o 398.848 16.098 33.794  2.7191 35.810  3.5408  30.896  4.2450 410.172 20.384 379.400 26.588 30.77277       33.50298 
1 1 1 -10 7  19 o 221.327 18.135 10.487  1.6848 11.394  2.3776  9.5723  2.3878 229.717 24.836 209.812 27.538 19.90459       37.08348 
1 1 1 -10 7  20 o 281.195 24.901 17.030  2.9347 0.0000  0.0000  17.030  2.9347 ?       ?      281.195 24.901 0.000000       24.90146 
1 1 1 -10 7  21 o 315.996 24.263 21.492  3.2221 0.0000  0.0000  21.492  3.2221 ?       ?      315.996 24.263 0.000000       24.26301 
1 1 1 -10 7  22 o 349.070 23.223 26.217  3.4134 0.0000  0.0000  26.217  3.4134 ?       ?      349.070 23.223 0.000000       23.22258 
1 1 1 -10 7  23 o 428.991 22.167 39.558  4.0134 0.0000  0.0000  39.558  4.0134 ?       ?      428.991 22.167 0.000000       22.16700 
1 1 1 -10 7  24 o 122.927 26.972 3.3894  1.3655 0.0000  0.0000  3.3894  1.3655 ?       ?      122.927 26.972 0.000000       26.97180 
1 1 1 -10 7  25 o 240.519 21.575 12.530  2.1743 0.0000  0.0000  12.530  2.1743 ?       ?      240.519 21.575 0.000000       21.57546 
1 1 1 -10 7  26 o 259.352 21.158 14.585  2.3036 0.0000  0.0000  14.585  2.3036 ?       ?      259.352 21.158 0.000000       21.15793 
1 1 1 -10 7  27 o 219.645 22.576 10.565  2.0701 0.0000  0.0000  10.565  2.0701 ?       ?      219.645 22.576 0.000000       22.57648 
1 1 1 -10 7  28 o 319.599 22.192 22.282  2.9850 0.0000  0.0000  22.282  2.9850 ?       ?      319.599 22.192 0.000000       22.19193 
1 1 1 -10 7  29 o 563.870 23.272 69.563  5.5573 0.0000  0.0000  69.563  5.5573 ?       ?      563.870 23.272 0.000000       23.27224 
1 1 1 -10 7  30 o 320.453 16.693 22.227  2.2575 25.339  3.2222  19.227  3.1638 339.235 22.557 293.617 25.703 45.61795       34.19753 
1 1 1 -10 7  31 o 153.364 26.383 5.3568  1.6517 0.0000  0.0000  5.3568  1.6517 ?       ?      153.364 26.383 0.000000       26.38297 
1 1 1 -10 8  1  o 743.270 18.536 117.272 5.8344 114.737 9.8202  118.655 7.2534 733.445 31.616 747.145 22.924 -13.70007      39.05242 
1 1 1 -10 8  2  f 739.605 18.373 116.110 5.7548 112.968 9.6498  117.845 7.1692 727.846 31.307 744.629 22.735 -16.78296      38.69072 
1 1 1 -10 8  3  o 843.977 18.607 151.202 6.6503 150.290 11.135  151.707 8.2914 839.517 31.320 844.807 23.175 -5.290466      38.96238 
1 1 1 -10 8  4  o 750.438 18.134 119.529 5.7632 121.529 9.5615  118.388 7.2226 755.154 29.898 746.328 22.852 8.826233       37.63137 
1 1 1 -10 8  5  o 1188.04 24.118 300.130 12.134 302.603 16.641  297.323 17.731 1190.73 33.001 1179.57 35.495 11.16174       48.46622 
1 1 1 -10 8  6  o 806.093 17.997 137.917 6.1435 141.085 10.047  136.025 7.7644 813.724 29.154 799.953 22.919 13.77173       37.08427 
1 1 1 -10 8  7  o 811.055 22.597 139.823 7.7616 0.0000  0.0000  139.823 7.7616 ?       ?      811.055 22.597 0.000000       22.59735 
1 1 1 -10 8  8  f 735.503 22.134 114.978 6.8944 0.0000  0.0000  114.978 6.8944 ?       ?      735.503 22.134 0.000000       22.13442 
1 1 1 -10 8  9  o 675.012 20.213 96.792  5.7780 90.245  7.6323  105.583 8.8436 650.861 27.690 703.688 29.676 -52.82635      40.58825 
1 1 1 -10 8  10 o 299.369 16.417 19.076  2.0734 17.090  3.2228  20.478  2.7083 281.935 27.336 309.748 20.767 -27.81281      34.32963 
1 1 1 -10 8  11 o 488.956 16.000 50.735  3.3131 43.065  5.1239  56.245  4.3433 448.766 27.088 514.515 19.933 -65.74854      33.63144 
1 1 1 -10 8  12 o 575.935 15.964 70.398  3.8937 69.708  6.0250  70.893  5.1024 572.167 24.865 577.487 20.864 -5.319397      32.45863 
1 1 1 -10 8  13 o 688.915 15.787 100.737 4.6058 92.135  6.9922  107.330 6.1214 657.638 25.106 710.539 20.343 -52.90051      32.31381 
1 1 1 -10 8  14 o 816.230 15.922 141.441 5.5038 134.714 8.2675  146.795 7.3758 795.154 24.552 830.739 20.965 -35.58459      32.28503 
1 1 1 -10 8  15 o 509.416 14.633 55.078  3.1568 59.774  4.5919  50.870  4.3470 530.095 20.455 488.962 20.993 41.13306       29.31046 
1 1 1 -10 8  16 o 353.828 14.652 26.576  2.1955 24.663  3.0123  28.743  3.2066 339.764 21.039 366.943 20.720 -27.17914      29.52868 
1 1 1 -10 8  17 o 452.314 16.187 43.459  3.1007 47.029  4.0159  38.189  4.8790 470.112 20.172 421.876 27.458 48.23587       34.07136 
1 1 1 -10 8  18 o 374.735 16.139 29.833  2.5613 30.240  3.3599  29.269  3.9574 376.248 21.172 369.414 25.451 6.833679       33.10646 
1 1 1 -10 8  19 o 801.020 18.227 136.482 6.1832 145.714 8.4012  125.572 9.1334 826.290 24.008 765.931 28.158 60.35944       37.00363 
1 1 1 -10 8  20 o 770.789 18.678 126.494 6.0970 126.093 8.6961  126.881 8.5507 767.362 26.760 769.923 26.225 -2.561584      37.46745 
1 1 1 -10 8  21 o 784.092 25.876 131.831 8.5924 0.0000  0.0000  131.831 8.5924 ?       ?      784.092 25.876 0.000000       25.87646 
1 1 1 -10 8  22 o 266.194 23.361 15.301  2.6069 0.0000  0.0000  15.301  2.6069 ?       ?      266.194 23.361 0.000000       23.36129 
1 1 1 -10 8  23 o 601.824 22.576 77.715  5.7538 0.0000  0.0000  77.715  5.7538 ?       ?      601.824 22.576 0.000000       22.57585 
1 1 1 -10 8  24 o 443.865 21.114 42.266  3.9689 0.0000  0.0000  42.266  3.9689 ?       ?      443.865 21.114 0.000000       21.11403 
1 1 1 -10 8  25 o 281.895 21.306 17.174  2.5247 0.0000  0.0000  17.174  2.5247 ?       ?      281.895 21.306 0.000000       21.30587 
1 1 1 -10 8  26 o 280.032 21.151 16.998  2.4898 0.0000  0.0000  16.998  2.4898 ?       ?      280.032 21.151 0.000000       21.15068 
1 1 1 -10 8  27 o 357.987 21.212 27.820  3.2015 0.0000  0.0000  27.820  3.2015 ?       ?      357.987 21.212 0.000000       21.21219 
1 1 1 -10 8  28 o 310.573 22.278 21.061  2.9106 0.0000  0.0000  21.061  2.9106 ?       ?      310.573 22.278 0.000000       22.27753 
1 1 1 -10 8  29 o 261.441 23.948 15.106  2.6220 0.0000  0.0000  15.106  2.6220 ?       ?      261.441 23.948 0.000000       23.94788 
1 1 1 -10 8  30 o 143.397 30.577 4.7941  1.8002 0.0000  0.0000  4.7941  1.8002 ?       ?      143.397 30.577 0.000000       30.57700 
1 1 1 -10 9  1  o 543.498 21.936 62.772  5.0489 56.655  6.9278  69.701  7.3735 514.338 31.964 570.944 30.607 -56.60590      44.25482 
1 1 1 -10 9  2  o 324.165 18.410 22.378  2.5169 19.885  4.1328  23.848  3.1733 303.541 32.664 334.217 22.552 -30.67609      39.69327 
1 1 1 -10 9  3  o 798.140 18.289 135.220 6.1819 131.645 10.265  137.254 7.7438 785.742 30.847 803.580 22.755 -17.83813      38.33216 
1 1 1 -10 9  4  f 616.696 17.573 80.713  4.5895 74.918  7.4956  84.189  5.8048 592.112 29.990 629.451 21.776 -37.33881      37.06226 
1 1 1 -10 9  5  o 671.090 17.503 95.579  4.9745 87.808  8.1314  100.227 6.2885 641.829 29.916 686.803 21.621 -44.97382      36.91090 
1 1 1 -10 9  6  f 782.493 21.434 130.100 7.1029 135.876 9.6341  123.221 10.513 798.620 28.486 759.792 32.674 38.82758       43.34787 
1 1 1 -10 9  7  o 849.738 17.922 153.269 6.4493 163.130 10.487  147.271 8.1787 875.043 28.300 832.253 23.205 42.78973       36.59723 
1 1 1 -10 9  8  o 330.197 21.674 23.270  3.0139 0.0000  0.0000  23.270  3.0139 ?       ?      330.197 21.674 0.000000       21.67372 
1 1 1 -10 9  9  o 564.737 16.503 67.680  3.9468 66.361  6.2482  68.557  5.0912 558.242 26.429 567.977 21.166 -9.734924      33.86038 
1 1 1 -10 9  10 o 322.093 19.939 22.124  2.7064 24.525  3.5913  18.968  4.1174 338.501 25.233 296.087 33.421 42.41388       41.87727 
1 1 1 -10 9  11 o 350.874 16.098 26.128  2.3920 28.734  3.7413  24.326  3.1109 366.643 24.232 337.534 21.882 29.10910       32.64969 
1 1 1 -10 9  12 o 586.032 15.890 72.891  3.9436 76.701  6.1392  70.215  5.1457 600.230 24.152 574.654 21.144 25.57660       32.09961 
1 1 1 -10 9  13 o 420.883 17.572 37.624  3.1319 40.329  4.0825  33.755  4.8826 434.789 22.246 396.530 29.283 38.25909       36.77492 
1 1 1 -10 9  14 o 746.519 15.674 118.310 4.9552 122.731 7.4361  114.779 6.6457 759.183 23.129 734.479 21.366 24.70459       31.48715 
1 1 1 -10 9  15 o 216.111 12.941 9.9432  1.1789 7.8777  2.0075  11.030  1.4565 190.531 25.521 227.439 15.209 -36.90845      29.70934 
1 1 1 -10 9  16 o 484.588 13.283 49.827  2.7259 49.428  4.2367  50.109  3.5609 481.918 20.759 485.603 17.315 -3.685822      27.03264 
1 1 1 -10 9  17 o 610.279 12.948 79.026  3.3463 81.196  5.5942  77.816  4.1758 617.500 21.392 605.226 16.292 12.27332       26.88981 
1 1 1 -10 9  18 f 351.273 16.162 26.216  2.4043 26.749  3.1621  25.486  3.7018 353.772 21.204 344.556 25.552 9.216339       33.20369 
1 1 1 -10 9  19 o 462.506 16.792 45.475  3.2889 45.255  4.4724  45.735  4.8534 460.596 22.928 462.076 24.894 -1.479462      33.84413 
1 1 1 -10 9  20 o 358.707 24.259 27.630  3.6635 0.0000  0.0000  27.630  3.6635 ?       ?      358.707 24.259 0.000000       24.25875 
1 1 1 -10 9  21 f 369.524 18.834 29.189  2.9375 56.022  4.8040  13.164  3.7125 511.902 22.160 243.496 37.181 268.4063       43.28404 
1 1 1 -10 9  22 o 341.032 22.595 25.024  3.2447 0.0000  0.0000  25.024  3.2447 ?       ?      341.032 22.595 0.000000       22.59475 
1 1 1 -10 9  23 o 104.747 28.702 2.4504  1.3109 0.0000  0.0000  2.4504  1.3109 ?       ?      104.747 28.702 0.000000       28.70222 
1 1 1 -10 9  24 o 204.535 22.990 9.1066  1.9569 0.0000  0.0000  9.1066  1.9569 ?       ?      204.535 22.990 0.000000       22.99031 
1 1 1 -10 9  25 o 250.091 21.844 13.558  2.2903 0.0000  0.0000  13.558  2.2903 ?       ?      250.091 21.844 0.000000       21.84354 
1 1 1 -10 9  26 o 253.186 21.843 13.942  2.3191 0.0000  0.0000  13.942  2.3191 ?       ?      253.186 21.843 0.000000       21.84269 
1 1 1 -10 9  27 o 381.549 21.431 31.618  3.4489 0.0000  0.0000  31.618  3.4489 ?       ?      381.549 21.431 0.000000       21.43116 
1 1 1 -10 9  28 o 267.319 23.089 15.673  2.5882 0.0000  0.0000  15.673  2.5882 ?       ?      267.319 23.089 0.000000       23.08920 
1 1 1 -10 9  29 o 281.714 23.713 17.524  2.8027 0.0000  0.0000  17.524  2.8027 ?       ?      281.714 23.713 0.000000       23.71257 
1 1 1 -10 9  30 o 220.945 17.214 10.617  1.5979 11.433  2.0630  9.3934  2.5264 227.621 21.663 202.177 30.452 25.44359       37.37104 
1 1 1 -10 10 1  o 617.501 21.884 81.035  5.7228 86.395  7.9305  75.212  8.2665 636.661 29.414 592.615 33.071 44.04639       44.25879 
1 1 1 -10 10 2  f 208.371 20.495 9.3112  1.7851 5.9501  2.8498  11.482  2.2901 163.440 41.188 231.169 23.729 -67.72891      47.53469 
1 1 1 -10 10 3  o 677.681 17.720 97.475  5.0854 94.134  8.3774  99.425  6.3994 664.532 29.768 683.977 22.093 -19.44446      37.07061 
1 1 1 -10 10 4  o 647.885 17.522 89.088  4.8076 89.095  7.8939  89.083  6.0614 646.635 28.826 647.426 22.107 -0.7916260     36.32751 
1 1 1 -10 10 5  o 1075.11 19.066 245.427 8.6806 244.206 14.344  246.133 10.904 1069.84 31.661 1075.80 23.933 -5.961060      39.68875 
1 1 1 -10 10 6  o 601.607 20.574 76.888  5.2417 77.444  7.0958  76.220  7.7768 602.969 27.788 596.993 30.866 5.975952       41.53149 
1 1 1 -10 10 7  o 723.499 17.278 111.099 5.2940 115.587 8.5555  108.314 6.7391 736.657 27.424 713.817 22.293 22.84015       35.34227 
1 1 1 -10 10 8  f 172.759 19.048 6.4145  1.3704 7.7525  2.2999  5.6780  1.7064 188.412 29.817 161.335 25.848 27.07710       39.46138 
1 1 1 -10 10 9  o 535.295 21.077 60.897  4.7779 0.0000  0.0000  60.897  4.7779 ?       ?      535.295 21.077 0.000000       21.07661 
1 1 1 -10 10 10 o 662.701 20.039 93.316  5.6240 100.880 7.4262  83.143  8.6119 688.305 25.477 622.897 32.762 65.40771       41.50166 
1 1 1 -10 10 11 o 290.903 19.596 18.062  2.4001 19.662  3.1599  15.880  3.6898 302.878 24.855 270.599 32.874 32.27847       41.21198 
1 1 1 -10 10 12 o 321.467 15.697 21.934  2.1369 24.979  3.3198  19.779  2.7923 341.827 23.068 304.163 21.823 37.66367       31.75496 
1 1 1 -10 10 13 o 758.103 18.493 122.119 5.9370 122.325 7.7866  121.834 9.1759 757.791 24.264 755.372 28.684 2.418762       37.57000 
1 1 1 -10 10 14 o 466.534 14.667 46.195  2.8978 49.589  4.3184  43.414  3.9084 482.766 21.123 451.783 20.428 30.98239       29.38490 
1 1 1 -10 10 15 o 738.117 13.097 115.589 4.0939 118.653 7.1399  114.089 4.9968 746.390 22.588 732.943 16.098 13.44641       27.73779 
1 1 1 -10 10 16 o 595.325 13.603 75.213  3.4296 77.521  5.4160  73.668  4.4313 603.430 21.194 588.714 17.774 14.71533       27.66006 
1 1 1 -10 10 17 o 365.526 12.536 28.347  1.9406 33.615  3.3233  25.621  2.3905 397.468 19.743 347.276 16.254 50.19235       25.57322 
1 1 1 -10 10 18 o 491.607 16.140 51.350  3.3601 47.763  4.4183  56.271  5.1747 473.423 22.038 513.591 23.792 -40.16794      32.43000 
1 1 1 -10 10 19 f 265.381 17.457 15.043  1.9510 15.347  2.6950  14.707  2.8281 267.035 24.090 261.023 25.927 6.012115       35.39169 
1 1 1 -10 10 20 o 325.565 17.597 22.627  2.4171 24.815  3.5071  20.648  3.3360 339.730 24.542 309.496 25.684 30.23468       35.52424 
1 1 1 -10 10 21 o 173.277 23.437 6.5418  1.6757 11.942  3.0055  4.1057  2.0186 233.227 31.212 135.062 35.004 98.16470       46.89875 
1 1 1 -10 10 22 o 207.513 24.579 9.3737  2.1180 0.0000  0.0000  9.3737  2.1180 ?       ?      207.513 24.579 0.000000       24.57897 
1 1 1 -10 10 23 o 225.581 23.061 11.042  2.1721 0.0000  0.0000  11.042  2.1721 ?       ?      225.581 23.061 0.000000       23.06091 
1 1 1 -10 10 24 o 280.128 21.586 16.950  2.5410 0.0000  0.0000  16.950  2.5410 ?       ?      280.128 21.586 0.000000       21.58600 
1 1 1 -10 10 25 o 358.121 21.354 27.691  3.2238 0.0000  0.0000  27.691  3.2238 ?       ?      358.121 21.354 0.000000       21.35362 
1 1 1 -10 10 26 o 182.482 23.745 7.3364  1.7915 0.0000  0.0000  7.3364  1.7915 ?       ?      182.482 23.745 0.000000       23.74485 
1 1 1 -10 10 27 o 425.292 21.570 39.288  3.8721 0.0000  0.0000  39.288  3.8721 ?       ?      425.292 21.570 0.000000       21.56959 
1 1 1 -10 10 28 o 476.153 22.794 49.395  4.5964 0.0000  0.0000  49.395  4.5964 ?       ?      476.153 22.794 0.000000       22.79444 
1 1 1 -10 10 29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 10 30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 11 1  o 1519.96 26.796 491.959 17.249 473.927 23.963  511.345 24.847 1487.59 38.038 1545.24 37.969 -57.64209      53.74532 
1 1 1 -10 11 2  o 1047.96 19.212 233.210 8.5265 231.712 14.204  234.054 10.661 1041.89 32.192 1049.01 23.998 -7.119629      40.15244 
1 1 1 -10 11 3  o 476.083 17.264 48.104  3.4806 49.400  5.6979  47.333  4.3962 480.730 28.110 471.911 21.997 8.818756       35.69425 
1 1 1 -10 11 4  o 830.269 18.007 146.335 6.3314 149.801 10.429  144.312 7.9679 838.291 29.376 823.878 22.837 14.41229       37.20846 
1 1 1 -10 11 5  o 306.384 17.757 19.992  2.2941 22.208  3.7662  18.686  2.8927 321.677 27.924 295.524 23.303 26.15244       36.36960 
1 1 1 -10 11 6  o 705.339 20.647 105.701 6.1673 104.480 8.3186  107.192 9.1902 700.252 28.051 708.862 30.614 -8.610046      41.52217 
1 1 1 -10 11 7  o 517.058 16.560 56.735  3.6261 53.360  5.7937  58.909  4.6492 499.728 27.482 526.529 20.850 -26.80185      34.49656 
1 1 1 -10 11 8  o 998.814 18.079 211.815 7.6473 203.466 12.394  216.948 9.7177 976.629 29.966 1010.05 22.718 -33.42633      37.60431 
1 1 1 -10 11 9  o 1536.93 21.150 502.095 13.766 492.748 22.719  507.517 17.305 1517.37 35.356 1543.54 26.473 -26.17151      44.16853 
1 1 1 -10 11 10 o 1014.89 22.758 219.107 9.7811 0.0000  0.0000  219.107 9.7811 ?       ?      1014.89 22.758 0.000000       22.75763 
1 1 1 -10 11 11 o 471.521 18.958 47.236  3.7857 47.181  4.9148  47.317  5.9363 470.044 24.778 469.809 29.993 0.2346191      38.90378 
1 1 1 -10 11 12 o 1221.69 22.394 317.606 11.586 313.763 15.216  322.909 17.874 1212.02 29.644 1227.73 34.378 -15.71155      45.39375 
1 1 1 -10 11 13 o 917.062 19.049 178.758 7.3982 170.542 9.7502  189.908 11.358 894.335 25.744 943.029 28.441 -48.69360      38.36152 
1 1 1 -10 11 14 o 371.397 13.977 29.271  2.1983 30.386  3.3613  28.437  2.9060 377.302 21.121 365.263 18.851 12.03900       28.31002 
1 1 1 -10 11 15 o 591.057 14.532 74.156  3.6374 74.742  5.3962  73.669  4.9243 592.514 21.505 588.492 19.759 4.022461       29.20420 
1 1 1 -10 11 16 f 384.206 12.965 31.321  2.1096 31.887  3.3750  30.959  2.7026 386.498 20.695 381.716 16.718 4.782013       26.60419 
1 1 1 -10 11 17 o 604.814 12.069 77.600  3.0913 87.499  5.6900  73.455  3.6822 641.037 20.960 588.166 14.783 52.87103       25.64846 
1 1 1 -10 11 18 o 679.448 13.904 98.009  4.0008 115.377 6.5702  87.774  5.0437 735.948 21.081 642.340 18.541 93.60785       28.07459 
1 1 1 -10 11 19 o 594.503 17.034 75.168  4.2885 80.186  5.8669  69.411  6.2844 613.001 22.600 569.609 26.052 43.39233       34.48870 
1 1 1 -10 11 20 o 612.536 17.407 79.880  4.5153 83.980  6.4092  75.839  6.3624 626.490 24.157 595.065 25.247 31.42413       34.94254 
1 1 1 -10 11 21 o 308.098 18.408 20.316  2.3908 22.047  3.9461  19.312  3.0051 318.411 29.603 299.256 23.912 19.15479       38.05439 
1 1 1 -10 11 22 o 250.908 22.926 13.613  2.4091 0.0000  0.0000  13.613  2.4091 ?       ?      250.908 22.926 0.000000       22.92615 
1 1 1 -10 11 23 o 811.144 24.195 141.639 8.3113 0.0000  0.0000  141.639 8.3113 ?       ?      811.144 24.195 0.000000       24.19523 
1 1 1 -10 11 24 o 583.562 22.049 73.222  5.4489 0.0000  0.0000  73.222  5.4489 ?       ?      583.562 22.049 0.000000       22.04851 
1 1 1 -10 11 25 o 314.461 21.276 21.382  2.8167 0.0000  0.0000  21.382  2.8167 ?       ?      314.461 21.276 0.000000       21.27644 
1 1 1 -10 11 26 o 105.401 30.430 2.5110  1.4340 0.0000  0.0000  2.5110  1.4340 ?       ?      105.401 30.430 0.000000       30.43020 
1 1 1 -10 11 27 o 219.624 25.188 10.668  2.3004 0.0000  0.0000  10.668  2.3004 ?       ?      219.624 25.188 0.000000       25.18835 
1 1 1 -10 11 28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 11 29 o 55.546  21.385 0.4636  0.7096 0.4636  0.7096  0.0000  0.0000 55.546  21.385 ?       ?      0.000000       21.38470 
1 1 1 -10 11 30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 12 1  o 565.004 17.652 67.767  4.2236 68.014  7.0005  67.626  5.2962 564.009 29.411 564.003 22.174 0.6652832E-02  36.83302 
1 1 1 -10 12 2  o 937.324 22.470 186.792 8.9194 163.317 12.162  214.108 13.120 874.436 32.843 1001.71 30.927 -127.2712      45.11292 
1 1 1 -10 12 3  o 329.485 17.737 23.111  2.4658 24.719  4.0768  22.184  3.0963 339.375 28.633 322.206 22.840 17.16873       36.62653 
1 1 1 -10 12 4  o 823.268 17.871 143.882 6.2308 136.260 10.202  148.417 7.8690 799.286 30.139 835.555 22.238 -36.26929      37.45532 
1 1 1 -10 12 5  o 174.965 20.218 6.5895  1.4705 4.7844  2.3571  7.7395  1.8815 146.722 37.725 189.250 24.016 -42.52774      44.72113 
1 1 1 -10 12 6  o 891.307 21.435 168.849 8.0908 171.204 10.953  166.021 12.003 896.138 28.862 881.751 32.144 14.38727       43.20005 
1 1 1 -10 12 7  o 342.050 16.751 24.832  2.4265 23.532  3.8907  25.659  3.1042 331.121 28.008 346.814 21.237 -15.69257      35.14972 
1 1 1 -10 12 8  o 1137.20 18.767 274.665 9.0382 272.006 14.778  276.253 11.424 1128.78 30.915 1139.47 23.674 -10.69836      38.93797 
1 1 1 -10 12 9  o 464.620 15.953 45.813  3.1389 36.692  4.9515  51.942  4.0587 413.837 28.425 494.456 19.383 -80.61847      34.40473 
1 1 1 -10 12 10 o 602.023 28.512 77.321  7.2691 0.0000  0.0000  77.321  7.2691 ?       ?      602.023 28.512 0.000000       28.51164 
1 1 1 -10 12 11 o 1056.79 31.232 238.722 13.978 0.0000  0.0000  238.722 13.978 ?       ?      1056.79 31.232 0.000000       31.23190 
1 1 1 -10 12 12 o 927.795 19.552 182.987 7.6822 180.198 10.239  186.579 11.620 919.242 26.303 934.565 29.359 -15.32343      39.41799 
1 1 1 -10 12 13 o 489.274 22.382 50.965  4.6377 50.965  4.6377  0.0000  0.0000 489.274 22.382 ?       ?      0.000000       22.38246 
1 1 1 -10 12 14 o 598.568 16.543 76.102  4.1935 72.313  5.5357  81.204  6.4238 582.715 22.432 617.146 24.579 -34.43115      33.27658 
1 1 1 -10 12 15 o 1129.99 16.195 271.226 7.7500 269.676 12.689  272.148 9.7876 1123.73 26.664 1130.85 20.437 -7.118408      33.59558 
1 1 1 -10 12 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 12 17 o 198.058 13.732 8.3662  1.1447 7.1942  2.0789  8.8761  1.3713 181.353 27.968 203.777 16.019 -22.42381      32.23099 
1 1 1 -10 12 18 o 905.209 18.173 174.308 6.9664 161.021 9.3130  191.188 10.497 868.140 25.331 945.674 26.210 -77.53333      36.45072 
1 1 1 -10 12 19 o 717.563 14.709 109.403 4.4697 128.593 7.3887  98.328  5.6132 776.171 22.479 679.386 19.510 96.78424       29.76426 
1 1 1 -10 12 20 o 884.603 18.683 166.792 6.9990 174.521 9.9093  159.098 9.8869 902.122 25.938 860.831 27.121 41.29059       37.52742 
1 1 1 -10 12 21 o 252.689 19.372 13.712  2.0572 14.364  3.5096  13.371  2.5392 255.322 33.247 248.478 24.447 6.844009       41.26743 
1 1 1 -10 12 22 o 258.654 23.478 14.481  2.5437 0.0000  0.0000  14.481  2.5437 ?       ?      258.654 23.478 0.000000       23.47840 
1 1 1 -10 12 23 o 477.885 21.950 49.041  4.4423 0.0000  0.0000  49.041  4.4423 ?       ?      477.885 21.950 0.000000       21.95049 
1 1 1 -10 12 24 o 430.666 21.973 39.993  3.9941 0.0000  0.0000  39.993  3.9941 ?       ?      430.666 21.973 0.000000       21.97251 
1 1 1 -10 12 25 o 354.573 22.110 27.225  3.3034 0.0000  0.0000  27.225  3.3034 ?       ?      354.573 22.110 0.000000       22.10985 
1 1 1 -10 12 26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 12 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 12 28 o 366.199 21.275 29.252  3.2851 29.252  3.2851  0.0000  0.0000 366.199 21.275 ?       ?      0.000000       21.27491 
1 1 1 -10 12 29 o 217.128 20.951 10.376  1.9025 10.376  1.9025  0.0000  0.0000 217.128 20.951 ?       ?      0.000000       20.95073 
1 1 1 -10 12 30 o 338.691 15.906 24.749  2.2814 26.180  2.9606  22.656  3.5795 345.796 20.306 317.706 26.856 28.08975       33.66899 
1 1 1 -10 13 1  o 779.481 22.655 129.215 7.4784 0.0000  0.0000  129.215 7.4784 ?       ?      779.481 22.655 0.000000       22.65474 
1 1 1 -10 13 2  o 1601.16 27.113 546.197 18.384 535.825 25.372  557.664 26.676 1581.28 37.888 1612.58 39.062 -31.29956      54.41827 
1 1 1 -10 13 3  o 371.642 17.553 29.321  2.7626 29.921  4.4887  28.955  3.5052 373.566 28.590 368.324 22.581 5.241425       36.43193 
1 1 1 -10 13 4  o 630.430 17.075 84.361  4.5588 80.565  7.4098  86.673  5.7829 614.759 28.461 638.571 21.384 -23.81232      35.59958 
1 1 1 -10 13 5  o 965.510 18.248 197.942 7.4612 201.720 12.174  195.670 9.4425 972.483 29.560 959.120 23.247 13.36298       37.60643 
1 1 1 -10 13 6  o 468.846 19.814 46.701  3.9342 38.253  5.2748  57.291  5.9061 422.439 29.673 517.861 27.024 -95.42212      40.13461 
1 1 1 -10 13 7  o 225.441 22.175 10.910  2.0897 10.031  2.7976  12.020  3.1429 214.461 31.764 235.033 32.440 -20.57208      45.40159 
1 1 1 -10 13 8  o 1443.13 24.672 443.380 15.078 440.451 20.747  446.659 21.952 1434.82 34.144 1444.11 35.894 -9.295898      49.53945 
1 1 1 -10 13 9  o 813.192 19.994 140.540 6.8856 134.005 9.3290  148.360 10.205 792.704 27.790 833.841 28.900 -41.13678      40.09338 
1 1 1 -10 13 10 o 563.565 18.685 67.478  4.4595 64.487  5.9990  71.172  6.6672 550.104 25.751 577.695 27.252 -27.59045      37.49355 
1 1 1 -10 13 11 o 1168.77 21.512 290.603 10.648 269.572 14.449  315.597 15.752 1123.09 30.380 1215.10 30.611 -92.01147      43.12683 
1 1 1 -10 13 12 o 239.655 29.471 12.453  2.9281 0.0000  0.0000  12.453  2.9281 ?       ?      239.655 29.471 0.000000       29.47127 
1 1 1 -10 13 13 o 595.464 26.710 75.680  6.7354 0.0000  0.0000  75.680  6.7354 ?       ?      595.464 26.710 0.000000       26.70952 
1 1 1 -10 13 14 o 473.027 16.535 47.532  3.3124 52.194  4.4908  41.968  4.9055 495.147 21.416 442.639 26.287 52.50787       33.90672 
1 1 1 -10 13 15 f 514.248 15.643 56.165  3.4066 56.449  4.7767  55.871  4.8598 514.804 21.910 512.091 22.409 2.713196       31.34049 
1 1 1 -10 13 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 13 17 o 159.900 14.830 5.4761  0.9928 5.3628  1.8261  5.5236  1.1829 155.894 28.718 160.207 17.733 -4.312515      33.75180 
1 1 1 -10 13 18 o 755.279 13.899 121.130 4.4457 112.696 7.4194  125.855 5.5530 726.455 24.117 769.323 17.044 -42.86786      29.53154 
1 1 1 -10 13 19 o 144.726 16.779 4.5152  1.0093 4.3688  1.9346  4.5700  1.1831 139.609 33.205 145.122 19.765 -5.513321      38.64243 
1 1 1 -10 13 20 o 151.113 17.412 4.9278  1.0939 7.0120  2.2201  4.2596  1.2571 177.945 30.561 139.510 22.007 38.43462       37.66058 
1 1 1 -10 13 21 o 306.023 18.844 20.069  2.4303 17.180  3.8438  21.994  3.1369 279.462 33.123 319.424 23.352 -39.96170      40.52684 
1 1 1 -10 13 22 o 351.116 18.589 26.420  2.7543 29.410  4.6862  24.842  3.4044 366.946 30.431 339.121 23.857 27.82422       38.66731 
1 1 1 -10 13 23 o 138.598 32.254 4.3555  1.8576 0.0000  0.0000  4.3555  1.8576 ?       ?      138.598 32.254 0.000000       32.25416 
1 1 1 -10 13 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 13 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 13 26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 13 27 o 156.470 26.204 5.5031  1.6750 5.5031  1.6750  0.0000  0.0000 156.470 26.204 ?       ?      0.000000       26.20429 
1 1 1 -10 13 28 o 151.583 18.417 5.0359  1.1579 5.9268  1.4351  3.3740  1.9601 163.786 21.187 120.194 35.819 43.59200       41.61638 
1 1 1 -10 13 29 o 170.214 17.824 6.3387  1.2658 6.8161  1.5350  5.3240  2.2378 175.492 21.075 149.097 35.876 26.39424       41.60831 
1 1 1 -10 13 30 o 501.108 16.126 54.215  3.4221 56.227  4.5494  51.595  5.1933 506.777 21.198 481.302 25.571 25.47485       33.21493 
1 1 1 -10 14 1  o 753.457 22.542 120.750 7.1929 0.0000  0.0000  120.750 7.1929 ?       ?      753.457 22.542 0.000000       22.54232 
1 1 1 -10 14 2  o 266.146 31.444 15.333  3.4756 15.333  3.4756  0.0000  0.0000 266.146 31.444 ?       ?      0.000000       31.44353 
1 1 1 -10 14 3  o 343.301 29.562 25.326  4.2560 25.326  4.2560  0.0000  0.0000 343.301 29.562 ?       ?      0.000000       29.56225 
1 1 1 -10 14 4  o 894.079 21.632 169.952 8.1907 174.148 11.158  165.048 12.062 903.557 29.159 878.879 32.407 24.67865       43.59443 
1 1 1 -10 14 5  o 1177.52 23.145 294.970 11.542 285.219 15.763  306.237 16.945 1155.37 32.217 1196.77 33.434 -41.39990      46.43031 
1 1 1 -10 14 6  o 963.735 21.611 197.480 8.8203 198.327 12.021  196.491 12.982 964.102 29.443 958.977 31.965 5.125549       43.45867 
1 1 1 -10 14 7  o 530.406 19.558 59.776  4.3932 58.425  5.9358  61.414  6.5330 522.896 26.897 535.768 28.900 -12.87195      39.47964 
1 1 1 -10 14 8  o 346.788 19.638 25.637  2.8722 24.731  3.8485  26.777  4.3152 339.556 26.986 353.043 29.122 -13.48737      39.70275 
1 1 1 -10 14 9  o 674.984 19.320 96.819  5.5225 100.698 7.4987  92.222  8.1634 687.414 25.759 657.228 29.330 30.18567       39.03552 
1 1 1 -10 14 10 o 432.890 18.355 39.814  3.3650 39.987  4.5339  39.603  5.0207 432.518 24.858 429.939 27.723 2.579071       37.23505 
1 1 1 -10 14 11 o 310.250 18.050 20.520  2.3613 19.381  3.1082  22.075  3.6314 300.592 24.633 320.540 27.003 -19.94812      36.55031 
1 1 1 -10 14 12 o 478.684 17.181 48.677  3.4830 45.606  4.5704  52.931  5.3791 462.111 23.431 497.528 25.617 -35.41736      34.71643 
1 1 1 -10 14 13 o 911.787 28.646 177.706 11.061 0.0000  0.0000  177.706 11.061 ?       ?      911.787 28.646 0.000000       28.64596 
1 1 1 -10 14 14 f 536.011 17.471 61.061  3.9658 0.0000  0.0000  61.061  3.9658 ?       ?      536.011 17.471 0.000000       17.47103 
1 1 1 -10 14 15 o 212.694 15.195 9.6555  1.3597 8.9382  2.4585  9.9715  1.6319 202.288 29.572 215.824 18.020 -13.53645      34.62964 
1 1 1 -10 14 16 o 391.039 20.945 32.655  3.4560 0.0000  0.0000  32.655  3.4560 ?       ?      391.039 20.945 0.000000       20.94540 
1 1 1 -10 14 17 o 137.569 37.581 4.2172  2.2515 4.2172  2.2515  0.0000  0.0000 137.569 37.581 ?       ?      0.000000       37.58109 
1 1 1 -10 14 18 o 806.131 16.874 138.206 5.7606 139.550 8.2524  136.928 8.0451 808.207 24.111 800.690 23.726 7.517456       33.82688 
1 1 1 -10 14 19 o 782.041 18.026 130.258 5.9698 138.433 8.3254  121.606 8.5650 804.248 24.444 752.955 26.861 51.29315       36.31790 
1 1 1 -10 14 20 o 288.194 24.795 17.942  2.9966 0.0000  0.0000  17.942  2.9966 ?       ?      288.194 24.795 0.000000       24.79457 
1 1 1 -10 14 21 o 289.053 21.984 18.002  2.6709 26.579  4.1852  12.109  3.4692 349.709 28.507 232.865 36.368 116.8443       46.20972 
1 1 1 -10 14 22 o 96.611  30.255 2.0156  1.3761 3.7401  3.3243  1.6590  1.5117 134.653 47.189 91.618  31.838 43.03488       56.92480 
1 1 1 -10 14 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 14 24 o 508.899 22.295 55.812  4.8048 0.0000  0.0000  55.812  4.8048 ?       ?      508.899 22.295 0.000000       22.29470 
1 1 1 -10 14 25 o 75.912  27.243 1.0850  1.1138 1.1411  1.6134  1.0340  1.5396 84.411  32.307 81.750  31.492 2.660736       45.11658 
1 1 1 -10 14 26 o 93.186  26.554 1.9548  1.0987 2.1867  1.4444  1.6365  1.6927 99.198  30.985 92.269  33.519 6.929810       45.64673 
1 1 1 -10 14 27 o 143.888 20.947 4.5765  1.2390 4.4449  1.5972  4.7752  1.9632 139.660 27.981 143.301 33.027 -3.641586      43.28618 
1 1 1 -10 14 28 o 270.780 16.749 15.866  1.9112 14.520  2.5031  17.748  2.9596 256.426 23.304 282.861 24.963 -26.43494      34.15031 
1 1 1 -10 14 29 o 170.829 18.222 6.3965  1.2979 6.7241  1.5805  5.7182  2.2744 173.912 21.949 154.635 35.484 19.27663       41.72333 
1 1 1 -10 14 30 o 251.558 16.643 13.738  1.7630 14.829  2.2302  11.920  2.8786 259.809 20.435 227.682 30.632 32.12598       36.82248 
1 1 1 -10 15 1  o 569.132 21.061 68.869  5.0761 70.648  6.9758  66.868  7.4004 575.435 28.626 558.540 31.414 16.89508       42.50016 
1 1 1 -10 15 2  o 204.920 35.685 9.2473  2.9843 0.0000  0.0000  9.2473  2.9843 ?       ?      204.920 35.685 0.000000       35.68520 
1 1 1 -10 15 3  o 466.173 28.478 46.525  5.5951 46.525  5.5951  0.0000  0.0000 466.173 28.478 ?       ?      0.000000       28.47752 
1 1 1 -10 15 4  o 496.384 27.180 52.678  5.6920 52.678  5.6920  0.0000  0.0000 496.384 27.180 ?       ?      0.000000       27.18040 
1 1 1 -10 15 5  o 1062.18 22.324 239.986 10.042 237.962 13.737  242.310 14.716 1055.55 30.731 1064.56 32.642 -9.015747      44.83207 
1 1 1 -10 15 6  o 384.197 20.093 31.457  3.2579 31.403  4.4056  31.523  4.8396 382.820 27.355 383.081 30.073 -0.2607117     40.65357 
1 1 1 -10 15 7  o 348.536 19.784 25.900  2.9081 24.127  3.9414  28.019  4.3084 335.165 28.025 361.292 28.388 -26.12646      39.89067 
1 1 1 -10 15 8  o 155.367 25.855 5.2799  1.6414 4.3404  2.1622  6.5575  2.5214 139.697 36.240 171.795 35.817 -32.09866      50.95272 
1 1 1 -10 15 9  o 668.198 19.107 94.890  5.4068 95.171  7.3291  94.555  8.0089 668.159 25.901 665.537 28.416 2.622620       38.44908 
1 1 1 -10 15 10 o 178.226 22.332 6.8655  1.6486 10.267  2.1573  2.0908  2.5558 218.293 23.718 110.973 41.047 107.3206       47.40714 
1 1 1 -10 15 11 o 524.931 17.683 58.547  3.9310 53.399  5.1838  65.513  6.0302 500.544 24.455 554.231 25.692 -53.68674      35.46991 
1 1 1 -10 15 12 o 595.562 17.209 75.359  4.3403 68.189  5.6957  85.289  6.7026 565.653 23.777 632.396 25.027 -66.74335      34.52082 
1 1 1 -10 15 13 o 315.133 18.106 21.180  2.4062 22.222  3.2291  19.878  3.6080 321.998 23.850 303.641 28.388 18.35690       37.07683 
1 1 1 -10 15 14 o 220.334 15.671 10.363  1.4527 12.218  2.4955  9.4114  1.7866 237.986 25.141 209.302 20.417 28.68385       32.38715 
1 1 1 -10 15 15 o 268.301 17.393 15.365  1.9656 0.0000  0.0000  15.365  1.9656 ?       ?      268.301 17.393 0.000000       17.39338 
1 1 1 -10 15 16 o 675.917 16.914 97.110  4.8416 0.0000  0.0000  97.110  4.8416 ?       ?      675.917 16.914 0.000000       16.91431 
1 1 1 -10 15 17 o 267.975 16.238 15.319  1.8341 0.0000  0.0000  15.319  1.8341 ?       ?      267.975 16.238 0.000000       16.23846 
1 1 1 -10 15 18 o 485.990 24.993 50.652  5.1265 0.0000  0.0000  50.652  5.1265 ?       ?      485.990 24.993 0.000000       24.99304 
1 1 1 -10 15 19 o 293.829 25.014 18.630  3.0830 0.0000  0.0000  18.630  3.0830 ?       ?      293.829 25.014 0.000000       25.01409 
1 1 1 -10 15 20 o 1022.07 20.113 223.215 8.7055 0.0000  0.0000  223.215 8.7055 ?       ?      1022.07 20.113 0.000000       20.11262 
1 1 1 -10 15 21 o 343.390 17.706 25.237  2.5661 0.0000  0.0000  25.237  2.5661 ?       ?      343.390 17.706 0.000000       17.70628 
1 1 1 -10 15 22 o 329.746 18.381 23.322  2.5565 0.0000  0.0000  23.322  2.5565 ?       ?      329.746 18.381 0.000000       18.38060 
1 1 1 -10 15 23 o 387.673 29.453 32.893  4.7994 0.0000  0.0000  32.893  4.7994 ?       ?      387.673 29.453 0.000000       29.45333 
1 1 1 -10 15 24 o 354.342 18.799 27.013  2.8109 0.0000  0.0000  27.013  2.8109 ?       ?      354.342 18.799 0.000000       18.79897 
1 1 1 -10 15 25 o 178.787 17.830 6.9321  1.3320 6.6355  2.4141  7.0619  1.5971 169.656 34.769 179.548 21.427 -9.892853      40.84130 
1 1 1 -10 15 26 o 269.410 19.791 15.762  2.2422 18.417  2.9088  11.874  3.5199 289.724 23.921 225.956 38.142 63.76759       45.02293 
1 1 1 -10 15 27 o 425.854 14.224 38.846  2.5652 37.938  4.0857  39.438  3.2959 416.270 23.269 427.520 18.204 -11.25024      29.54413 
1 1 1 -10 15 28 o 151.867 20.154 5.0980  1.2642 5.1466  1.5760  5.0103  2.1171 150.757 25.601 145.288 34.856 5.469757       43.24734 
1 1 1 -10 15 29 o 142.033 21.155 4.5013  1.2336 3.5396  1.4850  6.6427  2.2160 123.182 28.955 168.366 32.253 -45.18349      43.34361 
1 1 1 -10 16 1  o 607.093 21.080 78.379  5.4197 82.478  7.4104  73.664  7.9470 621.719 28.145 586.026 32.144 35.69385       42.72487 
1 1 1 -10 16 2  o 966.297 32.769 199.754 13.410 0.0000  0.0000  199.754 13.410 ?       ?      966.297 32.769 0.000000       32.76928 
1 1 1 -10 16 3  o 315.290 32.105 21.469  4.2269 0.0000  0.0000  21.469  4.2269 ?       ?      315.290 32.105 0.000000       32.10452 
1 1 1 -10 16 4  o 235.234 31.119 12.025  3.0239 12.025  3.0239  0.0000  0.0000 235.234 31.119 ?       ?      0.000000       31.11888 
1 1 1 -10 16 5  o 611.833 27.293 79.832  7.0718 79.832  7.0718  0.0000  0.0000 611.833 27.293 ?       ?      0.000000       27.29300 
1 1 1 -10 16 6  o 200.155 23.996 8.6507  1.9935 6.6434  2.6883  11.103  2.9712 172.656 37.813 225.693 31.981 -53.03735      49.52430 
1 1 1 -10 16 7  o 300.638 20.125 19.300  2.5475 18.288  3.4101  20.579  3.8320 291.441 27.973 309.019 29.646 -17.57855      40.75992 
1 1 1 -10 16 8  o 948.348 20.773 191.277 8.3430 189.391 11.434  193.425 12.201 941.789 28.668 951.307 30.286 -9.517212      41.70177 
1 1 1 -10 16 9  o 533.260 18.691 60.436  4.2209 59.921  5.7410  61.041  6.2272 530.133 25.571 534.063 27.628 -3.930176      37.64549 
1 1 1 -10 16 10 o 231.168 19.875 11.447  1.9268 11.403  2.5622  11.504  2.9232 229.631 26.855 229.921 30.795 -0.2895050     40.85991 
1 1 1 -10 16 11 o 1102.76 20.576 258.742 9.6090 249.845 12.971  269.563 14.305 1081.32 28.326 1122.53 30.092 -41.20642      41.32637 
1 1 1 -10 16 12 o 149.046 20.668 4.8166  1.2695 4.6627  2.0747  4.9087  1.6050 144.535 34.393 149.494 26.312 -4.958496      43.30397 
1 1 1 -10 16 13 o 396.290 14.314 33.338  2.4022 38.753  3.8983  30.023  3.0501 426.029 21.678 375.201 19.261 50.82825       28.99858 
1 1 1 -10 16 14 o 550.004 13.786 64.209  3.2111 70.925  5.2709  60.246  4.0492 577.043 21.569 532.310 17.962 44.73322       28.06899 
1 1 1 -10 16 15 o 1114.21 15.893 263.748 7.4992 266.842 12.540  262.026 9.3567 1117.43 26.500 1109.51 19.913 7.912598       33.14765 
1 1 1 -10 16 16 o 198.912 18.373 8.4880  1.5302 0.0000  0.0000  8.4880  1.5302 ?       ?      198.912 18.373 0.000000       18.37346 
1 1 1 -10 16 17 o 348.747 13.346 25.823  1.9711 27.293  3.6462  25.217  2.3430 356.613 24.288 344.415 16.064 12.19760       29.11953 
1 1 1 -10 16 18 o 407.952 13.069 35.345  2.2578 29.314  4.0924  37.985  2.7071 368.921 26.368 422.694 15.123 -53.77350      30.39687 
1 1 1 -10 16 19 f 302.231 24.126 19.693  3.0622 0.0000  0.0000  19.693  3.0622 ?       ?      302.231 24.126 0.000000       24.12559 
1 1 1 -10 16 20 o 706.985 24.964 107.415 7.4743 0.0000  0.0000  107.415 7.4743 ?       ?      706.985 24.964 0.000000       24.96400 
1 1 1 -10 16 21 o 209.949 23.144 9.5793  2.0236 13.578  3.3939  7.3738  2.5206 247.519 33.216 181.028 34.131 66.49062       47.62559 
1 1 1 -10 16 22 o 283.398 16.444 17.203  1.9650 19.237  4.3977  16.696  2.1965 293.672 36.122 278.700 18.719 14.97205       40.68444 
1 1 1 -10 16 23 o 140.298 22.893 4.3458  1.3132 0.0000  0.0000  4.3458  1.3132 ?       ?      140.298 22.893 0.000000       22.89268 
1 1 1 -10 16 24 o 259.951 16.529 14.521  1.8102 12.037  3.4558  15.461  2.1250 229.900 36.731 267.680 18.867 -37.77983      41.29332 
1 1 1 -10 16 25 o 231.641 16.745 11.573  1.6316 6.7077  2.8523  13.940  1.9892 168.334 40.502 253.804 18.637 -85.46985      44.58445 
1 1 1 -10 16 26 o 343.703 16.876 25.396  2.4564 25.775  3.5566  25.051  3.3967 342.536 24.683 338.055 23.880 4.481018       34.34425 
1 1 1 -10 16 27 o 226.872 17.561 11.163  1.6740 11.868  2.2650  10.315  2.4852 231.902 23.382 214.139 28.082 17.76338       36.54189 
1 1 1 -10 16 28 o 240.244 17.204 12.538  1.7387 12.227  2.2984  12.953  2.6586 234.736 23.434 240.133 26.589 -5.397308      35.44206 
1 1 1 -10 16 29 f 138.226 25.395 4.3604  1.4318 0.0000  0.0000  4.3604  1.4318 ?       ?      138.226 25.395 0.000000       25.39492 
1 1 1 -10 17 1  o 706.251 21.095 106.095 6.3092 103.977 8.6001  108.563 9.2843 697.747 29.105 712.610 30.765 -14.86304      42.35040 
1 1 1 -10 17 2  o 487.552 20.725 50.551  4.2791 48.276  5.8061  53.256  6.3309 474.609 29.027 498.344 30.140 -23.73569      41.84455 
1 1 1 -10 17 3  o 340.069 32.075 24.953  4.5648 0.0000  0.0000  24.953  4.5648 ?       ?      340.069 32.075 0.000000       32.07540 
1 1 1 -10 17 4  o 797.008 30.725 135.783 10.370 0.0000  0.0000  135.783 10.370 ?       ?      797.008 30.725 0.000000       30.72499 
1 1 1 -10 17 5  o 464.357 27.478 46.164  5.3794 46.164  5.3794  0.0000  0.0000 464.357 27.478 ?       ?      0.000000       27.47755 
1 1 1 -10 17 6  o 798.792 20.356 135.683 6.8862 134.692 9.4345  136.814 10.074 794.359 28.045 800.195 29.728 -5.835999      40.86892 
1 1 1 -10 17 7  o 415.937 19.332 36.776  3.4053 31.937  4.5931  42.683  5.0743 385.734 28.315 446.477 26.963 -60.74310      39.09961 
1 1 1 -10 17 8  o 523.303 18.684 58.203  4.1406 58.626  5.6226  57.701  6.1204 524.383 25.319 519.116 27.943 5.267517       37.70770 
1 1 1 -10 17 9  o 708.507 19.011 106.717 5.7042 106.750 7.7332  106.678 8.4481 707.430 25.813 706.684 28.229 0.7459717      38.25107 
1 1 1 -10 17 10 o 260.165 19.106 14.468  2.0904 16.658  2.8098  11.754  3.1282 278.548 24.056 231.992 32.751 46.55608       40.63638 
1 1 1 -10 17 11 o 458.868 17.428 44.746  3.3867 42.052  4.4345  48.515  5.2461 443.552 23.694 476.041 26.122 -32.48947      35.26710 
1 1 1 -10 17 12 o 261.476 16.196 14.579  1.7846 13.653  3.0166  15.077  2.2134 251.036 28.903 265.471 19.831 -14.43553      35.05230 
1 1 1 -10 17 13 o 693.566 14.449 102.127 4.2439 108.091 6.9108  98.516  5.3772 712.104 22.916 680.594 18.656 31.50977       29.55007 
1 1 1 -10 17 14 o 821.903 14.554 143.435 5.0658 146.364 8.3095  141.702 6.3908 828.369 23.687 816.232 18.488 12.13727       30.04816 
1 1 1 -10 17 15 o 510.377 13.499 55.293  2.9176 65.021  4.9829  50.219  3.5990 552.436 21.299 485.985 17.487 66.45160       27.55788 
1 1 1 -10 17 16 o 242.526 17.375 12.573  1.7727 0.0000  0.0000  12.573  1.7727 ?       ?      242.526 17.375 0.000000       17.37480 
1 1 1 -10 17 17 o 306.197 13.703 19.913  1.7769 21.895  3.4471  19.196  2.0737 318.837 25.749 299.994 16.384 18.84326       30.51999 
1 1 1 -10 17 18 o 307.398 13.906 20.082  1.8103 24.148  3.5107  18.609  2.1129 334.839 24.937 295.167 16.974 39.67142       30.16560 
1 1 1 -10 17 19 o 343.024 13.840 25.021  2.0105 22.127  3.7121  26.222  2.3917 319.419 27.716 350.902 16.095 -31.48346      32.05048 
1 1 1 -10 17 20 o 593.394 14.525 74.959  3.6501 75.051  6.6144  74.919  4.3768 590.112 26.468 592.537 17.442 -2.425293      31.69793 
1 1 1 -10 17 21 o 250.150 16.407 13.409  1.7285 9.7434  3.6681  14.455  1.9597 205.521 43.500 259.472 17.945 -53.95079      47.05634 
1 1 1 -10 17 22 o 194.311 25.272 8.2851  2.0304 9.8347  3.9179  7.7161  2.3740 205.021 46.228 185.706 31.299 19.31532       55.82739 
1 1 1 -10 17 23 o 113.318 31.959 2.8982  1.6000 0.2897  3.6147  3.5338  1.7844 105.516 45.232 124.549 33.219 -19.03250      56.11972 
1 1 1 -10 17 24 o 297.058 24.314 19.277  3.0319 0.0000  0.0000  19.277  3.0319 ?       ?      297.058 24.314 0.000000       24.31364 
1 1 1 -10 17 25 o 279.815 24.495 17.203  2.8734 0.0000  0.0000  17.203  2.8734 ?       ?      279.815 24.495 0.000000       24.49471 
1 1 1 -10 17 26 o 446.382 16.726 42.846  3.1618 41.433  4.5950  44.116  4.3575 434.187 25.097 449.389 22.973 -15.20233      34.02394 
1 1 1 -10 17 27 o 409.837 18.698 36.357  3.2453 0.0000  0.0000  36.357  3.2453 ?       ?      409.837 18.698 0.000000       18.69807 
1 1 1 -10 17 28 f 220.547 22.274 10.772  2.0519 0.0000  0.0000  10.772  2.0519 ?       ?      220.547 22.274 0.000000       22.27409 
1 1 1 -10 17 29 o 97.397  21.965 2.1612  0.8844 1.8134  1.2152  2.5529  1.2896 89.858  28.470 104.743 28.371 -14.88571      40.19274 
1 1 1 -10 18 1  o 448.548 21.050 42.803  3.9986 41.132  5.4670  44.724  5.8637 437.723 29.667 456.341 30.517 -18.61826      42.56118 
1 1 1 -10 18 2  o 408.667 20.842 35.616  3.5950 34.408  4.8517  37.088  5.3536 400.353 28.809 415.361 30.652 -15.00757      42.06492 
1 1 1 -10 18 3  o 334.375 20.964 23.876  2.9537 21.119  3.9909  27.215  4.3920 312.844 30.512 355.706 29.420 -42.86176      42.38521 
1 1 1 -10 18 4  o 224.117 36.035 11.041  3.3042 0.0000  0.0000  11.041  3.3042 ?       ?      224.117 36.035 0.000000       36.03452 
1 1 1 -10 18 5  o 1707.15 26.988 621.870 19.511 616.277 27.143  627.850 28.067 1693.18 37.854 1708.36 38.794 -15.18127      54.20279 
1 1 1 -10 18 6  o 282.984 28.103 17.265  3.3234 17.265  3.3234  0.0000  0.0000 282.984 28.103 ?       ?      0.000000       28.10326 
1 1 1 -10 18 7  o 164.626 26.279 5.9229  1.7705 6.9612  2.4047  4.6936  2.6165 177.457 33.218 145.508 40.808 31.94940       52.61929 
1 1 1 -10 18 8  o 304.230 19.806 19.767  2.5378 18.539  3.4113  21.289  3.7979 293.342 27.791 314.332 28.853 -20.99051      40.06033 
1 1 1 -10 18 9  o 478.911 18.254 48.752  3.7021 49.817  4.9962  47.455  5.5131 482.762 24.518 470.513 27.791 12.24860       37.06079 
1 1 1 -10 18 10 o 180.763 21.775 7.0567  1.6334 7.5075  2.1726  6.4706  2.4771 185.294 28.608 170.473 35.466 14.82076       45.56620 
1 1 1 -10 18 11 o 252.429 18.635 13.623  1.9780 12.096  2.6030  15.709  3.0428 236.564 26.434 269.861 26.987 -33.29749      37.77666 
1 1 1 -10 18 12 o 573.779 17.753 69.990  4.3137 75.702  5.7761  62.787  6.4867 595.946 22.887 541.046 28.410 54.90051       36.48163 
1 1 1 -10 18 13 o 954.362 15.580 193.469 6.2969 205.942 10.341  186.119 7.9384 982.253 24.859 935.091 20.046 47.16132       31.93504 
1 1 1 -10 18 14 o 435.683 13.683 40.295  2.5247 40.494  4.1885  40.181  3.1640 435.200 22.806 434.752 17.185 0.4481506      28.55566 
1 1 1 -10 18 15 o 695.862 13.843 102.812 4.0794 114.804 6.8381  96.186  5.0830 733.802 22.005 672.459 17.849 61.34222       28.33358 
1 1 1 -10 18 16 o 1012.38 19.055 218.247 8.1697 0.0000  0.0000  218.247 8.1697 ?       ?      1012.38 19.055 0.000000       19.05538 
1 1 1 -10 18 17 o 322.697 13.639 22.122  1.8639 26.611  3.4895  20.330  2.2048 352.020 23.543 308.619 16.934 43.40054       29.00058 
1 1 1 -10 18 18 o 643.274 13.609 87.954  3.7075 97.842  6.5155  83.219  4.5086 676.173 22.753 625.050 17.033 51.12244       28.42226 
1 1 1 -10 18 19 f 649.777 13.942 89.814  3.8364 87.429  6.6871  90.984  4.6839 637.946 24.752 653.282 16.930 -15.33636      29.98802 
1 1 1 -10 18 20 o 419.599 14.439 37.491  2.5657 38.365  4.8461  37.150  3.0244 420.588 27.357 417.215 17.117 3.372772       32.27053 
1 1 1 -10 18 21 o 177.123 20.836 6.8189  1.5330 0.0000  0.0000  6.8189  1.5330 ?       ?      177.123 20.836 0.000000       20.83574 
1 1 1 -10 18 22 o 289.188 16.449 17.924  2.0062 22.640  4.5362  16.777  2.2368 319.269 34.076 279.178 19.033 40.09122       39.03102 
1 1 1 -10 18 23 f 154.819 20.466 5.2413  1.3089 7.0294  4.0273  5.0301  1.3841 171.684 51.384 151.175 22.288 20.50916       56.00912 
1 1 1 -10 18 24 o 199.822 20.382 8.7005  1.7007 0.0000  0.0000  8.7005  1.7007 ?       ?      199.822 20.382 0.000000       20.38240 
1 1 1 -10 18 25 o 195.157 21.697 8.3593  1.7629 0.0000  0.0000  8.3593  1.7629 ?       ?      195.157 21.697 0.000000       21.69744 
1 1 1 -10 18 26 o 171.213 23.210 6.5038  1.6395 0.0000  0.0000  6.5038  1.6395 ?       ?      171.213 23.210 0.000000       23.21017 
1 1 1 -10 18 27 o 153.533 18.759 5.1795  1.1943 5.1393  1.8351  5.2090  1.5731 148.993 30.120 151.804 25.364 -2.811066      39.37697 
1 1 1 -10 18 28 f 158.091 18.112 5.4895  1.1907 4.6387  1.7602  6.2072  1.6167 140.770 30.415 166.269 23.625 -25.49983      38.51241 
1 1 1 -10 18 29 o 125.989 19.066 3.5280  0.9855 4.5431  1.3752  2.4567  1.4128 141.674 23.763 102.826 30.354 38.84791       38.54924 
1 1 1 -10 19 1  o 95.073  32.982 1.7437  1.6219 1.4261  2.1656  2.1494  2.4479 97.937  37.442 110.383 40.277 -12.44642      54.99222 
1 1 1 -10 19 2  o 308.573 21.992 20.370  2.8551 22.368  3.8715  17.988  4.2273 322.324 28.661 287.396 35.486 34.92819       45.61488 
1 1 1 -10 19 3  o 227.508 23.818 11.147  2.2608 11.864  3.0536  10.276  3.3633 233.350 31.723 215.497 38.254 17.85240       49.69633 
1 1 1 -10 19 4  o 419.614 19.897 37.446  3.5357 35.744  4.8266  39.418  5.1941 408.144 28.095 428.560 28.786 -20.41516      40.22434 
1 1 1 -10 19 5  o 646.497 29.225 89.342  8.0013 0.0000  0.0000  89.342  8.0013 ?       ?      646.497 29.225 0.000000       29.22475 
1 1 1 -10 19 6  o 334.653 20.065 23.906  2.8305 24.029  3.8077  23.754  4.2315 334.409 27.121 331.856 30.449 2.553345       40.77614 
1 1 1 -10 19 7  o 266.876 27.062 15.360  3.0162 15.360  3.0162  0.0000  0.0000 266.876 27.062 ?       ?      0.000000       27.06172 
1 1 1 -10 19 8  o 347.365 25.902 25.890  3.7829 25.890  3.7829  0.0000  0.0000 347.365 25.902 ?       ?      0.000000       25.90199 
1 1 1 -10 19 9  o 164.259 23.002 5.8593  1.5562 6.2731  2.0533  5.3009  2.3853 168.796 29.815 153.932 37.040 14.86314       47.54898 
1 1 1 -10 19 10 o 166.784 22.412 6.0311  1.5429 5.5313  2.0201  6.7310  2.3903 157.979 31.302 174.231 33.613 -16.25197      45.93123 
1 1 1 -10 19 11 o 318.789 15.691 21.586  2.1183 23.374  3.2347  20.244  2.8030 330.306 23.274 307.535 21.660 22.77060       31.79367 
1 1 1 -10 19 12 o 350.226 18.451 26.159  2.7270 28.763  3.7443  23.219  3.9794 366.367 24.271 328.120 28.934 38.24707       37.76568 
1 1 1 -10 19 13 o 167.682 21.195 6.0831  1.4715 10.052  2.4276  3.7783  1.8501 215.143 27.256 130.158 33.398 84.98433       43.10818 
1 1 1 -10 19 14 o 484.068 13.612 49.746  2.7904 51.835  4.7072  48.614  3.4648 493.013 22.545 478.168 17.110 14.84543       28.30270 
1 1 1 -10 19 15 o 261.960 14.729 14.624  1.6274 17.241  3.0070  13.540  1.9353 282.878 25.371 251.582 18.289 31.29550       31.27585 
1 1 1 -10 19 16 o 185.258 19.079 7.3876  1.4755 0.0000  0.0000  7.3876  1.4755 ?       ?      185.258 19.079 0.000000       19.07948 
1 1 1 -10 19 17 o 191.554 16.247 7.8643  1.3055 10.313  2.7654  7.1619  1.4810 216.622 31.032 182.230 19.493 34.39189       36.64588 
1 1 1 -10 19 18 o 505.167 13.337 54.250  2.8533 58.542  5.1537  52.352  3.4263 522.671 23.284 495.770 16.319 26.90109       28.43312 
1 1 1 -10 19 19 o 205.926 16.861 9.1031  1.4576 14.323  2.9115  7.3574  1.6837 256.318 27.240 184.006 22.046 72.31189       35.04313 
1 1 1 -10 19 20 o 196.311 18.067 8.3043  1.4852 11.857  3.3539  7.4378  1.6564 230.099 35.566 184.991 21.547 45.10741       41.58379 
1 1 1 -10 19 21 o 189.179 18.417 7.7297  1.4568 6.5279  3.5089  7.9800  1.6013 167.184 47.389 191.917 19.996 -24.73276      51.43464 
1 1 1 -10 19 22 o 265.417 16.358 15.112  1.8297 22.466  4.2403  13.430  2.0282 318.679 31.846 249.487 19.348 69.19231       37.26259 
1 1 1 -10 19 23 o 183.682 16.614 7.2818  1.2784 6.9032  2.3248  7.4459  1.5306 174.262 32.703 185.025 19.843 -10.76282      38.25187 
1 1 1 -10 19 24 o 365.789 14.916 28.643  2.3107 27.937  4.2184  28.945  2.7619 355.308 28.269 366.878 17.776 -11.57034      33.39344 
1 1 1 -10 19 25 o 182.127 17.854 7.2109  1.3594 7.0389  2.4675  7.2859  1.6288 174.070 34.691 182.023 21.549 -7.952820      40.83883 
1 1 1 -10 19 26 o 155.932 19.147 5.3356  1.2378 9.4153  2.1123  3.2021  1.5276 205.787 24.734 117.548 30.444 88.23938       39.22475 
1 1 1 -10 19 27 o 94.601  23.676 2.0450  0.9462 4.5210  1.4614  0.2574  1.2417 141.029 25.403 64.601  27.045 76.42805       37.10437 
1 1 1 -10 19 28 o 200.551 16.393 8.7503  1.3801 10.291  2.1063  7.5910  1.8269 214.715 23.550 183.871 24.037 30.84325       33.65117 
1 1 1 -10 20 1  o 299.563 22.189 19.213  2.7950 17.510  3.7901  21.243  4.1382 284.144 32.058 313.397 31.611 -29.25320      45.02187 
1 1 1 -10 20 2  o 543.084 20.289 62.748  4.6663 60.264  6.3533  65.658  6.8758 530.289 28.394 553.330 29.448 -23.04059      40.90726 
1 1 1 -10 20 3  o 422.530 20.475 37.986  3.6638 40.434  5.0825  35.338  5.2864 434.191 27.787 405.125 31.049 29.06607       41.66697 
1 1 1 -10 20 4  o 411.105 19.838 35.949  3.4538 30.942  4.7057  41.797  5.0850 379.244 29.533 441.559 27.327 -62.31491      40.23636 
1 1 1 -10 20 5  o 391.385 19.776 32.666  3.2673 34.259  4.4438  30.791  4.8203 399.764 26.398 378.126 30.358 21.63770       40.22977 
1 1 1 -10 20 6  o 410.224 28.292 36.136  4.8849 0.0000  0.0000  36.136  4.8849 ?       ?      410.224 28.292 0.000000       28.29156 
1 1 1 -10 20 7  o 516.989 27.813 57.281  6.0669 0.0000  0.0000  57.281  6.0669 ?       ?      516.989 27.813 0.000000       27.81265 
1 1 1 -10 20 8  o 383.676 25.696 31.560  4.1510 31.560  4.1510  0.0000  0.0000 383.676 25.696 ?       ?      0.000000       25.69594 
1 1 1 -10 20 9  o 227.547 27.108 11.217  2.5608 11.217  2.5608  0.0000  0.0000 227.547 27.108 ?       ?      0.000000       27.10825 
1 1 1 -10 20 10 o 219.542 18.085 10.317  1.6665 6.6547  2.3991  13.732  2.3165 173.116 33.937 252.966 21.838 -79.85080      40.35614 
1 1 1 -10 20 11 o 422.472 15.312 37.909  2.7395 38.182  4.4143  37.738  3.4938 422.228 24.796 421.109 19.591 1.119080       31.60129 
1 1 1 -10 20 12 o 340.597 18.403 24.747  2.6445 27.789  3.5818  21.101  3.9210 360.163 23.614 312.405 30.006 47.75861       38.18391 
1 1 1 -10 20 13 o 530.013 17.502 59.737  3.9285 62.623  5.2436  56.045  5.9311 541.851 22.851 511.054 27.506 30.79745       35.75967 
1 1 1 -10 20 14 o 707.164 14.451 106.218 4.3277 110.906 7.1519  103.509 5.4359 720.793 23.430 697.420 18.405 23.37335       29.79408 
1 1 1 -10 20 15 o 218.126 16.040 10.171  1.4713 12.452  2.7585  9.2636  1.7394 239.477 27.712 207.541 20.039 31.93611       34.19836 
1 1 1 -10 20 16 o 364.234 13.749 28.189  2.1208 34.851  3.8502  25.287  2.5410 403.185 22.641 344.176 17.491 59.00980       28.61020 
1 1 1 -10 20 17 o 82.152  27.692 1.3596  1.1416 2.1676  2.3823  1.1187  1.3007 109.034 39.742 80.064  29.338 28.96923       49.39725 
1 1 1 -10 20 18 o 516.481 13.429 56.729  2.9373 63.650  5.3319  53.714  3.5195 544.768 23.112 502.003 16.555 42.76465       28.42919 
1 1 1 -10 20 19 o 333.696 14.408 23.712  2.0360 24.592  3.8625  23.373  2.3959 336.337 27.354 330.478 17.179 5.858246       32.30116 
1 1 1 -10 20 20 o 313.209 15.397 20.922  2.0423 23.008  4.2941  20.312  2.3216 323.303 31.773 307.720 17.893 15.58246       36.46494 
1 1 1 -10 20 21 o 376.997 15.322 30.330  2.4463 30.258  4.9491  30.354  2.8141 370.579 31.845 376.666 17.641 -6.087128      36.40513 
1 1 1 -10 20 22 o 120.518 20.937 3.2118  1.0298 2.2998  2.0686  3.5124  1.1874 106.385 37.227 125.651 23.168 -19.26620      43.84804 
1 1 1 -10 20 23 o 148.453 21.395 4.8529  1.3062 5.2585  3.9644  4.8035  1.3835 151.229 51.601 147.280 22.928 3.948776       56.46564 
1 1 1 -10 20 24 o 394.890 15.024 33.410  2.5125 35.847  4.5773  32.359  3.0057 403.034 26.974 387.530 18.315 15.50421       32.60372 
1 1 1 -10 20 25 o 130.942 20.737 3.8032  1.1116 3.6877  2.0674  3.8502  1.3184 125.614 36.616 130.628 24.738 -5.013756      44.18982 
1 1 1 -10 20 26 o 266.573 15.938 15.345  1.7910 13.419  3.0030  16.408  2.2314 243.403 29.752 274.460 19.321 -31.05629      35.47502 
1 1 1 -10 20 27 o 218.430 16.522 10.365  1.5171 12.004  2.3585  9.2078  1.9814 231.872 24.383 203.195 23.457 28.67700       33.83444 
1 1 1 -10 20 28 o 314.948 20.076 21.763  2.6638 0.0000  0.0000  21.763  2.6638 ?       ?      314.948 20.076 0.000000       20.07613 
1 1 1 -10 21 1  o 368.884 21.014 29.058  3.2692 31.034  4.4582  26.759  4.8083 380.078 27.893 351.810 32.645 28.26776       42.93818 
1 1 1 -10 21 2  o 1086.23 22.522 251.356 10.360 244.109 14.270  259.435 15.066 1067.35 31.570 1100.03 32.340 -32.67700      45.19431 
1 1 1 -10 21 3  o 814.170 20.743 141.086 7.1520 140.622 9.8284  141.608 10.427 810.948 28.618 813.315 30.274 -2.367371      41.65937 
1 1 1 -10 21 4  o 660.942 20.011 92.947  5.6013 92.118  7.7087  93.875  8.1527 656.534 27.726 662.466 29.060 -5.931824      40.16446 
1 1 1 -10 21 5  o 499.652 19.457 53.107  4.1171 50.296  5.5920  56.433  6.0842 484.414 27.371 513.038 28.110 -28.62427      39.23439 
1 1 1 -10 21 6  o 795.345 19.946 134.602 6.7182 126.667 9.1779  143.761 9.8607 769.683 28.157 819.906 28.399 -50.22290      39.99145 
1 1 1 -10 21 7  o 466.144 28.376 46.641  5.5750 0.0000  0.0000  46.641  5.5750 ?       ?      466.144 28.376 0.000000       28.37599 
1 1 1 -10 21 8  o 1128.67 31.365 273.123 14.992 0.0000  0.0000  273.123 14.992 ?       ?      1128.67 31.365 0.000000       31.36526 
1 1 1 -10 21 9  o 242.725 22.686 12.666  2.3049 11.612  2.7145  15.389  4.3636 231.307 28.302 263.992 40.309 -32.68503      49.25248 
1 1 1 -10 21 10 o 515.888 18.136 56.599  3.9621 52.872  5.0116  62.812  6.4704 497.837 23.771 541.064 28.337 -43.22714      36.98694 
1 1 1 -10 21 11 o 132.645 35.045 3.9228  1.9981 4.2774  2.5700  3.3809  3.1771 139.276 40.890 131.599 46.132 7.677032       61.64508 
1 1 1 -10 21 12 o 424.188 17.696 38.268  3.1789 34.064  4.2796  43.442  4.7481 398.485 25.494 450.302 24.997 -51.81778      35.70391 
1 1 1 -10 21 13 o 164.855 21.022 5.8841  1.4343 5.6585  2.4003  6.0094  1.7887 158.846 36.454 165.627 26.387 -6.780716      45.00149 
1 1 1 -10 21 14 o 810.232 18.106 139.731 6.2125 133.816 8.3112  147.222 9.3523 791.094 24.808 829.164 26.634 -38.06903      36.39769 
1 1 1 -10 21 15 o 155.524 21.067 5.2538  1.3518 6.0607  2.4966  4.9192  1.6079 164.104 36.829 149.364 26.384 14.74007       45.30434 
1 1 1 -10 21 16 o 467.379 13.434 46.422  2.6590 45.984  4.6667  46.633  3.2357 462.763 23.894 468.033 16.325 -5.270020      28.93817 
1 1 1 -10 21 17 o 502.844 16.003 53.855  3.4077 58.870  5.1559  49.965  4.5410 524.043 23.232 483.038 22.199 41.00519       32.13287 
1 1 1 -10 21 18 o 466.810 13.387 46.357  2.6465 36.507  4.7685  50.741  3.1814 410.311 27.603 488.022 15.394 -77.71048      31.60535 
1 1 1 -10 21 19 o 176.789 18.180 6.7500  1.3417 6.2770  2.8512  6.8846  1.5207 165.051 40.979 178.087 20.539 -13.03596      45.83869 
1 1 1 -10 21 20 o 215.341 17.377 9.9767  1.5712 7.8545  3.4924  10.515  1.7593 183.226 45.272 220.779 19.001 -37.55374      49.09784 
1 1 1 -10 21 21 o 166.337 20.853 6.0367  1.4367 10.884  3.5686  5.0991  1.5695 217.669 40.193 151.567 25.347 66.10239       47.51802 
1 1 1 -10 21 22 o 356.928 13.761 27.182  2.0801 22.924  3.4218  29.678  2.6197 324.022 25.134 372.309 16.615 -48.28732      30.12906 
1 1 1 -10 21 23 o 291.254 14.422 18.143  1.7789 22.624  2.9603  15.611  2.2256 322.489 21.804 268.321 19.724 54.16763       29.40154 
1 1 1 -10 21 24 o 467.379 16.033 46.909  3.1735 55.168  7.3234  44.999  3.5212 492.775 35.327 456.849 18.200 35.92654       39.74016 
1 1 1 -10 21 25 o 185.926 17.529 7.5156  1.3639 8.5999  2.4689  7.0393  1.6363 194.020 31.098 178.513 22.118 15.50743       38.16084 
1 1 1 -10 21 26 o 165.330 19.019 6.0038  1.3074 9.0740  2.2754  4.4907  1.5974 200.260 27.560 139.734 27.970 60.52560       39.26653 
1 1 1 -10 21 27 o 275.265 19.681 16.608  2.2792 20.030  2.9385  11.442  3.6109 300.441 23.277 216.259 40.926 84.18204       47.08214 
1 1 1 -10 21 28 o 193.009 20.880 8.2536  1.6795 9.7084  2.1275  5.8479  2.7359 207.777 24.660 153.016 41.272 54.76126       48.07802 
1 1 1 -10 22 1  o 722.231 20.783 111.038 6.3567 102.110 8.6715  121.409 9.3457 690.695 29.646 753.238 29.298 -62.54266      41.68015 
1 1 1 -10 22 2  o 348.190 21.051 25.904  3.0894 25.751  4.2117  26.084  4.5455 345.751 29.033 347.540 31.217 -1.788544      42.63137 
1 1 1 -10 22 3  o 499.533 19.875 53.097  4.2044 49.536  5.7513  57.184  6.1619 480.460 28.392 516.362 28.286 -35.90228      40.07757 
1 1 1 -10 22 4  o 573.533 19.647 69.988  4.7719 70.057  6.5431  69.910  6.9747 572.594 26.983 570.900 28.943 1.694397       39.56996 
1 1 1 -10 22 5  o 944.534 20.908 189.951 8.3634 175.879 11.479  205.874 12.210 906.272 29.909 980.696 29.400 -74.42371      41.93913 
1 1 1 -10 22 6  o 432.786 19.314 39.850  3.5399 37.708  4.7943  42.418  5.2489 419.170 27.154 444.494 28.028 -25.32437      39.02405 
1 1 1 -10 22 7  o 604.065 18.754 77.617  4.7975 76.652  6.5234  78.753  7.0803 599.106 25.711 606.879 27.549 -7.773621      37.68314 
1 1 1 -10 22 8  o 406.077 27.299 35.413  4.6672 0.0000  0.0000  35.413  4.6672 ?       ?      406.077 27.299 0.000000       27.29851 
1 1 1 -10 22 9  o 670.969 20.096 95.843  5.7104 0.0000  0.0000  95.843  5.7104 ?       ?      670.969 20.096 0.000000       20.09641 
1 1 1 -10 22 10 o 468.420 20.136 46.719  3.9943 0.0000  0.0000  46.719  3.9943 ?       ?      468.420 20.136 0.000000       20.13557 
1 1 1 -10 22 11 o 158.239 31.995 5.5664  2.0704 7.7211  2.6758  2.3519  3.2682 186.405 35.186 121.445 46.100 64.96019       57.99355 
1 1 1 -10 22 12 o 489.052 23.661 51.065  4.9003 51.065  4.9003  0.0000  0.0000 489.052 23.661 ?       ?      0.000000       23.66068 
1 1 1 -10 22 13 o 165.206 30.244 6.0397  2.0380 5.1406  2.6481  7.3460  3.1918 151.238 40.525 180.211 42.511 -28.97260      58.73231 
1 1 1 -10 22 14 o 377.170 26.255 30.626  4.1675 0.0000  0.0000  30.626  4.1675 ?       ?      377.170 26.255 0.000000       26.25464 
1 1 1 -10 22 15 o 276.911 18.673 16.420  2.1770 12.618  3.0985  20.127  3.0595 239.935 31.234 305.716 23.819 -65.78091      39.28001 
1 1 1 -10 22 16 o 357.860 13.922 27.233  2.1099 28.534  3.9224  26.704  2.5029 363.589 25.638 354.032 16.694 9.556885       30.59426 
1 1 1 -10 22 17 o 356.391 16.972 27.089  2.5615 25.129  3.9641  28.494  3.3563 340.160 27.760 364.025 21.873 -23.86462      35.34222 
1 1 1 -10 22 18 f 413.516 13.851 36.402  2.4255 40.404  4.4705  34.733  2.8875 432.537 24.506 403.395 16.902 29.14178       29.76976 
1 1 1 -10 22 19 o 364.849 14.133 28.361  2.1837 30.347  4.0690  27.558  2.5879 373.875 25.858 359.148 17.015 14.72632       30.95413 
1 1 1 -10 22 20 o 143.290 22.152 4.5178  1.3009 10.987  3.1640  3.2019  1.4270 220.884 34.991 119.017 28.656 101.8666       45.22765 
1 1 1 -10 22 21 o 247.725 15.226 13.156  1.5896 14.051  2.7007  12.682  1.9663 253.320 25.522 242.287 19.324 11.03307       32.01269 
1 1 1 -10 22 22 o 209.278 15.607 9.4241  1.3733 6.0772  2.4137  11.026  1.6699 161.927 36.117 225.997 17.587 -64.07002      40.17113 
1 1 1 -10 22 23 f 175.953 17.220 6.7172  1.2667 7.6651  2.4275  6.3626  1.4848 182.968 32.521 170.189 21.051 12.77959       38.73928 
1 1 1 -10 22 24 o 130.149 26.063 3.8451  1.3864 5.1867  2.1208  2.8440  1.8321 148.887 34.337 111.765 34.895 37.12177       48.95613 
1 1 1 -10 22 25 o 175.610 23.031 6.8501  1.6715 7.5847  2.5648  6.3078  2.2038 179.984 34.909 164.681 32.753 15.30299       47.86833 
1 1 1 -10 22 26 o 160.944 22.971 5.7976  1.5213 5.1579  2.2045  6.3790  2.1019 146.620 35.812 165.549 31.123 -18.92882      47.44631 
1 1 1 -10 22 27 f 117.968 22.827 3.1638  1.0992 3.0905  1.7576  3.2108  1.4086 114.184 33.894 117.107 28.640 -2.923386      44.37410 
1 1 1 -10 22 28 o 229.616 16.645 11.476  1.6076 12.027  2.5206  11.099  2.0872 230.571 26.283 223.374 22.364 7.197342       34.51055 
1 1 1 -10 23 1  o 269.258 22.789 15.562  2.5742 12.677  3.4292  19.287  3.8962 240.477 34.675 298.351 31.304 -57.87343      46.71473 
1 1 1 -10 23 2  o 692.045 20.339 101.949 5.9610 103.026 8.2204  100.754 8.6567 694.060 27.967 685.903 29.802 8.157593       40.86971 
1 1 1 -10 23 3  o 580.799 19.758 71.786  4.8597 67.230  6.6270  77.087  7.1480 560.673 27.910 600.324 28.116 -39.65155      39.61679 
1 1 1 -10 23 4  o 174.123 25.719 6.6107  1.8394 2.2897  2.4942  11.762  2.7235 112.450 40.714 232.850 28.193 -120.3998      49.52233 
1 1 1 -10 23 5  o 301.718 20.887 19.477  2.6524 22.099  3.6560  16.563  3.8540 320.390 27.203 275.685 33.713 44.70499       43.31942 
1 1 1 -10 23 6  o 266.389 20.183 15.192  2.2600 14.625  3.0598  15.873  3.3525 259.959 28.248 270.645 29.740 -10.68619      41.01749 
1 1 1 -10 23 7  o 497.683 18.334 52.683  3.8642 46.253  5.1924  60.665  5.7850 464.452 26.509 532.914 25.633 -68.46176      36.87501 
1 1 1 -10 23 8  o 582.034 15.626 71.971  3.8515 65.926  5.9516  76.326  5.0520 555.560 25.297 598.764 19.923 -43.20325      32.20034 
1 1 1 -10 23 9  o 228.982 18.252 11.224  1.7552 12.127  2.5802  10.446  2.3947 236.786 26.168 219.529 26.280 17.25694       37.08687 
1 1 1 -10 23 10 o 573.828 19.696 70.114  4.7863 0.0000  0.0000  70.114  4.7863 ?       ?      573.828 19.696 0.000000       19.69598 
1 1 1 -10 23 11 o 410.256 19.579 35.845  3.4016 0.0000  0.0000  35.845  3.4016 ?       ?      410.256 19.579 0.000000       19.57885 
1 1 1 -10 23 12 o 631.164 18.794 84.830  5.0235 0.0000  0.0000  84.830  5.0235 ?       ?      631.164 18.794 0.000000       18.79421 
1 1 1 -10 23 13 o 580.378 14.374 71.581  3.5329 65.367  5.7345  75.382  4.4852 552.732 24.498 595.021 17.799 -42.28864      30.28184 
1 1 1 -10 23 14 f 139.338 32.857 4.3606  1.9073 4.5817  2.6234  4.1126  2.7779 143.019 41.120 137.198 42.990 5.821152       59.48909 
1 1 1 -10 23 15 o 449.712 24.667 43.513  4.6798 43.513  4.6798  0.0000  0.0000 449.712 24.667 ?       ?      0.000000       24.66655 
1 1 1 -10 23 16 o 825.966 25.171 146.689 8.8044 146.689 8.8044  0.0000  0.0000 825.966 25.171 ?       ?      0.000000       25.17074 
1 1 1 -10 23 17 o 379.692 25.418 31.194  4.0635 31.194  4.0635  0.0000  0.0000 379.692 25.418 ?       ?      0.000000       25.41773 
1 1 1 -10 23 18 o 219.670 18.801 10.400  1.7321 10.313  2.9758  10.444  2.1302 214.676 33.854 219.127 23.313 -4.451172      41.10482 
1 1 1 -10 23 19 f 518.955 17.082 57.575  3.7541 69.617  5.7157  48.439  4.9786 568.128 23.756 472.838 24.951 95.28952       34.45177 
1 1 1 -10 23 20 o 125.242 27.987 3.5426  1.4470 4.3182  2.9988  3.3072  1.6521 138.628 44.810 120.623 31.865 18.00476       54.98508 
1 1 1 -10 23 21 o 330.875 17.039 23.517  2.3795 24.026  3.3025  22.966  3.4314 332.299 23.622 324.255 25.186 8.043732       34.52989 
1 1 1 -10 23 22 o 247.020 18.155 13.194  1.8858 13.578  2.6631  12.808  2.6709 248.075 25.723 240.511 26.672 7.563477       37.05486 
1 1 1 -10 23 23 f 224.931 19.064 11.003  1.7989 11.017  2.5960  10.990  2.4950 221.666 28.301 221.886 27.116 -0.2203979     39.19429 
1 1 1 -10 23 24 o 431.815 16.914 40.157  3.0930 45.001  4.0502  33.381  4.7906 455.039 21.018 386.178 29.516 68.86102       36.23487 
1 1 1 -10 23 25 o 197.212 17.352 8.4641  1.4345 10.477  2.7148  7.6845  1.6896 213.867 30.868 186.371 21.820 27.49579       37.80111 
1 1 1 -10 23 26 o 162.330 18.919 5.8065  1.2762 6.6387  2.2431  5.4082  1.5519 167.852 32.732 154.583 24.524 13.26944       40.89990 
1 1 1 -10 23 27 o 197.841 16.930 8.5436  1.4048 10.607  2.2566  7.2377  1.7950 217.015 25.012 179.138 24.287 37.87724       34.86301 
1 1 1 -10 24 1  o 504.105 20.163 54.108  4.3046 49.592  5.8777  59.332  6.3216 480.343 29.031 525.685 28.503 -45.34125      40.68399 
1 1 1 -10 24 2  f 355.033 20.735 26.935  3.1040 26.514  4.2454  27.420  4.5497 350.746 28.837 356.373 30.438 -5.626984      41.92918 
1 1 1 -10 24 3  o 458.358 20.363 44.735  3.9527 35.411  5.2984  56.437  5.9356 405.156 31.118 512.959 27.423 -107.8032      41.47679 
1 1 1 -10 24 4  o 264.517 22.300 15.019  2.4747 14.137  3.3649  16.058  3.6523 254.740 31.890 271.621 32.390 -16.88097      45.45385 
1 1 1 -10 24 5  o 577.847 19.277 71.062  4.7173 66.878  6.4229  75.963  6.9510 559.193 27.122 595.874 27.545 -36.68066      38.65677 
1 1 1 -10 24 6  o 223.489 22.043 10.748  2.0591 12.436  2.7320  8.5284  3.1330 239.593 27.419 195.307 39.241 44.28583       47.87131 
1 1 1 -10 24 7  o 810.671 19.146 139.874 6.5730 114.658 8.8407  171.042 9.8287 731.680 28.531 894.533 25.945 -162.8527      38.56416 
1 1 1 -10 24 8  f 399.572 15.949 33.931  2.6988 31.188  4.0660  36.091  3.6083 381.208 25.330 411.055 20.796 -29.84677      32.77320 
1 1 1 -10 24 9  o 461.174 15.279 45.190  2.9841 38.968  4.5199  49.998  3.9731 426.269 25.150 484.580 19.361 -58.31171      31.73869 
1 1 1 -10 24 10 o 885.731 15.932 166.770 5.9759 170.387 9.7189  164.571 7.5776 892.490 25.714 878.785 20.361 13.70575       32.79930 
1 1 1 -10 24 11 o 672.313 14.980 96.061  4.2652 97.991  6.8753  94.854  5.4381 677.101 23.977 667.281 19.244 9.819763       30.74439 
1 1 1 -10 24 12 o 493.519 18.742 51.893  3.9171 0.0000  0.0000  51.893  3.9171 ?       ?      493.519 18.742 0.000000       18.74210 
1 1 1 -10 24 13 o 297.730 19.972 18.998  2.5036 0.0000  0.0000  18.998  2.5036 ?       ?      297.730 19.972 0.000000       19.97181 
1 1 1 -10 24 14 o 112.890 30.674 2.8437  1.5046 0.0000  0.0000  2.8437  1.5046 ?       ?      112.890 30.674 0.000000       30.67363 
1 1 1 -10 24 15 o 197.537 20.754 8.4366  1.7102 0.0000  0.0000  8.4366  1.7102 ?       ?      197.537 20.754 0.000000       20.75435 
1 1 1 -10 24 16 o 350.272 17.082 26.181  2.5339 0.0000  0.0000  26.181  2.5339 ?       ?      350.272 17.082 0.000000       17.08231 
1 1 1 -10 24 17 o 454.134 21.950 44.289  4.2214 0.0000  0.0000  44.289  4.2214 ?       ?      454.134 21.950 0.000000       21.94973 
1 1 1 -10 24 18 o 402.559 18.325 34.686  3.1240 34.821  4.3432  34.540  4.4969 400.492 25.744 398.456 26.805 2.035309       37.16557 
1 1 1 -10 24 19 o 348.186 19.269 26.080  2.8302 19.402  4.1119  32.091  3.9013 295.315 33.470 384.718 24.067 -89.40347      41.22423 
1 1 1 -10 24 20 o 81.239  25.849 1.4128  1.0009 1.3293  2.9253  1.4238  1.0652 104.862 42.440 82.080  26.720 22.78167       50.15080 
1 1 1 -10 24 21 o 250.054 17.399 13.482  1.8310 14.064  3.9073  13.318  2.0726 247.226 38.580 247.836 19.916 -0.6098785     43.41733 
1 1 1 -10 24 22 o 136.426 21.220 4.1227  1.1861 0.6290  2.7879  4.8949  1.3107 95.575  40.295 148.843 21.409 -53.26799      45.62963 
1 1 1 -10 24 23 o 152.979 20.472 5.1586  1.2930 12.324  2.6676  2.9581  1.4783 234.835 27.335 113.219 30.254 121.6159       40.77383 
1 1 1 -10 24 24 o 233.946 16.371 11.840  1.6117 11.130  3.1033  12.101  1.8860 219.074 34.598 235.657 19.061 -16.58224      39.50130 
1 1 1 -10 24 25 o 179.022 19.140 7.0410  1.4286 8.5989  2.7174  6.4459  1.6794 190.873 34.903 169.436 24.082 21.43655       42.40504 
1 1 1 -10 24 26 f 261.008 16.034 14.782  1.7637 16.403  3.1143  14.016  2.1400 268.784 27.760 252.360 20.193 16.42456       34.32697 
1 1 1 -10 24 27 o 198.739 17.510 8.6429  1.4587 10.004  2.3134  7.7446  1.8794 209.733 26.648 185.175 24.572 24.55792       36.24763 
1 1 1 -10 25 1  o 670.577 28.121 96.331  7.9859 96.331  7.9859  0.0000  0.0000 670.577 28.121 ?       ?      0.000000       28.12120 
1 1 1 -10 25 2  o 200.611 25.086 8.7296  2.0847 7.2196  2.8230  10.541  3.0916 179.474 38.309 218.703 34.525 -39.22939      51.57055 
1 1 1 -10 25 3  o 611.905 19.782 79.731  5.1262 79.454  7.0479  80.042  7.4696 609.292 27.314 611.166 28.860 -1.873840      39.73632 
1 1 1 -10 25 4  o 402.034 19.587 34.414  3.3348 36.434  4.5454  32.060  4.9077 411.962 26.190 385.420 30.312 26.54163       40.05904 
1 1 1 -10 25 5  o 1310.03 23.135 366.224 12.835 339.840 17.723  395.321 18.612 1256.77 33.300 1356.05 32.409 -99.28003      46.46779 
1 1 1 -10 25 6  o 372.014 19.235 29.542  3.0200 27.200  4.0204  32.573  4.5750 355.535 26.901 389.011 27.957 -33.47598      38.79818 
1 1 1 -10 25 7  o 430.671 18.377 39.473  3.3517 40.861  4.5374  37.807  4.9726 436.623 24.639 419.141 28.178 17.48193       37.43126 
1 1 1 -10 25 8  o 303.049 16.543 19.586  2.1151 15.510  3.1214  23.047  2.8761 267.631 27.953 328.168 20.803 -60.53735      34.84381 
1 1 1 -10 25 9  o 684.763 15.398 99.666  4.4652 94.717  7.0589  102.968 5.7652 665.464 25.048 695.197 19.582 -29.73267      31.79415 
1 1 1 -10 25 10 o 435.152 15.723 40.264  2.8974 43.798  4.6308  37.990  3.7143 451.910 24.286 422.026 20.782 29.88406       31.96421 
1 1 1 -10 25 11 o 350.883 18.607 26.307  2.7550 25.050  3.8063  27.689  3.9927 340.770 26.586 358.389 26.494 -17.61853      37.53349 
1 1 1 -10 25 12 o 240.957 18.180 12.443  1.8415 15.936  3.0031  10.339  2.3312 271.223 26.484 218.090 25.737 53.13240       36.92912 
1 1 1 -10 25 13 o 397.559 14.881 33.628  2.5054 35.073  4.0936  32.763  3.1680 403.768 24.049 391.806 19.093 11.96277       30.70646 
1 1 1 -10 25 14 o 242.975 17.203 12.651  1.7588 11.515  3.1132  13.183  2.1315 228.023 33.215 247.452 20.525 -19.42929      39.04480 
1 1 1 -10 25 15 f 316.256 14.560 21.297  1.9501 17.303  3.6234  22.925  2.3137 280.752 30.992 327.413 16.743 -46.66116      35.22540 
1 1 1 -10 25 16 o 238.118 19.290 12.212  1.9285 0.0000  0.0000  12.212  1.9285 ?       ?      238.118 19.290 0.000000       19.29023 
1 1 1 -10 25 17 o 124.566 32.753 3.5194  1.7507 0.0000  0.0000  3.5194  1.7507 ?       ?      124.566 32.753 0.000000       32.75290 
1 1 1 -10 25 18 o 216.249 19.657 10.113  1.7805 0.0000  0.0000  10.113  1.7805 ?       ?      216.249 19.657 0.000000       19.65720 
1 1 1 -10 25 19 o 272.555 17.854 15.983  2.0494 0.0000  0.0000  15.983  2.0494 ?       ?      272.555 17.854 0.000000       17.85419 
1 1 1 -10 25 20 o 348.613 20.201 26.261  2.9696 25.165  4.6949  26.992  3.8340 335.441 33.498 351.180 25.964 -15.73895      42.38196 
1 1 1 -10 25 21 o 474.272 19.051 48.490  3.8263 48.879  6.2053  48.251  4.8603 468.137 31.483 469.797 24.514 -1.660065      39.90153 
1 1 1 -10 25 22 o 236.016 19.548 12.128  1.9362 8.2902  2.7464  15.920  2.7301 188.626 35.688 268.761 24.248 -80.13449      43.14652 
1 1 1 -10 25 23 o 558.116 15.854 66.966  3.7471 67.521  4.9991  66.255  5.6608 557.134 21.188 549.566 24.323 7.567627       32.25717 
1 1 1 -10 25 24 o 81.037  29.642 1.2499  1.3270 1.0553  1.9049  1.4334  1.8498 86.413  34.501 90.420  34.596 -4.006927      48.85904 
1 1 1 -10 25 25 o 68.785  28.459 0.4163  1.3519 1.5125  2.0380  -0.4452 1.8067 93.051  36.124 68.789  30.652 24.26228       47.37586 
1 1 1 -10 25 26 o 243.582 20.104 13.075  2.0553 13.288  3.0022  12.887  2.8195 239.898 30.222 237.183 28.651 2.715363       41.64431 
1 1 1 -10 26 1  o 606.571 27.853 78.904  7.1547 78.904  7.1547  0.0000  0.0000 606.571 27.853 ?       ?      0.000000       27.85273 
1 1 1 -10 26 2  o 333.744 29.122 24.080  4.0749 24.080  4.0749  0.0000  0.0000 333.744 29.122 ?       ?      0.000000       29.12242 
1 1 1 -10 26 3  o 634.117 19.711 85.667  5.2933 79.553  7.2823  92.516  7.7074 609.114 28.231 657.024 27.700 -47.91003      39.55106 
1 1 1 -10 26 4  o 533.463 19.320 60.613  4.3648 62.921  5.9680  57.960  6.4001 542.239 25.989 518.911 29.243 23.32758       39.12301 
1 1 1 -10 26 5  o 59.765  26.176 -0.2896 1.2645 -1.7208 1.7009  1.4788  1.8907 58.332  27.342 94.436  35.230 -36.10320      44.59553 
1 1 1 -10 26 6  o 486.172 16.078 50.257  3.3102 40.922  5.0597  57.242  4.3769 436.126 27.537 518.283 19.941 -82.15732      33.99873 
1 1 1 -10 26 7  o 289.321 17.849 17.884  2.1762 14.296  3.1045  21.351  3.0515 256.477 29.098 315.351 23.008 -58.87372      37.09534 
1 1 1 -10 26 8  o 229.143 20.098 11.279  1.9306 11.850  2.4944  10.426  3.0487 233.909 25.599 217.245 34.274 16.66362       42.77891 
1 1 1 -10 26 9  o 601.807 15.606 77.023  3.9773 83.815  6.4062  72.763  5.0736 625.880 24.170 584.003 20.514 41.87616       31.70188 
1 1 1 -10 26 10 o 375.086 16.456 29.944  2.6139 24.915  4.1366  33.287  3.3726 339.119 29.085 394.441 20.258 -55.32205      35.44510 
1 1 1 -10 26 11 o 285.743 20.168 17.517  2.4249 17.116  3.3904  17.937  3.4696 280.504 28.958 287.230 28.917 -6.726776      40.92366 
1 1 1 -10 26 12 o 410.927 15.014 35.934  2.6128 37.976  4.2101  34.656  3.3321 420.225 23.755 402.856 19.531 17.36914       30.75309 
1 1 1 -10 26 13 o 467.462 14.436 46.504  2.8579 47.136  4.7024  46.134  3.5987 468.035 23.803 464.895 18.279 3.140320       30.01190 
1 1 1 -10 26 14 o 241.904 17.450 12.554  1.7757 15.167  3.0276  11.183  2.1923 263.667 27.520 227.093 23.118 36.57430       35.94143 
1 1 1 -10 26 15 o 244.188 16.242 12.777  1.6700 12.250  3.3362  12.953  1.9292 234.234 34.680 245.403 18.704 -11.16881      39.40227 
1 1 1 -10 26 16 o 155.459 19.981 5.2634  1.2850 1.8259  2.6917  6.2781  1.4624 107.674 41.595 169.828 20.766 -62.15411      46.49082 
1 1 1 -10 26 17 o 309.797 23.064 20.797  3.0042 0.0000  0.0000  20.797  3.0042 ?       ?      309.797 23.064 0.000000       23.06375 
1 1 1 -10 26 18 o 248.591 15.591 13.252  1.6330 12.758  3.2674  13.417  1.8854 238.670 33.227 249.629 17.955 -10.95863      37.76823 
1 1 1 -10 26 19 o 256.297 15.849 14.103  1.7118 13.191  3.6106  14.368  1.9442 240.862 36.544 258.217 17.889 -17.35446      40.68768 
1 1 1 -10 26 20 o 437.377 14.429 40.904  2.6726 40.694  5.0808  40.984  3.1425 429.672 28.077 436.989 16.981 -7.316589      32.81248 
1 1 1 -10 26 21 o 223.083 18.937 10.816  1.7721 14.384  4.0003  9.9451  1.9767 248.052 39.398 212.795 22.264 35.25699       45.25361 
1 1 1 -10 26 22 o 192.814 19.524 8.1273  1.5723 8.4954  4.0532  8.0621  1.7058 183.396 50.558 191.435 21.408 -8.039093      54.90382 
1 1 1 -10 26 23 o 273.804 15.325 16.163  1.7698 12.942  3.0167  17.853  2.1854 238.560 30.563 286.825 18.084 -48.26520      35.51255 
1 1 1 -10 26 24 o 262.735 15.476 14.925  1.7144 13.717  2.9835  15.520  2.0947 245.443 29.281 266.709 18.664 -21.26595      34.72316 
1 1 1 -10 26 25 o 92.336  26.961 1.9605  1.1200 -2.2056 5.1227  2.1696  1.1478 103.436 48.142 96.782  26.988 6.653496       55.19086 
1 1 1 -10 26 26 o 101.304 24.229 2.3697  1.0255 2.3266  2.1327  2.3826  1.1695 103.712 37.633 101.113 26.858 2.598656       46.23420 
1 1 1 -10 27 1  o 356.931 31.233 27.663  4.6735 0.0000  0.0000  27.663  4.6735 ?       ?      356.931 31.233 0.000000       31.23293 
1 1 1 -10 27 2  o 311.701 29.994 21.090  3.9104 21.090  3.9104  0.0000  0.0000 311.701 29.994 ?       ?      0.000000       29.99418 
1 1 1 -10 27 3  o 395.761 27.927 33.784  4.6506 33.784  4.6506  0.0000  0.0000 395.761 27.927 ?       ?      0.000000       27.92700 
1 1 1 -10 27 4  o 290.620 20.504 18.104  2.5073 18.143  3.4044  18.058  3.7066 289.394 28.134 288.053 30.865 1.341431       41.76338 
1 1 1 -10 27 5  o 378.264 19.145 30.571  3.0569 30.793  4.1592  30.311  4.5081 378.187 26.129 374.580 28.636 3.606995       38.76513 
1 1 1 -10 27 6  o 237.529 19.376 12.106  1.9321 11.441  2.7938  12.716  2.6748 228.852 29.515 242.132 26.519 -13.27948      39.67849 
1 1 1 -10 27 7  o 340.010 16.439 24.602  2.3671 24.105  3.4969  25.022  3.2159 334.598 24.856 341.470 22.362 -6.872040      33.43416 
1 1 1 -10 27 8  o 381.272 15.975 30.932  2.5794 27.442  3.8086  33.890  3.5059 356.931 25.361 397.861 20.881 -40.92950      32.85140 
1 1 1 -10 27 9  o 261.175 20.912 14.662  2.2936 14.732  3.2357  14.592  3.2515 259.791 29.960 258.464 30.280 1.327332       42.59624 
1 1 1 -10 27 10 o 419.923 15.994 37.544  2.8442 33.904  4.5303  39.912  3.6541 396.124 27.170 432.306 19.959 -36.18155      33.71328 
1 1 1 -10 27 11 o 109.451 31.934 2.6481  1.5718 3.0744  2.2614  2.2496  2.1862 119.918 38.928 107.881 38.226 12.03704       54.55796 
1 1 1 -10 27 12 o 154.132 24.213 5.2212  1.5283 3.9617  2.5870  5.8965  1.8942 133.753 41.418 163.004 28.477 -29.25110      50.26286 
1 1 1 -10 27 13 o 192.394 25.499 8.1057  2.0264 0.0000  0.0000  8.1057  2.0264 ?       ?      192.394 25.499 0.000000       25.49943 
1 1 1 -10 27 14 o 355.310 14.927 26.905  2.2461 21.019  3.7090  30.313  2.8224 310.188 28.556 376.653 17.694 -66.46466      33.59371 
1 1 1 -10 27 15 o 120.145 24.778 3.2252  1.2188 5.6836  2.7353  2.6161  1.3615 156.881 40.791 107.893 29.120 48.98753       50.11843 
1 1 1 -10 27 16 o 105.994 26.422 2.5289  1.1819 1.5649  2.5266  2.7989  1.3372 102.662 40.120 111.357 28.297 -8.695450      49.09483 
1 1 1 -10 27 17 o 244.059 24.139 12.996  2.4622 0.0000  0.0000  12.996  2.4622 ?       ?      244.059 24.139 0.000000       24.13879 
1 1 1 -10 27 18 o 424.530 14.068 38.462  2.5292 36.647  4.6621  39.219  3.0108 409.299 27.049 428.028 16.610 -18.72964      31.74175 
1 1 1 -10 27 19 o 133.005 21.142 3.9092  1.1510 3.3833  1.9952  4.1716  1.4091 121.663 36.111 136.391 25.328 -14.72768      44.10831 
1 1 1 -10 27 20 o 138.953 20.618 4.2635  1.1765 5.7933  2.1562  3.6150  1.4038 158.276 33.227 126.020 27.109 32.25610       42.88241 
1 1 1 -10 27 21 o 230.128 16.547 11.450  1.6019 11.378  2.8482  11.484  1.9373 223.880 30.862 229.335 20.151 -5.456009      36.85807 
1 1 1 -10 27 22 o 124.798 24.019 3.5209  1.2234 1.3256  3.6068  3.8063  1.3004 110.034 46.082 129.707 24.574 -19.67337      52.22483 
1 1 1 -10 27 23 o 191.403 20.155 8.0563  1.6091 4.8263  4.3517  8.5679  1.7319 143.445 53.461 197.116 21.073 -53.67085      57.46453 
1 1 1 -10 27 24 o 211.205 19.541 9.8099  1.7280 16.374  5.0801  8.9510  1.8375 252.072 49.355 200.686 21.981 51.38554       54.02819 
1 1 1 -10 27 25 o 191.689 19.877 8.1253  1.5902 3.0376  5.0882  8.6761  1.6740 129.772 54.560 197.984 20.251 -68.21237      58.19729 
1 1 1 -10 27 26 o 147.657 24.783 4.9788  1.4948 0.0000  0.0000  4.9788  1.4948 ?       ?      147.657 24.783 0.000000       24.78341 
1 1 1 -10 28 1  o 684.402 29.679 101.022 8.6021 0.0000  0.0000  101.022 8.6021 ?       ?      684.402 29.679 0.000000       29.67909 
1 1 1 -10 28 2  o 279.158 32.724 17.077  3.7952 0.0000  0.0000  17.077  3.7952 ?       ?      279.158 32.724 0.000000       32.72396 
1 1 1 -10 28 3  o 137.896 32.705 4.2736  1.8810 3.5197  2.8110  4.8849  2.5311 129.697 43.455 147.068 39.710 -17.37151      58.86642 
1 1 1 -10 28 4  o 506.477 26.595 55.230  5.6843 55.230  5.6843  0.0000  0.0000 506.477 26.595 ?       ?      0.000000       26.59470 
1 1 1 -10 28 5  o 276.629 24.250 16.516  2.8122 14.984  3.2502  21.079  5.6094 262.084 29.815 306.679 44.489 -44.59518      53.55527 
1 1 1 -10 28 6  o 550.612 16.005 64.532  3.7320 58.627  5.7396  68.856  4.9121 522.609 25.933 567.834 20.427 -45.22491      33.01216 
1 1 1 -10 28 7  o 170.235 22.229 6.3017  1.5643 6.8115  2.1505  5.7289  2.2795 175.370 30.037 159.533 34.726 15.83771       45.91402 
1 1 1 -10 28 8  o 277.489 18.222 16.492  2.1294 18.933  3.4556  14.997  2.7038 295.259 27.970 263.311 24.529 31.94861       37.20197 
1 1 1 -10 28 9  o 696.313 15.663 103.241 4.6186 105.687 7.4243  101.698 5.8991 701.490 24.991 689.814 20.194 11.67682       32.13003 
1 1 1 -10 28 10 o 62.230  27.523 -0.4311 1.4299 1.3844  2.3338  -1.5222 1.8093 98.888  38.583 62.022  28.780 36.86629       48.13458 
1 1 1 -10 28 11 o 295.512 20.752 18.786  2.5806 22.006  3.6139  15.435  3.6863 318.290 27.068 264.196 33.716 54.09430       43.23681 
1 1 1 -10 28 12 o 324.999 15.997 22.523  2.2017 21.519  3.6938  23.077  2.7420 314.232 28.053 327.770 19.848 -13.53790      34.36399 
1 1 1 -10 28 13 o 394.029 15.147 33.099  2.5275 32.314  4.2012  33.544  3.1641 386.035 25.848 395.932 18.871 -9.896332      32.00314 
1 1 1 -10 28 14 o 273.561 16.574 16.042  1.9110 15.904  3.3179  16.110  2.3378 268.842 29.634 273.307 20.344 -4.465546      35.94521 
1 1 1 -10 28 15 o 114.412 23.700 2.9248  1.1106 2.2334  2.4346  3.1064  1.2479 109.288 40.124 117.604 25.769 -8.315956      47.68602 
1 1 1 -10 28 16 o 537.033 13.890 61.497  3.1589 59.604  5.6705  62.348  3.8037 524.373 25.535 539.923 16.635 -15.54926      30.47588 
1 1 1 -10 28 17 o 271.366 23.449 16.040  2.6683 0.0000  0.0000  16.040  2.6683 ?       ?      271.366 23.449 0.000000       23.44917 
1 1 1 -10 28 18 o 259.921 16.546 14.533  1.8118 20.912  3.5815  12.339  2.1004 307.983 27.758 238.228 21.035 69.75551       34.82763 
1 1 1 -10 28 19 o 247.108 14.733 13.116  1.5348 10.723  2.5879  14.414  1.9062 218.956 28.592 258.349 17.526 -39.39259      33.53605 
1 1 1 -10 28 20 o 340.507 13.915 24.824  2.0066 28.840  3.2976  22.462  2.5286 363.669 21.507 322.003 18.622 41.66559       28.44907 
1 1 1 -10 28 21 o 102.755 26.402 2.4183  1.1551 -0.6948 2.3877  3.3694  1.3198 78.169  35.004 121.387 26.424 -43.21796      43.85822 
1 1 1 -10 28 22 o 61.424  23.476 0.5948  0.8512 -2.7439 2.1107  1.2432  0.9301 59.965  28.773 76.193  24.977 -16.22780      38.10115 
1 1 1 -10 28 23 o 145.862 20.610 4.7330  1.2377 6.4409  2.4366  4.1392  1.4368 163.784 36.102 134.316 26.201 29.46811       44.60724 
1 1 1 -10 28 24 o 230.156 16.537 11.535  1.6011 7.8064  2.8422  13.268  1.9378 178.187 38.767 245.982 18.743 -67.79454      43.06003 
1 1 1 -10 28 25 o 134.928 25.904 4.2024  1.4264 4.4418  4.9682  4.1809  1.4891 138.241 55.533 134.070 27.157 4.171539       61.81750 
1 1 1 -10 29 1  o 77.977  32.832 0.2088  1.8469 -3.9173 2.2671  8.3487  3.1844 58.732  28.573 191.534 40.523 -132.8025      49.58376 
1 1 1 -10 29 2  o 151.483 35.062 5.1882  2.2048 5.7382  2.9291  4.4693  3.3489 158.565 42.678 143.787 47.405 14.77719       63.78609 
1 1 1 -10 29 3  o 244.299 38.336 13.340  3.8356 0.0000  0.0000  13.340  3.8356 ?       ?      244.299 38.336 0.000000       38.33594 
1 1 1 -10 29 4  o 373.837 28.894 30.323  4.5389 0.0000  0.0000  30.323  4.5389 ?       ?      373.837 28.894 0.000000       28.89395 
1 1 1 -10 29 5  o 426.990 21.133 39.000  3.8214 35.884  4.5966  45.973  6.8762 407.497 26.785 458.047 35.731 -50.54996      44.65598 
1 1 1 -10 29 6  o 266.656 23.778 15.370  2.6570 16.437  3.0798  12.264  5.2544 275.097 26.775 228.547 54.962 46.54916       61.13680 
1 1 1 -10 29 7  o 155.955 22.631 5.3170  1.4510 4.1670  2.0051  6.5813  2.1024 135.792 34.730 172.143 29.925 -36.35101      45.84388 
1 1 1 -10 29 8  o 131.290 28.214 3.8586  1.5220 5.8085  2.6668  2.9166  1.8535 159.512 39.649 115.137 34.950 44.37498       52.85411 
1 1 1 -10 29 9  o 138.708 29.691 4.3182  1.6914 8.1406  2.8180  2.1655  2.1147 189.961 36.354 105.813 37.585 84.14806       52.28970 
1 1 1 -10 29 10 o 290.493 17.775 18.087  2.1762 21.464  3.5972  16.138  2.7330 314.104 27.315 272.974 23.882 41.13055       36.28263 
1 1 1 -10 29 11 o 643.050 17.995 88.373  4.9005 84.750  6.5937  92.843  7.3243 627.128 24.827 655.655 26.379 -28.52618      36.22458 
1 1 1 -10 29 12 o 193.360 20.410 8.1027  1.6461 8.8598  2.8251  7.7136  2.0254 198.285 34.918 187.198 26.272 11.08730       43.69791 
1 1 1 -10 29 13 o 129.681 27.366 3.7778  1.4557 0.7831  2.5386  5.2448  1.7768 94.955  39.114 153.100 28.452 -58.14479      48.36702 
1 1 1 -10 29 14 f 197.055 17.935 8.3796  1.4803 6.1598  2.8963  9.1646  1.7223 162.695 41.810 205.690 20.026 -42.99466      46.35899 
1 1 1 -10 29 15 o 418.887 14.221 37.430  2.5228 44.768  4.5495  34.171  3.0315 454.567 23.715 399.374 17.924 55.19302       29.72697 
1 1 1 -10 29 16 o 252.860 16.128 13.731  1.7180 17.491  3.3157  12.350  2.0087 281.786 28.163 238.830 20.045 42.95639       34.56804 
1 1 1 -10 29 17 o 209.047 20.126 9.4976  1.7597 0.0000  0.0000  9.4976  1.7597 ?       ?      209.047 20.126 0.000000       20.12562 
1 1 1 -10 29 18 o 217.761 15.759 10.215  1.4435 10.452  2.4098  10.082  1.8026 216.901 26.805 215.223 20.006 1.677933       33.44820 
1 1 1 -10 29 19 o 80.405  26.041 1.3901  1.0124 -0.4708 1.8970  2.1312  1.1971 71.149  31.572 96.961  27.748 -25.81260      42.03269 
1 1 1 -10 29 20 o 164.660 19.845 5.9581  1.3559 5.9126  2.4782  5.9776  1.6199 157.513 37.661 163.558 24.110 -6.045380      44.71759 
1 1 1 -10 29 21 o 197.864 17.395 8.5149  1.4428 5.5724  2.8196  9.5587  1.6793 150.988 42.369 209.151 19.173 -58.16350      46.50478 
1 1 1 -10 29 22 f 157.053 19.923 5.4515  1.2953 3.9143  2.4321  6.0601  1.5304 127.782 40.255 164.803 22.516 -37.02045      46.12456 
1 1 1 -10 29 23 o 204.973 17.693 9.1905  1.5208 11.649  2.7944  8.1560  1.8127 224.663 30.130 190.959 22.871 33.70470       37.82699 
1 1 1 -10 29 24 o 167.685 19.956 6.2440  1.3893 7.9049  2.6105  5.5877  1.6410 181.016 35.321 156.169 25.707 24.84712       43.68597 
1 1 1 -10 29 25 o 71.693  26.651 0.9515  1.0801 4.0412  2.1272  -0.1218 1.2537 128.171 37.078 59.776  26.125 68.39549       45.35785 
1 1 1 -10 30 1  o 566.988 20.516 68.830  4.9262 64.120  6.7045  74.354  7.2621 543.438 29.240 585.973 29.265 -42.53516      41.36881 
1 1 1 -10 30 2  o 195.008 30.168 8.4205  2.4110 6.1308  3.2656  11.164  3.5746 163.270 45.520 222.242 39.424 -58.97134      60.21856 
1 1 1 -10 30 3  o 197.700 28.533 8.6109  2.3198 9.6824  3.0986  7.2445  3.4991 207.532 36.593 176.937 46.199 30.59497       58.93564 
1 1 1 -10 30 4  o 538.627 22.321 62.216  5.0914 0.0000  0.0000  62.216  5.0914 ?       ?      538.627 22.321 0.000000       22.32076 
1 1 1 -10 30 5  o 236.202 26.589 12.171  2.6134 0.0000  0.0000  12.171  2.6134 ?       ?      236.202 26.589 0.000000       26.58882 
1 1 1 -10 30 6  o 558.214 15.837 66.414  3.7438 57.791  5.6842  73.020  4.9753 517.235 26.033 584.153 20.112 -66.91724      32.89703 
1 1 1 -10 30 7  o 132.626 33.675 3.9823  1.8948 4.9039  2.1526  0.8109  3.9932 146.949 35.077 115.105 48.361 31.84489       59.74255 
1 1 1 -10 30 8  o 172.578 32.887 6.6929  2.3158 5.6237  2.7769  9.1347  4.1965 156.502 41.297 197.288 50.127 -40.78593      64.94720 
1 1 1 -10 30 9  o 528.084 20.567 59.769  4.5995 0.0000  0.0000  59.769  4.5995 ?       ?      528.084 20.567 0.000000       20.56684 
1 1 1 -10 30 10 o 333.026 16.905 23.745  2.3764 23.539  3.7523  23.884  3.0706 328.723 27.198 332.760 21.912 -4.037811      34.92703 
1 1 1 -10 30 11 o 384.708 15.836 31.587  2.5800 37.046  4.1012  28.013  3.3190 414.041 23.486 360.375 21.851 53.66559       32.07888 
1 1 1 -10 30 12 o 156.408 27.022 5.4463  1.7251 3.5035  2.6988  6.7885  2.2433 127.305 42.579 173.708 31.661 -46.40342      53.06031 
1 1 1 -10 30 13 o 93.106  31.110 1.8087  1.4407 -1.1497 2.3458  3.6003  1.8255 75.383  34.143 125.711 33.631 -50.32844      47.92480 
1 1 1 -10 30 14 o 146.587 21.303 4.7178  1.2838 0.1160  2.6882  6.0773  1.4611 90.951  38.998 166.766 21.165 -75.81451      44.37161 
1 1 1 -10 30 15 o 517.896 14.404 57.261  3.1592 69.501  5.6501  51.694  3.8105 566.718 23.542 490.835 18.332 75.88245       29.83773 
1 1 1 -10 30 16 o 121.881 23.435 3.3220  1.1657 1.1260  2.6377  3.8549  1.2995 98.827  40.191 131.320 24.260 -32.49323      46.94513 
1 1 1 -10 30 17 o 215.987 20.537 10.166  1.8559 0.0000  0.0000  10.166  1.8559 ?       ?      215.987 20.537 0.000000       20.53734 
1 1 1 -10 30 18 o 94.909  26.347 2.0416  1.0965 2.7719  2.0177  1.7356  1.3062 111.572 36.797 89.807  29.606 21.76505       47.22890 
1 1 1 -10 30 19 o 213.594 16.071 9.8660  1.4431 8.6289  2.3698  10.595  1.8192 194.831 29.658 220.261 19.712 -25.43051      35.61086 
1 1 1 -10 30 20 o 285.389 14.913 17.541  1.7961 18.311  3.0893  17.147  2.2076 286.980 25.691 280.831 18.668 6.148529       31.75754 
1 1 1 -10 30 21 o 257.391 16.763 14.363  1.8172 12.343  3.2504  15.281  2.1917 230.132 34.408 264.364 19.719 -34.23268      39.65784 
1 1 1 -10 30 22 o 173.879 19.452 6.6710  1.4079 6.4498  2.5690  6.7660  1.6831 162.540 38.002 173.568 23.502 -11.02783      44.68246 
1 1 1 -10 30 23 o 77.401  27.182 1.2387  1.1033 2.3130  2.3986  0.9504  1.2426 105.337 39.605 74.256  28.368 31.08037       48.71665 
1 1 1 -10 30 24 o 361.691 14.586 28.251  2.2342 30.158  3.8259  27.264  2.7522 366.318 24.809 352.808 18.485 13.51038       30.93779 
1 1 1 -10 31 1  o 460.230 21.001 45.430  4.0932 44.045  5.5780  47.047  6.0252 449.501 29.465 464.002 30.838 -14.50040      42.65208 
1 1 1 -10 31 2  o 135.865 37.272 4.1965  2.2091 4.2737  3.0640  4.1129  3.1880 139.296 45.316 137.981 46.278 1.315659       64.77011 
1 1 1 -10 31 3  o 137.479 33.343 4.2881  1.9213 5.9759  3.0168  3.1365  2.4921 160.919 43.312 121.760 40.915 39.15968       59.58144 
1 1 1 -10 31 4  o 299.751 18.654 19.287  2.3563 16.219  3.3438  22.312  3.3208 271.918 29.511 320.947 24.620 -49.02939      38.43272 
1 1 1 -10 31 5  o 323.221 17.749 22.388  2.4202 19.817  3.4706  24.821  3.3766 301.494 27.484 338.858 23.679 -37.36456      36.27771 
1 1 1 -10 31 6  o 286.299 25.865 17.830  3.1021 0.0000  0.0000  17.830  3.1021 ?       ?      286.299 25.865 0.000000       25.86473 
1 1 1 -10 31 7  o 103.268 32.801 2.3031  1.6122 0.0000  0.0000  2.3031  1.6122 ?       ?      103.268 32.801 0.000000       32.80062 
1 1 1 -10 31 8  o 102.521 31.759 2.2956  1.5209 2.7827  2.5372  2.0224  1.9002 117.324 41.219 101.275 35.664 16.04836       54.50659 
1 1 1 -10 31 9  o 361.012 20.396 28.048  3.1055 26.034  3.9318  31.388  5.0635 345.639 27.077 377.698 31.956 -32.05890      41.88537 
1 1 1 -10 31 10 o 115.136 36.995 2.8911  2.0463 4.3303  2.4423  -0.4998 3.7488 137.668 39.702 102.230 44.915 35.43838       59.94656 
1 1 1 -10 31 11 o 194.051 26.810 8.3132  2.1444 11.257  2.7382  3.6455  3.4482 225.504 29.370 133.527 47.933 91.97629       56.21535 
1 1 1 -10 31 12 o 169.161 22.214 6.2670  1.5529 9.3560  2.6336  4.6207  1.9227 204.464 31.421 142.331 32.599 62.13344       45.27655 
1 1 1 -10 31 13 o 224.230 21.896 10.937  2.0527 11.623  3.0581  10.375  2.7693 227.695 32.649 215.403 31.272 12.29137       45.20911 
1 1 1 -10 31 14 o 90.531  31.292 1.6604  1.4594 3.0047  2.5116  0.9751  1.7931 119.034 41.056 85.123  33.635 33.91093       53.07461 
1 1 1 -10 31 15 o 511.075 14.323 55.806  3.1000 63.005  5.5833  52.598  3.7273 538.434 24.486 494.970 17.782 43.46387       30.26127 
1 1 1 -10 31 16 o 320.293 15.461 21.976  2.0971 19.700  3.8929  22.906  2.4892 296.515 31.483 325.826 18.111 -29.31082      36.32074 
1 1 1 -10 31 17 o 112.995 28.021 2.9269  1.3343 0.0000  0.0000  2.9269  1.3343 ?       ?      112.995 28.021 0.000000       28.02106 
1 1 1 -10 31 18 o 112.205 24.222 2.8596  1.1172 4.5808  2.0316  2.1135  1.3377 139.473 34.570 96.888  29.746 42.58508       45.60644 
1 1 1 -10 31 19 o 268.617 15.294 15.558  1.7326 12.626  2.8614  17.256  2.1771 236.242 29.224 281.851 18.340 -45.60852      34.50224 
1 1 1 -10 31 20 o 177.758 19.757 6.9489  1.4621 13.245  2.7753  4.5299  1.7202 242.509 27.510 139.617 29.989 102.8916       40.69566 
1 1 1 -10 31 21 o 260.179 15.936 14.669  1.7474 13.180  3.1691  15.320  2.0945 238.400 32.215 264.734 18.805 -26.33415      37.30144 
1 1 1 -10 31 22 o 85.190  27.464 1.6210  1.1270 0.8101  2.3719  1.8575  1.2809 89.121  37.349 90.718  29.282 -1.596657      47.45920 
1 1 1 -10 31 23 f 138.095 22.400 4.3194  1.2651 4.4144  2.5686  4.2890  1.4537 132.526 41.308 136.089 26.173 -3.563095      48.90191 
1 1 1 -10 31 24 o 141.620 28.975 4.7214  1.6792 7.7834  2.7567  2.9149  2.1174 177.477 37.834 111.129 37.713 66.34765       53.41942 
1 1 1 -10 32 1  o 430.663 21.149 39.837  3.8571 43.367  5.3229  35.934  5.5971 446.012 28.328 403.730 33.025 42.28180       43.51017 
1 1 1 -10 32 2  o 240.095 22.782 12.513  2.2887 11.131  3.4716  13.575  3.0438 221.384 38.423 248.178 29.541 -26.79433      48.46585 
1 1 1 -10 32 3  o 197.061 29.023 8.6064  2.3495 8.5904  3.2438  8.6240  3.4077 193.092 40.939 192.878 42.835 0.2143707      59.25217 
1 1 1 -10 32 4  o 269.362 18.643 15.604  2.1136 14.936  3.0111  16.254  2.9676 261.087 27.654 272.993 25.983 -11.90591      37.94492 
1 1 1 -10 32 5  o 61.717  26.481 -0.0414 1.2410 0.4647  1.5553  -0.9282 2.0589 74.886  30.704 71.563  32.238 3.322617       44.51975 
1 1 1 -10 32 6  o 103.191 30.164 2.3681  1.4012 0.5810  1.8563  4.7352  2.1364 81.853  33.550 143.908 35.319 -62.05495      48.71366 
1 1 1 -10 32 7  o 134.062 34.102 4.0995  1.9407 0.0000  0.0000  4.0995  1.9407 ?       ?      134.062 34.102 0.000000       34.10215 
1 1 1 -10 32 8  o 204.372 28.685 9.2510  2.4143 0.0000  0.0000  9.2510  2.4143 ?       ?      204.372 28.685 0.000000       28.68518 
1 1 1 -10 32 9  o 410.823 20.916 36.373  3.6269 0.0000  0.0000  36.373  3.6269 ?       ?      410.823 20.916 0.000000       20.91559 
1 1 1 -10 32 10 o 212.725 24.063 9.8986  2.1296 12.062  3.2180  8.2131  2.8407 231.820 33.771 189.539 36.716 42.28075       49.88512 
1 1 1 -10 32 11 o 304.424 17.320 19.906  2.2237 25.261  3.6706  16.801  2.7950 340.320 25.657 277.729 24.000 62.59109       35.13227 
1 1 1 -10 32 12 o 139.460 34.085 4.4685  1.9960 1.2313  2.6327  8.8447  3.0611 100.133 40.354 195.914 38.267 -95.78105      55.61356 
1 1 1 -10 32 13 o 268.432 22.181 15.669  2.4989 14.422  3.3412  17.252  3.7644 253.985 31.758 277.700 32.631 -23.71548      45.53431 
1 1 1 -10 32 14 o 222.443 21.747 10.795  2.0224 9.7191  3.1173  11.577  2.6577 205.299 37.226 228.285 28.083 -22.98506      46.63057 
1 1 1 -10 32 15 o 291.848 30.157 19.019  3.6735 19.019  3.6735  0.0000  0.0000 291.848 30.157 ?       ?      0.000000       30.15686 
1 1 1 -10 32 16 o 252.432 31.967 14.442  3.3407 14.442  3.3407  0.0000  0.0000 252.432 31.967 ?       ?      0.000000       31.96671 
1 1 1 -10 32 17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -10 32 18 o 271.874 17.476 16.025  2.0014 12.899  2.9015  18.863  2.7644 238.726 29.316 292.906 22.457 -54.18024      36.92852 
1 1 1 -10 32 19 o 124.799 26.778 3.5792  1.3729 4.3379  2.2146  3.1056  1.7497 134.472 37.484 115.181 33.717 19.29033       50.41679 
1 1 1 -10 32 20 o 119.557 28.187 3.3269  1.4039 5.0532  2.4655  2.4986  1.7078 143.640 39.363 104.521 33.819 39.11949       51.89606 
1 1 1 -10 32 21 o 157.639 27.165 5.7234  1.7480 11.870  2.8278  1.9220  2.2238 226.495 30.236 99.453  37.961 127.0429       48.53112 
1 1 1 -10 32 22 o 128.335 26.810 3.8388  1.4101 -1.5143 2.4842  6.3834  1.7128 72.808  33.764 167.323 24.933 -94.51456      41.97207 
1 1 1 -10 32 23 o 212.445 21.467 10.070  1.9049 11.566  2.8948  8.9275  2.5298 221.553 31.762 194.188 31.868 27.36490       44.99310 
1 1 1 -10 33 1  o 146.838 36.524 4.9573  2.2618 1.5613  3.0487  9.1150  3.3733 108.907 43.589 198.359 41.490 -89.45280      60.17851 
1 1 1 -10 33 2  o 115.468 34.191 2.9910  1.7902 3.2685  2.5746  2.7312  2.4910 123.420 41.587 115.926 40.832 7.493782       58.28170 
1 1 1 -10 33 3  o 236.728 22.667 12.181  2.2446 10.119  3.3522  13.857  3.0222 210.210 39.094 250.676 29.004 -40.46547      48.67846 
1 1 1 -10 33 4  o 143.810 30.729 4.6826  1.8147 5.5408  2.2606  3.1274  3.0431 155.592 35.138 124.986 45.012 30.60625       57.10344 
1 1 1 -10 33 5  o 133.242 26.619 3.9803  1.4495 4.4184  1.8562  3.2959  2.3202 139.327 32.118 122.342 39.401 16.98537       50.83331 
1 1 1 -10 33 6  o 274.421 18.130 16.199  2.0951 15.438  3.2458  16.743  2.7432 264.495 29.479 277.540 23.562 -13.04477      37.73827 
1 1 1 -10 33 7  o 340.007 17.370 24.808  2.4928 27.348  3.9688  23.152  3.2036 353.940 26.674 326.700 23.308 27.24023       35.42256 
1 1 1 -10 33 8  o 71.180  29.776 0.2608  1.5035 2.5649  2.6701  -0.8088 1.8193 115.228 42.063 67.340  30.323 47.88815       51.85312 
1 1 1 -10 33 9  o 103.120 29.547 2.3847  1.3566 0.2635  2.3337  3.4674  1.6672 86.497  36.689 123.329 31.737 -36.83264      48.51095 
1 1 1 -10 33 10 o 293.563 28.910 19.009  3.5475 0.0000  0.0000  19.009  3.5475 ?       ?      293.563 28.910 0.000000       28.90990 
1 1 1 -10 33 11 o 371.002 20.065 29.708  3.1408 0.0000  0.0000  29.708  3.1408 ?       ?      371.002 20.065 0.000000       20.06489 
1 1 1 -10 33 12 o 550.962 18.996 65.285  4.4323 0.0000  0.0000  65.285  4.4323 ?       ?      550.962 18.996 0.000000       18.99594 
1 1 1 -10 33 13 o 206.320 23.967 9.3682  2.0551 0.0000  0.0000  9.3682  2.0551 ?       ?      206.320 23.967 0.000000       23.96739 
1 1 1 -10 33 14 o 203.150 20.973 9.0237  1.7784 0.0000  0.0000  9.0237  1.7784 ?       ?      203.150 20.973 0.000000       20.97254 
1 1 1 -10 33 15 o 132.939 23.831 3.9684  1.2924 6.0452  2.7481  3.3787  1.4644 158.738 40.690 121.178 28.935 37.55987       49.92924 
1 1 1 -10 33 16 o 247.876 18.011 13.338  1.8777 11.590  3.5742  14.004  2.2068 220.940 39.657 253.015 20.779 -32.07475      44.77102 
1 1 1 -10 33 17 o 180.469 33.483 7.5922  2.4648 5.2811  3.9509  9.0647  3.1537 147.376 51.456 194.325 39.664 -46.94888      64.96861 
1 1 1 -10 33 18 o 270.574 19.625 15.993  2.2334 16.335  2.8908  15.486  3.5177 270.654 25.522 259.365 32.757 11.28992       41.52596 
1 1 1 -10 33 19 o 230.507 21.486 11.732  2.0732 11.813  2.8208  11.638  3.0575 227.003 30.084 223.428 33.333 3.574875       44.90148 
1 1 1 -10 33 20 o 190.052 21.518 8.0380  1.7014 0.0000  0.0000  8.0380  1.7014 ?       ?      190.052 21.518 0.000000       21.51802 
1 1 1 -10 33 21 o 154.339 23.850 5.4143  1.5086 2.9202  3.7444  5.8976  1.6483 120.062 48.217 160.677 25.040 -40.61514      54.33139 
1 1 1 -10 33 22 o 82.038  28.924 1.4190  1.2502 0.6132  3.3851  1.5463  1.3453 98.762  43.053 85.178  30.007 13.58434       52.47781 
1 1 1 -10 34 1  o 275.023 21.395 16.389  2.4723 20.846  3.7367  12.920  3.2970 307.604 29.028 239.974 33.344 67.63008       44.20911 
1 1 1 -10 34 2  o 122.010 34.976 3.3841  1.9005 0.9048  2.7957  5.5142  2.5914 99.327  40.996 154.014 39.532 -54.68708      56.95095 
1 1 1 -10 34 3  o 296.733 20.234 19.015  2.5275 23.856  3.9489  15.656  3.2897 329.493 28.583 266.047 29.705 63.44574       41.22358 
1 1 1 -10 34 4  o 120.763 28.639 3.3058  1.4424 4.1036  1.8190  1.9540  2.3677 134.013 32.406 104.904 39.367 29.10970       50.98958 
1 1 1 -10 34 5  o 61.841  27.051 -0.2436 1.3466 -0.7714 1.6446  0.8305  2.3459 63.754  28.758 92.175  37.741 -28.42056      47.44897 
1 1 1 -10 34 6  o 104.097 31.774 2.4033  1.5289 3.5793  2.4840  1.6860  1.9399 126.694 40.765 96.539  35.750 30.15492       54.22099 
1 1 1 -10 34 7  o 284.871 18.772 17.494  2.2519 20.662  3.6261  15.504  2.8731 306.431 28.261 265.976 25.833 40.45514       38.28879 
1 1 1 -10 34 8  o 161.448 23.748 5.7559  1.5752 5.4970  2.4857  5.9296  2.0362 153.743 38.315 161.844 30.834 -8.100403      49.18150 
1 1 1 -10 34 9  o 281.318 17.513 17.034  2.0761 12.130  3.2178  20.531  2.7173 231.844 33.764 307.909 20.964 -76.06567      39.74294 
1 1 1 -10 34 10 o 217.623 23.883 10.390  2.1649 12.396  3.1368  8.5652  2.9916 234.751 32.418 192.287 38.085 42.46394       50.01367 
1 1 1 -10 34 11 o 316.084 16.734 21.485  2.2320 26.096  3.8348  19.123  2.7448 344.635 26.477 296.468 22.019 48.16733       34.43681 
1 1 1 -10 34 12 o 96.762  28.251 2.1046  1.2298 1.9430  2.2200  2.1761  1.4771 102.320 38.174 99.263  31.383 3.057243       49.41824 
1 1 1 -10 34 13 o 149.154 22.421 4.9353  1.3724 4.9423  2.6296  4.9327  1.6090 144.152 41.081 147.801 26.688 -3.648926      48.98827 
1 1 1 -10 34 14 o 202.036 21.093 8.9565  1.7781 0.0000  0.0000  8.9565  1.7781 ?       ?      202.036 21.093 0.000000       21.09338 
1 1 1 -10 34 15 o 151.148 24.727 5.1390  1.5280 0.0000  0.0000  5.1390  1.5280 ?       ?      151.148 24.727 0.000000       24.72662 
1 1 1 -10 34 16 o 248.699 19.876 13.522  2.0758 0.0000  0.0000  13.522  2.0758 ?       ?      248.699 19.876 0.000000       19.87566 
1 1 1 -10 34 17 o 102.378 28.122 2.4188  1.2567 0.0000  0.0000  2.4188  1.2567 ?       ?      102.378 28.122 0.000000       28.12214 
1 1 1 -10 34 18 o 125.194 26.735 3.6152  1.3743 0.0000  0.0000  3.6152  1.3743 ?       ?      125.194 26.735 0.000000       26.73475 
1 1 1 -10 34 19 o 380.651 15.727 31.323  2.5352 37.717  6.3347  30.103  2.7665 397.166 38.131 372.235 17.549 24.93173       41.97602 
1 1 1 -10 34 20 o 375.251 21.465 31.187  3.3969 37.214  5.8926  28.187  4.1571 395.464 35.566 351.170 28.191 44.29398       45.38310 
1 1 1 -10 34 21 o 206.154 24.230 9.6260  2.0751 10.411  2.9794  8.8868  2.8918 207.542 35.153 189.995 37.272 17.54747       51.23380 
1 1 1 -10 34 22 o 158.660 28.779 5.9097  1.8625 8.4223  2.8442  4.0235  2.4643 184.319 37.709 126.572 40.590 57.74781       55.40305 
1 1 1 -10 35 1  o 77.190  31.975 0.4463  1.7096 0.5716  2.4857  0.3338  2.3551 91.414  38.267 87.186  36.912 4.228821       53.16824 
1 1 1 -10 35 2  o 58.196  27.164 -1.4782 1.6495 -2.1675 2.5908  -1.0083 2.1392 73.119  34.100 72.138  32.645 0.9802551      47.20702 
1 1 1 -10 35 3  o 176.694 28.067 6.9790  2.0300 7.2330  3.1828  6.8049  2.6356 174.848 43.228 171.351 37.373 3.496582       57.14371 
1 1 1 -10 35 4  o 184.290 22.340 7.4415  1.7079 8.9543  2.3643  5.7908  2.4697 200.410 28.675 157.846 37.501 42.56364       47.20787 
1 1 1 -10 35 5  o 271.908 18.898 15.964  2.1625 15.919  3.2952  15.997  2.8661 267.871 29.539 270.136 25.349 -2.264984      38.92508 
1 1 1 -10 35 6  o 236.342 21.886 12.166  2.1657 8.9010  3.0456  15.505  3.0802 196.218 38.024 264.926 27.872 -68.70763      47.14551 
1 1 1 -10 35 7  o 168.752 22.655 6.2671  1.5782 6.1793  2.4981  6.3253  2.0359 163.074 37.020 167.376 29.815 -4.302551      47.53293 
1 1 1 -10 35 8  o 73.293  29.100 0.6787  1.3482 1.9609  2.4201  0.1017  1.6235 104.964 39.712 71.574  30.488 33.38916       50.06504 
1 1 1 -10 35 9  o 133.604 26.693 4.0325  1.4575 2.8994  2.3513  4.7395  1.8573 115.998 39.739 143.771 31.386 -27.77307      50.63834 
1 1 1 -10 35 10 o 75.047  29.501 0.7783  1.3728 1.3543  2.1616  0.3889  1.7772 94.508  37.060 77.536  32.399 16.97116       49.22560 
1 1 1 -10 35 11 o 166.531 23.269 6.1455  1.5962 5.3775  2.7027  6.5568  1.9780 150.163 41.239 170.378 28.414 -20.21497      50.08053 
1 1 1 -10 35 12 o 123.564 27.566 3.4940  1.4058 2.6565  2.4318  3.9144  1.7229 112.537 40.269 129.877 31.620 -17.33969      51.19952 
1 1 1 -10 35 13 o 209.306 22.533 9.6632  1.9658 7.7908  2.8934  11.268  2.6790 180.750 38.948 223.447 28.995 -42.69681      48.55599 
1 1 1 -10 35 14 o 283.004 16.049 17.297  1.9155 18.108  3.5406  16.961  2.2777 282.923 30.009 278.986 19.399 3.936676       35.73267 
1 1 1 -10 35 15 o 98.823  28.002 2.2407  1.2254 2.3116  2.6631  2.2217  1.3802 109.280 41.582 98.803  30.195 10.47760       51.38899 
1 1 1 -10 35 16 o 98.037  30.501 2.1835  1.4011 0.0000  0.0000  2.1835  1.4011 ?       ?      98.037  30.501 0.000000       30.50068 
1 1 1 -10 35 17 o 160.037 18.687 5.6368  1.2427 4.5344  2.2813  6.1019  1.4818 136.602 38.033 165.563 21.653 -28.96114      43.76445 
1 1 1 -10 35 18 o 242.994 19.714 12.991  2.0112 8.6083  3.6223  14.944  2.4182 182.152 46.729 259.444 22.224 -77.29196      51.74456 
1 1 1 -10 35 19 o 208.753 17.913 9.5674  1.5683 12.223  3.5290  8.9139  1.7507 223.109 38.756 200.145 20.966 22.96402       44.06339 
1 1 1 -10 35 20 o 100.747 27.339 2.3877  1.1962 -1.4675 3.2200  3.0049  1.2884 83.757  38.699 112.935 27.251 -29.17744      47.33167 
1 1 1 -10 35 21 o 125.418 27.850 3.7138  1.4407 10.876  3.1874  1.8750  1.6150 210.329 37.143 92.620  32.851 117.7089       49.58626 
1 1 1 -10 36 1  o 142.503 37.886 4.7700  2.3257 5.3173  2.7237  3.2970  4.4688 149.639 41.519 134.949 53.169 14.68956       67.45956 
1 1 1 -10 36 2  o 92.629  34.512 1.5541  1.8133 -1.2654 2.9403  3.2846  2.3035 84.171  38.165 120.872 39.291 -36.70179      54.77499 
1 1 1 -10 36 3  o 106.823 34.357 2.5221  1.7645 4.8545  2.6277  0.6066  2.3813 143.569 41.117 89.855  37.521 53.71454       55.66396 
1 1 1 -10 36 4  o 176.065 24.870 6.8774  1.8028 6.3672  2.4699  7.4591  2.6373 165.440 36.254 179.499 35.947 -14.05983      51.05475 
1 1 1 -10 36 5  o 241.501 20.437 12.681  2.0706 12.621  3.3724  12.717  2.6233 235.273 34.905 239.852 26.255 -4.578522      43.67723 
1 1 1 -10 36 6  o 251.305 19.091 13.684  2.0165 15.259  3.0908  12.516  2.6609 262.043 28.301 237.612 26.918 24.43080       39.05799 
1 1 1 -10 36 7  o 171.230 26.268 6.5537  1.8440 6.1344  2.6884  6.9263  2.5340 160.994 39.685 172.638 35.833 -11.64395      53.46855 
1 1 1 -10 36 8  o 93.806  31.314 1.8808  1.4596 2.7157  2.2935  1.3123  1.8924 112.737 39.213 90.264  34.874 22.47305       52.47741 
1 1 1 -10 36 9  o 104.935 30.256 2.5091  1.4185 1.4158  2.3035  3.1769  1.8003 96.703  38.150 117.353 34.158 -20.65012      51.20705 
1 1 1 -10 36 10 o 105.880 29.235 2.5691  1.3540 3.8908  2.2114  1.7764  1.7126 128.748 37.967 94.238  33.786 34.51032       50.82320 
1 1 1 -10 36 11 f 130.589 27.317 3.9005  1.4622 4.4085  2.4412  3.6163  1.8259 136.013 39.830 124.299 33.797 11.71403       52.23673 
1 1 1 -10 36 12 o 131.291 26.830 3.9418  1.4414 1.3688  2.5510  5.1485  1.7470 98.501  39.714 149.890 28.565 -51.38851      48.91959 
1 1 1 -10 36 13 o 152.463 20.753 5.1490  1.3051 4.7204  2.4894  5.3114  1.5326 139.708 40.024 153.671 24.363 -13.96309      46.85589 
1 1 1 -10 36 14 f 167.106 21.336 6.1893  1.4754 12.151  2.9912  4.2722  1.6961 230.002 31.539 135.360 30.339 94.64209       43.76319 
1 1 1 -10 36 15 o 131.871 24.848 3.9584  1.3367 4.3387  2.7679  3.8427  1.5266 133.751 43.032 128.600 28.752 5.151505       51.75330 
1 1 1 -10 36 16 o 229.849 20.468 11.634  1.9715 9.2065  2.7330  14.268  2.8467 197.777 33.847 251.216 27.191 -53.43942      43.41641 
1 1 1 -10 36 17 o 191.325 18.410 8.0435  1.4733 9.8768  3.8429  7.7277  1.5952 194.986 47.073 186.686 20.515 8.300217       51.34885 
1 1 1 -10 36 18 o 200.262 21.367 8.9442  1.7842 10.397  2.8243  7.9791  2.3016 209.354 32.944 184.338 30.553 25.01590       44.93085 
1 1 1 -10 36 19 o 63.960  25.125 0.6063  0.9951 1.2935  2.3246  0.4521  1.1011 92.495  37.686 63.654  25.936 28.84156       45.74819 
1 1 1 -10 36 20 o 174.766 19.633 6.7996  1.4279 6.0862  2.7420  7.0650  1.6726 153.563 41.276 176.688 22.892 -23.12492      47.19878 
1 1 1 -10 37 1  o 371.459 23.950 30.290  3.7474 29.587  4.5362  31.802  6.6502 363.675 29.713 366.227 43.744 -2.551971      52.88148 
1 1 1 -10 37 2  o 326.181 24.469 23.406  3.3554 26.665  4.0839  16.636  5.8862 346.248 28.093 255.142 56.012 91.10533       62.66225 
1 1 1 -10 37 3  o 318.745 18.905 22.014  2.5406 23.454  3.9243  20.975  3.3334 324.252 28.881 308.111 25.784 16.14053       38.71554 
1 1 1 -10 37 4  o 262.477 19.537 14.974  2.1561 12.381  3.1054  17.388  2.9959 233.324 32.293 280.500 25.499 -47.17546      41.14651 
1 1 1 -10 37 5  o 374.460 17.008 30.172  2.6972 27.677  4.2284  31.883  3.5022 352.577 28.564 382.458 21.712 -29.88089      35.87945 
1 1 1 -10 37 6  o 211.593 21.654 9.8251  1.9130 14.213  3.0903  7.0990  2.4358 251.437 29.588 174.886 34.114 76.55116       45.15762 
1 1 1 -10 37 7  o 175.633 22.885 6.8321  1.6617 9.8067  2.6167  4.8218  2.1512 207.745 30.665 143.041 35.642 64.70374       47.01780 
1 1 1 -10 37 8  o 307.818 19.823 20.615  2.5704 21.325  3.5262  19.811  3.7548 309.525 27.176 296.506 30.330 13.01932       40.72351 
1 1 1 -10 37 9  o 339.591 19.298 25.061  2.7639 24.732  3.7927  25.433  4.0361 333.256 27.109 337.091 28.541 -3.835052      39.36327 
1 1 1 -10 37 10 o 73.409  29.217 0.7120  1.3622 -0.2849 2.4021  1.1844  1.6538 81.396  35.852 84.647  32.630 -3.251526      48.47809 
1 1 1 -10 37 11 o 221.861 18.841 10.744  1.7535 10.300  3.0097  10.971  2.1574 209.828 35.111 222.523 23.237 -12.69470      42.10352 
1 1 1 -10 37 12 o 197.053 20.584 8.5478  1.6923 7.8859  2.9365  8.8771  2.0708 180.569 39.500 199.055 25.125 -18.48602      46.81361 
1 1 1 -10 37 13 o 70.384  27.183 0.7787  1.1494 4.3076  2.4159  -0.2537 1.3067 133.431 39.767 59.996  26.434 73.43512       47.75084 
1 1 1 -10 37 14 o 198.894 19.023 8.6766  1.5827 12.018  3.1307  7.5292  1.8344 226.961 33.587 183.175 24.243 43.78525       41.42241 
1 1 1 -10 37 15 o 135.858 23.419 4.1809  1.2988 2.9413  2.5896  4.5975  1.5012 114.860 41.501 141.640 25.984 -26.78005      48.96416 
1 1 1 -10 37 16 o 195.666 18.399 8.4152  1.5067 8.0005  2.7359  8.5957  1.8051 181.372 36.876 196.217 22.108 -14.84476      42.99572 
1 1 1 -10 37 17 o 132.227 23.615 3.9988  1.2738 7.9404  2.5919  2.7436  1.4627 181.022 35.076 107.417 30.647 73.60432       46.57905 
1 1 1 -10 37 18 o 116.665 31.377 3.2825  1.5840 11.247  2.6461  -1.1651 1.9774 219.704 29.160 65.727  30.354 153.9768       42.09150 
1 1 1 -10 37 19 o 62.864  25.127 0.5269  1.0115 0.1312  2.2832  0.6235  1.1283 80.785  35.283 66.696  26.577 14.08939       44.17259 
1 1 1 -10 37 20 o 190.089 19.908 8.0496  1.5788 13.637  2.9849  5.8789  1.8604 241.257 29.852 157.841 28.896 83.41545       41.54681 
1 1 1 -10 38 1  o 289.591 28.087 18.791  3.4012 0.0000  0.0000  18.791  3.4012 ?       ?      289.591 28.087 0.000000       28.08665 
1 1 1 -10 38 2  o 111.936 34.149 2.8894  1.7664 2.3736  2.6936  3.2786  2.3396 110.699 41.892 119.656 39.631 -8.957428      57.66807 
1 1 1 -10 38 3  o 244.712 26.533 13.375  2.7056 12.229  3.3602  15.487  4.5627 229.173 35.792 252.868 44.218 -23.69525      56.88841 
1 1 1 -10 38 4  o 118.153 40.071 3.1514  2.3905 2.1686  2.8801  5.3281  4.2863 110.197 42.898 149.167 53.453 -38.96964      68.53769 
1 1 1 -10 38 5  o 214.550 21.769 10.133  1.9505 12.454  3.1056  8.6219  2.5066 233.131 32.325 193.671 31.656 39.45999       45.24379 
1 1 1 -10 38 6  o 66.943  27.682 0.3617  1.2782 -2.3219 2.2468  1.6459  1.5543 64.960  30.748 90.249  32.204 -25.28933      44.52609 
1 1 1 -10 38 7  o 236.030 20.199 12.193  1.9996 19.069  3.2718  8.0942  2.5263 292.257 26.731 186.645 33.177 105.6119       42.60596 
1 1 1 -10 38 8  o 145.893 25.432 4.8209  1.5141 4.4835  2.5260  5.0101  1.8917 136.339 40.669 146.590 31.417 -10.25156      51.39048 
1 1 1 -10 38 9  o 244.021 21.228 13.088  2.1718 10.854  3.0208  15.479  3.1248 215.878 34.180 261.776 28.655 -45.89764      44.60254 
1 1 1 -10 38 10 o 152.828 36.557 5.5992  2.3342 0.0000  0.0000  5.5992  2.3342 ?       ?      152.828 36.557 0.000000       36.55697 
1 1 1 -10 38 11 o 162.237 23.789 5.9077  1.5859 4.1903  2.8254  6.6977  1.9163 132.009 43.544 171.502 27.299 -39.49345      51.39381 
1 1 1 -10 38 12 o 61.171  25.145 0.3314  1.0465 -4.0598 2.2865  1.4949  1.1770 57.208  28.017 83.488  28.118 -26.28013      39.69363 
1 1 1 -10 38 13 o 132.840 22.861 3.9860  1.2397 1.0403  2.6266  4.8301  1.4061 95.149  39.541 146.297 23.491 -51.14792      45.99291 
1 1 1 -10 38 14 o 130.766 24.927 3.9184  1.3300 -2.3097 2.7385  5.8410  1.5215 72.959  34.355 161.161 22.941 -88.20191      41.31005 
1 1 1 -10 38 15 o 118.184 26.162 3.2504  1.2748 4.9604  2.5958  2.7068  1.4635 140.226 41.074 106.948 30.702 33.27749       51.28016 
1 1 1 -10 38 16 o 219.053 18.323 10.562  1.6842 12.447  3.0508  9.7360  2.0198 229.396 32.298 207.818 23.355 21.57831       39.85728 
1 1 1 -10 38 17 o 116.088 24.939 3.1381  1.1895 6.1847  2.3834  2.1275  1.3727 157.804 36.406 95.522  30.259 62.28176       47.33892 
1 1 1 -10 38 18 o 60.700  26.506 -0.0803 1.2880 2.2357  2.3407  -1.0863 1.5426 102.578 38.995 57.183  26.549 45.39498       47.17505 
1 1 1 -10 38 19 o 108.961 28.697 2.8364  1.3426 2.4909  4.6207  2.8682  1.4031 119.828 51.248 109.340 29.584 10.48837       59.17375 
1 1 1 -10 39 1  o 173.148 27.981 6.8261  1.9818 5.5252  3.1539  7.6748  2.5475 149.359 45.645 180.784 34.533 -31.42505      57.23666 
1 1 1 -10 39 2  o 179.736 35.362 7.6213  2.5958 0.0000  0.0000  7.6213  2.5958 ?       ?      179.736 35.362 0.000000       35.36195 
1 1 1 -10 39 3  o 185.517 35.618 8.1190  2.6966 0.0000  0.0000  8.1190  2.6966 ?       ?      185.517 35.618 0.000000       35.61844 
1 1 1 -10 39 4  o 130.512 34.795 4.0424  1.9583 4.9040  2.8978  3.3182  2.6567 141.658 43.829 121.030 42.198 20.62770       60.84159 
1 1 1 -10 39 5  o 187.187 31.378 8.0916  2.3994 8.9968  2.9931  6.4641  4.0135 194.255 37.744 159.121 51.870 35.13376       64.14869 
1 1 1 -10 39 6  o 92.862  36.543 1.3811  2.1086 1.5727  2.5238  0.9381  3.8371 99.834  39.759 108.734 46.607 -8.900642      61.26134 
1 1 1 -10 39 7  o 227.014 27.663 11.643  2.6045 8.7978  3.2494  16.755  4.3556 189.621 41.607 264.630 40.124 -75.00914      57.80194 
1 1 1 -10 39 8  o 95.570  29.505 2.0727  1.3140 2.6023  2.2535  1.8000  1.6174 109.310 38.801 92.919  32.884 16.39116       50.86179 
1 1 1 -10 39 9  o 172.334 27.241 6.7659  1.9220 9.7743  2.8533  4.2667  2.6006 204.122 34.218 132.626 41.601 71.49637       53.86607 
1 1 1 -10 39 10 o 102.585 32.964 2.4017  1.6247 0.0000  0.0000  2.4017  1.6247 ?       ?      102.585 32.964 0.000000       32.96420 
1 1 1 -10 39 11 o 231.301 21.794 11.844  2.1097 10.801  3.1155  12.728  2.8670 213.281 35.759 235.852 29.338 -22.57162      46.25360 
1 1 1 -10 39 12 o 176.392 26.294 7.0899  1.9042 11.506  2.9216  3.8285  2.5107 222.173 31.973 125.685 41.027 96.48849       52.01454 
1 1 1 -10 39 13 o 152.510 21.911 5.2253  1.3745 9.2413  2.5891  3.6491  1.6220 198.272 31.918 123.783 31.007 74.48927       44.49967 
1 1 1 -10 39 14 o 147.783 23.645 4.9716  1.4299 3.8308  2.6821  5.4246  1.6901 124.651 42.444 152.950 27.085 -28.29908      50.34908 
1 1 1 -10 39 15 o 109.848 28.629 2.8675  1.3453 3.8288  2.7353  2.5608  1.5451 124.018 42.842 103.800 31.986 20.21870       53.46534 
1 1 1 -10 39 16 o 95.694  29.062 2.1520  1.2814 3.7389  2.5610  1.6220  1.4800 122.204 41.475 87.319  31.397 34.88531       52.01882 
1 1 1 -10 39 17 o 198.368 18.597 8.7145  1.5441 10.445  3.0112  8.0970  1.7985 206.279 35.767 189.033 22.936 17.24625       42.48887 
1 1 1 -10 39 18 o 126.615 29.126 3.8378  1.5292 7.6140  2.4727  1.4989  1.9460 176.346 34.345 90.026  35.202 86.32003       49.18083 
1 1 1 -10 40 1  o 131.390 31.425 4.0666  1.7250 4.2193  2.7247  3.9645  2.2285 131.957 42.719 128.309 38.182 3.648041       57.29573 
1 1 1 -10 40 2  o 151.722 30.188 5.3544  1.8714 3.0813  2.7762  7.2476  2.5336 118.213 42.930 174.522 35.489 -56.30945      55.69944 
1 1 1 -10 40 3  o 86.669  33.805 1.2262  1.7911 0.7035  2.8989  1.5490  2.2780 95.954  40.803 96.521  37.983 -0.5667267     55.74555 
1 1 1 -10 40 4  o 103.619 40.988 1.8275  2.6657 0.0000  0.0000  1.8275  2.6657 ?       ?      103.619 40.988 0.000000       40.98826 
1 1 1 -10 40 5  o 346.193 23.592 26.540  3.4382 0.0000  0.0000  26.540  3.4382 ?       ?      346.193 23.592 0.000000       23.59181 
1 1 1 -10 40 6  o 91.759  31.576 1.8094  1.4852 0.7998  2.3845  2.4494  1.8985 89.969  37.556 104.732 35.709 -14.76354      51.82220 
1 1 1 -10 40 7  o 175.119 32.981 7.2134  2.3562 6.3051  2.8676  9.1010  4.1339 159.152 41.952 185.897 50.981 -26.74448      66.02330 
1 1 1 -10 40 8  o 64.800  29.544 -0.8936 1.7933 -0.1544 2.1096  -2.8193 3.4048 76.879  33.737 80.888  38.154 -4.009483      50.93077 
1 1 1 -10 40 9  o 136.880 40.128 4.6213  2.4767 4.6213  2.4767  0.0000  0.0000 136.880 40.128 ?       ?      0.000000       40.12752 
1 1 1 -10 40 10 o 143.273 32.362 4.8894  1.9172 6.1158  2.5147  3.1873  2.9626 157.742 38.078 119.230 44.175 38.51271       58.32116 
1 1 1 -10 40 11 o 195.082 35.106 9.1330  2.7937 9.1330  2.7937  0.0000  0.0000 195.082 35.106 ?       ?      0.000000       35.10630 
1 1 1 -10 40 12 o 89.193  28.798 1.8032  1.2388 2.7747  2.3639  1.4354  1.4546 110.308 39.678 84.563  31.019 25.74556       50.36347 
1 1 1 -10 40 13 o 143.304 29.654 4.8702  1.7403 6.0661  2.9074  4.2025  2.1724 152.656 43.089 129.809 37.448 22.84656       57.08777 
1 1 1 -10 40 14 o 238.436 22.078 12.748  2.2041 11.410  3.3743  13.744  2.9108 213.892 38.676 243.056 28.842 -29.16466      48.24582 
1 1 1 -10 40 15 o 106.367 28.191 2.6959  1.2903 2.8219  2.4161  2.6457  1.5262 109.947 40.031 104.932 31.683 5.015083       51.05178 
1 1 1 -10 40 16 f 74.760  27.289 1.1160  1.1238 -0.2507 2.3354  1.5279  1.2820 78.179  34.842 83.801  29.308 -5.621231      45.52930 
1 1 1 -10 40 17 o 196.366 18.306 8.5383  1.5047 13.942  2.8766  6.5027  1.7655 244.585 28.295 167.605 25.693 76.98013       38.21959 
1 1 1 -10 41 1  o 110.453 37.029 2.8368  2.0411 1.8826  2.7713  3.9681  3.0175 104.160 41.604 128.109 44.955 -23.94980      61.25257 
1 1 1 -10 41 2  o 140.881 31.102 4.6941  1.8059 2.0146  2.6532  7.0073  2.4651 104.536 41.038 170.720 35.264 -66.18462      54.10752 
1 1 1 -10 41 3  o 251.872 21.735 14.054  2.2957 18.717  3.5710  10.770  2.9970 285.544 29.978 213.341 34.337 72.20279       45.58169 
1 1 1 -10 41 4  o 118.223 35.116 3.3463  1.8862 2.5909  2.8123  3.9640  2.5431 111.998 42.704 127.481 41.271 -15.48308      59.38781 
1 1 1 -10 41 5  o 223.109 20.514 10.995  1.9166 14.117  2.9727  8.7737  2.5072 248.372 28.796 193.654 31.667 54.71858       42.80185 
1 1 1 -10 41 6  o 70.212  30.266 0.0787  1.6354 0.0000  0.0000  0.0787  1.6354 ?       ?      70.212  30.266 0.000000       30.26599 
1 1 1 -10 41 7  o 109.553 36.040 2.8076  1.9360 0.0000  0.0000  2.8076  1.9360 ?       ?      109.553 36.040 0.000000       36.04005 
1 1 1 -10 41 8  o 82.494  32.131 1.1431  1.6164 0.0000  0.0000  1.1431  1.6164 ?       ?      82.494  32.131 0.000000       32.13067 
1 1 1 -10 41 9  o 72.638  31.456 0.0731  1.7829 -1.7346 2.3118  2.7266  2.8009 68.527  32.043 112.430 42.677 -43.90294      53.36728 
1 1 1 -10 41 10 o 196.006 20.919 8.5634  1.7096 6.2568  2.8108  9.9178  2.1538 156.253 41.700 209.057 24.812 -52.80446      48.52355 
1 1 1 -10 41 11 o 67.740  30.303 -0.4297 1.7843 0.9384  2.2218  -2.9149 2.9946 87.596  36.382 73.203  34.892 14.39275       50.40899 
1 1 1 -10 41 12 o 66.021  29.014 -0.1358 1.5652 1.2734  2.3160  -1.3204 2.1234 91.856  37.542 67.271  31.203 24.58538       48.81662 
1 1 1 -10 41 13 o 157.827 28.821 5.8861  1.8554 7.6157  2.7674  4.4738  2.5006 173.466 38.660 131.850 40.702 41.61580       56.13580 
1 1 1 -10 41 14 o 185.100 27.891 8.0147  2.1185 6.6761  3.2680  8.9849  2.7822 156.445 46.161 190.727 35.759 -34.28258      58.39117 
1 1 1 -10 41 15 o 127.647 42.275 4.2240  2.6622 4.2240  2.6622  0.0000  0.0000 127.647 42.275 ?       ?      0.000000       42.27529 
1 1 1 -10 42 1  o 284.934 20.774 17.990  2.4895 18.271  3.8092  17.780  3.2891 278.176 32.977 278.091 28.324 0.8486938E-01  43.47078 
1 1 1 -10 42 2  o 90.787  36.217 1.3489  2.0974 -0.3699 3.1339  2.7433  2.8227 89.406  40.065 112.483 42.808 -23.07711      58.63237 
1 1 1 -10 42 3  o 88.587  35.790 1.1734  2.0764 0.5403  2.7894  1.9603  3.1098 91.612  39.509 106.974 43.587 -15.36143      58.82825 
1 1 1 -10 42 4  o 89.025  35.115 1.3425  1.9513 0.6990  2.9350  1.8523  2.6123 94.611  40.663 101.554 40.448 -6.943802      57.35428 
1 1 1 -10 42 5  o 94.767  32.619 2.0043  1.5850 -0.1688 2.7661  3.0665  1.9339 85.892  38.119 112.931 35.931 -27.03890      52.38427 
1 1 1 -10 42 6  o 58.782  25.990 -0.2456 1.2742 2.9896  2.2719  -1.7303 1.5391 112.532 39.035 52.781  25.118 59.75150       46.41782 
1 1 1 -10 42 7  o 162.023 25.276 6.0228  1.6777 5.1145  2.8017  6.5306  2.0948 140.686 43.026 165.858 30.962 -25.17206      53.00829 
1 1 1 -10 42 8  o 75.629  29.356 0.9627  1.3458 -0.3243 2.2700  1.6601  1.6711 77.074  34.350 89.871  33.201 -12.79655      47.77264 
1 1 1 -10 42 9  o 238.385 23.393 12.823  2.3312 0.0000  0.0000  12.823  2.3312 ?       ?      238.385 23.393 0.000000       23.39335 
1 1 1 -10 42 10 o 153.836 28.936 5.5970  1.8160 0.0000  0.0000  5.5970  1.8160 ?       ?      153.836 28.936 0.000000       28.93631 
1 1 1 -10 42 11 o 82.269  31.715 1.2399  1.5624 0.0000  0.0000  1.2399  1.5624 ?       ?      82.269  31.715 0.000000       31.71543 
1 1 1 -10 42 12 o 56.503  25.281 -0.3607 1.2426 0.0000  0.0000  -0.3607 1.2426 ?       ?      56.503  25.281 0.000000       25.28104 
1 1 1 -10 42 13 o 85.732  29.828 1.6236  1.3270 0.0000  0.0000  1.6236  1.3270 ?       ?      85.732  29.828 0.000000       29.82755 
1 1 1 -10 42 14 o 173.684 25.148 6.9657  1.7959 0.0000  0.0000  6.9657  1.7959 ?       ?      173.684 25.148 0.000000       25.14818 
1 1 1 -10 43 1  o 182.716 27.549 7.7534  2.0654 9.0359  3.1241  6.7574  2.7530 188.751 40.308 162.640 40.200 26.11156       56.92765 
1 1 1 -10 43 2  f 241.428 23.295 13.140  2.3521 11.622  3.6273  14.242  3.0898 213.621 41.592 246.529 30.228 -32.90764      51.41619 
1 1 1 -10 43 3  o 197.636 31.656 9.2916  2.5601 5.8215  3.3801  13.960  3.9207 146.807 47.586 235.207 40.843 -88.39975      62.71027 
1 1 1 -10 43 4  o 83.492  35.067 0.7163  2.0984 0.8752  2.7486  0.4943  3.2490 93.107  39.665 95.780  41.954 -2.672546      57.73560 
1 1 1 -10 43 5  o 169.195 24.172 6.5417  1.6828 7.5518  2.6432  5.8532  2.1821 174.198 36.973 154.478 34.254 19.72000       50.40170 
1 1 1 -10 43 6  o 130.363 27.370 4.0077  1.4629 3.7308  2.5847  4.1382  1.7745 121.986 41.665 130.282 32.319 -8.296249      52.73045 
1 1 1 -10 43 7  o 117.466 30.497 3.3334  1.5304 6.1533  2.5808  1.8039  1.9007 155.108 39.255 93.572  35.242 61.53597       52.75375 
1 1 1 -10 43 8  f 237.272 22.039 12.654  2.1893 12.284  3.1086  13.017  3.0837 225.610 33.558 233.559 32.020 -7.949753      46.38332 
1 1 1 -10 43 9  o 184.498 26.176 7.8807  1.9878 4.6200  3.0152  10.388  2.6438 132.292 45.002 209.045 30.785 -76.75238      54.52464 
1 1 1 -10 43 10 o 117.467 29.194 3.3222  1.4460 2.1341  2.5825  3.8647  1.7452 102.605 40.421 125.338 32.579 -22.73296      51.91551 
1 1 1 -10 43 11 o 185.863 21.083 7.7758  1.6301 6.2929  2.8857  8.4708  1.9755 153.675 42.771 191.943 24.888 -38.26747      49.48540 
1 1 1 -10 43 12 o 88.833  29.443 1.8134  1.2912 6.9780  2.7619  0.3689  1.4607 163.855 40.123 69.128  29.157 94.72726       49.59786 
1 1 1 -10 44 1  o 200.305 26.991 9.2911  2.2313 7.3754  3.5266  10.570  2.8814 163.735 47.850 209.182 33.669 -45.44710      58.50819 
1 1 1 -10 44 2  o 97.037  35.483 2.0609  1.9013 -2.2716 3.2705  4.2727  2.3368 79.674  37.525 129.452 39.230 -49.77788      54.28725 
1 1 1 -10 44 3  o 87.678  34.366 1.3876  1.8581 3.6794  2.6849  -0.7191 2.5742 121.136 42.411 78.460  35.627 42.67572       55.38937 
1 1 1 -10 44 4  o 149.070 37.652 5.6377  2.3777 2.6653  3.0428  10.299  3.8102 111.315 43.868 194.984 46.749 -83.66885      64.10835 
1 1 1 -10 44 5  o 212.351 23.688 10.254  2.0939 11.362  2.9769  9.1688  2.9458 216.678 33.525 191.130 37.734 25.54819       50.47490 
1 1 1 -10 44 6  o 121.104 31.244 3.5746  1.6130 3.6404  2.6057  3.5338  2.0539 120.206 41.798 118.779 36.925 1.426277       55.77156 
1 1 1 -10 44 7  o 119.022 30.787 3.4466  1.5635 3.5777  2.6050  3.3729  1.9548 119.288 41.775 116.349 35.998 2.939079       55.14520 
1 1 1 -10 44 8  o 69.496  29.427 0.3408  1.4973 1.1889  2.3524  -0.2367 1.9413 90.684  37.531 71.699  31.872 18.98503       49.23790 
1 1 1 -10 44 9  o 150.320 26.518 5.2973  1.6264 4.7238  2.8079  5.5869  1.9952 133.316 43.381 151.253 32.140 -17.93767      53.98999 
1 1 1 -10 44 10 o 271.720 18.474 16.336  2.1132 9.0959  3.5616  20.270  2.6253 182.231 46.113 301.173 20.709 -118.9418      50.54969 
1 1 1 -9  0  1  o 2725.73 38.458 1583.03 44.373 1608.71 62.828  1557.48 62.678 2739.38 54.205 2694.88 54.971 -0.000000      0.000000 
1 1 1 -9  0  2  o 899.285 23.538 171.973 8.9504 160.835 12.587  183.365 12.730 867.453 34.387 926.913 32.519 0.000000       0.000000 
1 1 1 -9  0  3  o 300.227 33.204 19.859  4.0898 0.0000  0.0000  19.859  4.0898 300.227 33.204 300.227 33.204 0.000000       0.000000 
1 1 1 -9  0  4  o 765.840 32.113 125.389 10.374 125.389 10.374  0.0000  0.0000 765.840 32.113 765.840 32.113 0.000000       0.000000 
1 1 1 -9  0  5  o 663.767 22.281 93.806  6.2473 96.064  8.7655  91.475  8.9063 670.032 31.043 653.420 32.367 0.000000       0.000000 
1 1 1 -9  0  6  o 471.263 21.687 47.418  4.3072 47.401  6.1572  47.435  6.0275 469.067 31.316 469.411 30.620 -0.000000      0.000000 
1 1 1 -9  0  7  o 553.562 21.735 65.313  5.0774 63.821  7.2975  66.713  7.0691 545.089 31.862 557.829 30.125 -0.000000      0.000000 
1 1 1 -9  0  8  o 2594.27 36.790 1433.84 40.402 1457.45 56.715  1409.52 57.567 2608.02 51.396 2563.72 53.074 0.000000       0.000000 
1 1 1 -9  0  9  o 380.911 21.157 31.060  3.3888 29.919  4.9316  32.080  4.6646 371.121 31.922 385.387 28.957 -0.000000      0.000000 
1 1 1 -9  0  10 o 800.884 21.930 136.368 7.4252 138.663 10.124  133.697 10.923 806.252 29.743 790.998 32.735 0.000000       0.000000 
1 1 1 -9  0  11 o 1062.75 34.310 240.939 15.405 0.0000  0.0000  240.939 15.405 1062.75 34.310 1062.75 34.310 0.000000       0.000000 
1 1 1 -9  0  12 o 88.332  35.613 2.3021  1.2994 2.3021  1.2994  0.0000  0.0000 88.332  35.613 88.332  35.613 0.000000       0.000000 
1 1 1 -9  0  13 o 628.850 19.745 84.105  5.2465 85.536  6.7917  81.989  8.2619 633.284 25.417 618.671 31.724 0.000000       0.000000 
1 1 1 -9  0  14 o 475.541 23.107 48.322  4.6285 0.0000  0.0000  48.322  4.6285 475.541 23.107 475.541 23.107 -0.000000      0.000000 
1 1 1 -9  0  15 o 600.209 17.401 76.570  4.4146 68.564  7.8521  80.271  5.3382 564.877 33.083 614.128 20.578 -0.000000      0.000000 
1 1 1 -9  0  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  23 f 569.374 20.923 69.206  5.0295 69.206  5.0295  0.0000  0.0000 569.374 20.923 569.374 20.923 -0.000000      0.000000 
1 1 1 -9  0  24 o 309.441 20.428 20.634  2.6502 0.0000  0.0000  20.634  2.6502 309.441 20.428 309.441 20.428 0.000000       0.000000 
1 1 1 -9  0  25 o 272.766 21.919 16.156  2.4943 16.156  2.4943  0.0000  0.0000 272.766 21.919 272.766 21.919 -0.000000      0.000000 
1 1 1 -9  0  26 o 173.563 31.800 7.0645  2.1056 0.0000  0.0000  7.0645  2.1056 173.563 31.800 173.563 31.800 0.000000       0.000000 
1 1 1 -9  0  27 o 138.335 43.485 5.1976  2.2373 0.0000  0.0000  5.1976  2.2373 138.335 43.485 138.335 43.485 0.000000       0.000000 
1 1 1 -9  0  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  29 o 608.094 22.291 79.579  5.7229 0.0000  0.0000  79.579  5.7229 608.094 22.291 608.094 22.291 0.000000       0.000000 
1 1 1 -9  0  30 o 109.538 45.725 3.7355  2.1220 0.0000  0.0000  3.7355  2.1220 109.538 45.725 109.538 45.725 0.000000       0.000000 
1 1 1 -9  0  31 o 206.818 39.180 10.353  3.0729 10.353  3.0729  0.0000  0.0000 206.818 39.180 206.818 39.180 -0.000000      0.000000 
1 1 1 -9  0  32 o 212.962 39.721 10.975  3.2168 10.975  3.2168  0.0000  0.0000 212.962 39.721 212.962 39.721 -0.000000      0.000000 
1 1 1 -9  1  1  o 1341.23 18.575 381.916 10.551 389.565 14.913  374.250 14.929 1352.88 26.029 1325.87 26.588 27.00903       37.20773 
1 1 1 -9  1  2  o 593.078 15.784 74.628  3.9643 73.412  5.5794  75.868  5.6339 587.631 22.420 597.394 22.269 -9.763733      31.60013 
1 1 1 -9  1  3  o 538.003 22.260 61.542  5.0717 66.260  7.1762  56.835  7.1687 556.409 30.572 514.709 33.063 41.69971       45.03133 
1 1 1 -9  1  4  f 1114.61 24.428 264.405 11.531 261.482 16.218  267.393 16.398 1105.60 34.637 1118.03 34.634 -12.42749      48.98190 
1 1 1 -9  1  5  f 1174.10 17.579 292.670 8.7408 292.227 12.302  293.121 12.421 1171.67 24.793 1173.41 24.996 -1.739868      35.20695 
1 1 1 -9  1  6  o 495.405 15.256 52.071  3.2008 52.009  4.4976  52.136  4.5562 494.623 21.471 495.204 21.726 -0.5806885     30.54557 
1 1 1 -9  1  7  o 782.366 15.846 129.882 5.2501 131.001 7.3786  128.734 7.4717 784.935 22.197 778.045 22.676 6.890198       31.73198 
1 1 1 -9  1  8  o 1366.53 18.251 396.488 10.562 382.189 14.853  411.115 15.022 1339.74 26.179 1389.70 25.525 -49.96448      36.56341 
1 1 1 -9  1  9  o 1148.01 17.052 279.705 8.2901 269.515 11.624  290.256 11.827 1125.56 24.385 1168.18 23.907 -42.61438      34.14949 
1 1 1 -9  1  10 o 718.851 17.556 109.674 5.3445 108.867 6.4153  111.504 9.6619 715.825 21.162 722.947 31.558 -7.122009      37.99692 
1 1 1 -9  1  11 o 467.763 16.978 46.430  3.3633 43.344  5.9858  47.853  4.0658 449.683 31.633 474.667 20.226 -24.98389      37.54674 
1 1 1 -9  1  12 o 277.086 17.987 16.364  2.0992 16.855  2.8879  15.814  3.0567 280.451 24.563 271.246 26.967 9.205200       36.47732 
1 1 1 -9  1  13 o 812.008 14.514 139.838 4.9912 145.182 7.0016  134.316 7.1170 826.787 19.997 795.106 21.136 31.68140       29.09663 
1 1 1 -9  1  14 o 756.573 13.820 121.387 4.4281 125.189 6.1269  117.229 6.4071 767.835 18.842 742.846 20.367 24.98920       27.74560 
1 1 1 -9  1  15 o 498.211 11.874 52.621  2.5053 51.785  3.5269  53.472  3.5592 493.940 16.861 501.931 16.744 -7.991119      23.76260 
1 1 1 -9  1  16 o 242.495 29.882 12.738  3.0038 0.0000  0.0000  12.738  3.0038 ?       ?      242.495 29.882 0.000000       29.88227 
1 1 1 -9  1  17 o 601.218 19.236 76.823  4.8976 88.789  6.3935  59.831  7.6191 645.774 23.379 527.374 34.301 118.4001       41.51045 
1 1 1 -9  1  18 o 632.833 29.271 85.593  7.8446 0.0000  0.0000  85.593  7.8446 ?       ?      632.833 29.271 0.000000       29.27107 
1 1 1 -9  1  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  1  20 o 768.337 26.671 126.093 8.6782 0.0000  0.0000  126.093 8.6782 ?       ?      768.337 26.671 0.000000       26.67069 
1 1 1 -9  1  21 o 770.618 25.489 126.827 8.3183 0.0000  0.0000  126.827 8.3183 ?       ?      770.618 25.489 0.000000       25.48889 
1 1 1 -9  1  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  1  23 o 441.955 17.006 41.586  3.1829 0.0000  0.0000  41.586  3.1829 ?       ?      441.955 17.006 0.000000       17.00592 
1 1 1 -9  1  24 o 426.502 12.053 38.646  2.1770 38.347  3.0532  38.955  3.1051 424.153 16.997 427.477 17.152 -3.323914      24.14757 
1 1 1 -9  1  25 f 307.534 12.423 20.109  1.6180 19.779  2.2883  20.440  2.2881 303.818 17.863 308.929 17.561 -5.110840      25.05005 
1 1 1 -9  1  26 o 248.401 19.684 13.298  2.0538 13.298  2.0538  0.0000  0.0000 248.401 19.684 ?       ?      0.000000       19.68446 
1 1 1 -9  1  27 o 369.910 19.834 29.467  3.0958 21.573  4.8055  35.068  4.0477 309.541 37.418 402.159 23.873 -92.61801      44.38542 
1 1 1 -9  1  28 o 245.203 18.647 13.001  1.9218 13.302  3.4576  12.867  2.3117 242.118 34.714 242.702 22.757 -0.5842285     41.50878 
1 1 1 -9  1  29 o 378.152 17.933 30.766  2.8719 28.092  4.9233  32.145  3.5358 353.280 33.301 384.513 21.804 -31.23218      39.80359 
1 1 1 -9  1  30 o 516.694 18.270 57.642  3.9978 51.307  6.8288  60.946  4.9313 475.200 34.161 528.995 22.012 -53.79568      40.63871 
1 1 1 -9  1  31 o 189.197 25.151 8.0235  1.9652 9.6451  2.7346  6.2917  2.8261 204.117 32.742 160.353 41.349 43.76389       52.74306 
1 1 1 -9  2  1  o 1341.59 18.570 382.112 10.550 399.268 14.873  364.734 14.969 1369.75 25.639 1308.81 27.006 60.93457       37.23852 
1 1 1 -9  2  2  o 722.404 16.050 110.730 4.9102 114.707 6.9070  106.666 6.9819 734.577 22.203 708.221 23.279 26.35553       32.16925 
1 1 1 -9  2  3  o 770.790 23.012 126.353 7.5115 122.201 10.564  130.600 10.683 756.281 32.983 781.989 32.259 -25.70807      46.13591 
1 1 1 -9  2  4  o 185.878 24.743 7.4816  1.8993 5.9978  2.6212  9.1219  2.7560 164.047 38.407 204.090 33.015 -40.04320      50.64671 
1 1 1 -9  2  5  o 258.257 15.715 14.205  1.7106 14.409  2.3932  13.991  2.4460 259.410 21.992 255.471 22.849 3.938538       31.71321 
1 1 1 -9  2  6  o 638.352 15.537 86.462  4.2002 88.851  5.8812  83.975  6.0006 646.508 21.481 628.390 22.549 18.11725       31.14280 
1 1 1 -9  2  7  o 709.477 15.609 106.800 4.6897 109.098 6.5563  104.393 6.7109 716.401 21.610 700.654 22.617 15.74731       31.28143 
1 1 1 -9  2  8  o 1352.98 18.139 388.651 10.393 392.860 14.554  384.270 14.847 1358.58 25.295 1343.42 26.096 15.15942       36.34355 
1 1 1 -9  2  9  o 524.049 14.802 58.251  3.2850 57.153  4.5445  59.452  4.7539 518.664 20.690 528.946 21.222 -10.28192      29.63879 
1 1 1 -9  2  10 o 1047.05 18.906 232.764 8.3833 237.060 10.085  223.158 15.080 1056.07 22.551 1021.92 34.844 34.14044       41.50511 
1 1 1 -9  2  11 o 1423.94 26.059 431.500 15.714 0.0000  0.0000  431.500 15.714 ?       ?      1423.94 26.059 0.000000       26.05932 
1 1 1 -9  2  12 o 185.171 14.148 7.3134  1.1011 7.1594  1.5105  7.4878  1.6084 182.546 19.860 186.620 20.700 -4.074356      28.68657 
1 1 1 -9  2  13 o 447.768 14.973 42.526  2.8392 43.127  3.4951  41.361  4.8682 450.729 18.311 440.047 26.243 10.68234       31.99936 
1 1 1 -9  2  14 f 713.098 13.502 107.830 4.0776 103.666 5.5671  112.649 5.9890 698.719 18.814 728.296 19.418 -29.57660      27.03764 
1 1 1 -9  2  15 o 244.558 16.404 12.750  1.6891 14.296  2.0381  9.3603  3.0181 258.779 18.724 206.249 35.856 52.52983       40.45010 
1 1 1 -9  2  16 f 679.959 29.763 98.699  8.5706 0.0000  0.0000  98.699  8.5706 ?       ?      679.959 29.763 0.000000       29.76341 
1 1 1 -9  2  17 o 876.736 19.538 163.390 7.2542 163.941 9.5134  162.624 11.213 877.003 25.615 872.310 30.353 4.692932       39.71653 
1 1 1 -9  2  18 o 744.126 28.011 118.257 8.8270 0.0000  0.0000  118.257 8.8270 ?       ?      744.126 28.011 0.000000       28.01071 
1 1 1 -9  2  19 o 370.823 24.726 29.454  3.8607 0.0000  0.0000  29.454  3.8607 ?       ?      370.823 24.726 0.000000       24.72614 
1 1 1 -9  2  20 o 821.043 26.471 143.970 9.2042 0.0000  0.0000  143.970 9.2042 ?       ?      821.043 26.471 0.000000       26.47126 
1 1 1 -9  2  21 o 1109.00 27.851 263.107 13.080 0.0000  0.0000  263.107 13.080 ?       ?      1109.00 27.851 0.000000       27.85125 
1 1 1 -9  2  22 o 315.186 20.395 21.258  2.7077 0.0000  0.0000  21.258  2.7077 ?       ?      315.186 20.395 0.000000       20.39474 
1 1 1 -9  2  23 o 527.033 16.994 59.140  3.7930 0.0000  0.0000  59.140  3.7930 ?       ?      527.033 16.994 0.000000       16.99427 
1 1 1 -9  2  24 o 647.193 17.932 89.350  4.9148 0.0000  0.0000  89.350  4.9148 ?       ?      647.193 17.932 0.000000       17.93181 
1 1 1 -9  2  25 o 372.661 15.174 29.589  2.3947 33.129  2.7619  18.867  4.8065 394.096 16.549 289.863 40.241 104.2328       43.51084 
1 1 1 -9  2  26 o 442.915 14.419 41.802  2.7046 43.427  3.5061  39.413  4.2503 450.561 18.375 427.211 23.584 23.35031       29.89714 
1 1 1 -9  2  27 o 264.607 17.061 15.043  1.9017 15.241  3.3941  14.953  2.2959 262.028 31.200 262.891 20.792 -0.8628235     37.49340 
1 1 1 -9  2  28 o 327.949 21.095 23.321  2.9143 0.0000  0.0000  23.321  2.9143 ?       ?      327.949 21.095 0.000000       21.09537 
1 1 1 -9  2  29 o 289.965 18.424 18.175  2.2507 13.851  3.7988  20.514  2.7938 244.885 37.851 306.971 21.629 -62.08578      43.59462 
1 1 1 -9  2  30 o 65.408  23.404 0.8106  0.8215 1.4347  1.0944  0.0052  1.2432 82.011  27.103 61.733  26.497 20.27822       37.90312 
1 1 1 -9  2  31 o 248.830 20.456 13.567  2.1365 13.080  3.3579  13.898  2.7695 237.290 34.420 249.014 26.677 -11.72362      43.54753 
1 1 1 -9  3  1  o 1181.48 17.756 296.280 8.8840 293.340 12.467  299.313 12.663 1174.22 25.071 1186.08 25.210 -11.86523      35.55414 
1 1 1 -9  3  2  o 674.109 15.850 96.413  4.5249 95.107  6.3389  97.770  6.4613 668.869 22.378 678.155 22.498 -9.286072      31.73251 
1 1 1 -9  3  3  o 561.661 22.206 67.068  5.2818 69.378  7.4162  64.690  7.5241 569.369 30.872 549.421 32.482 19.94800       44.81269 
1 1 1 -9  3  4  o 342.044 17.817 24.906  2.5719 21.739  4.3794  26.573  3.1775 317.287 33.079 352.939 21.360 -35.65195      39.37598 
1 1 1 -9  3  5  o 383.330 17.479 31.195  2.8375 33.134  3.4699  27.280  4.9299 394.305 20.854 355.797 33.098 38.50787       39.12000 
1 1 1 -9  3  6  o 715.842 15.655 108.729 4.7459 109.941 6.6106  107.439 6.8176 719.140 21.706 710.783 22.649 8.356934       31.37082 
1 1 1 -9  3  7  o 528.711 15.079 59.302  3.3763 60.159  4.6804  58.372  4.8754 532.069 20.771 523.997 21.970 8.071899       30.23483 
1 1 1 -9  3  8  o 1150.87 17.022 281.110 8.2964 278.129 11.513  284.330 11.966 1143.48 23.774 1156.01 24.443 -12.52612      34.09764 
1 1 1 -9  3  9  o 1073.95 16.529 244.741 7.5174 242.530 10.383  247.177 10.898 1068.04 22.956 1078.04 23.871 -10.00391      33.11786 
1 1 1 -9  3  10 o 496.178 19.681 52.282  4.1354 52.282  4.1354  0.0000  0.0000 496.178 19.681 ?       ?      0.000000       19.68071 
1 1 1 -9  3  11 o 627.551 16.438 83.557  4.3687 82.066  6.8910  84.559  5.6491 620.971 26.204 630.890 21.144 -9.919128      33.67046 
1 1 1 -9  3  12 o 225.058 20.781 10.850  1.9582 0.0000  0.0000  10.850  1.9582 ?       ?      225.058 20.781 0.000000       20.78055 
1 1 1 -9  3  13 o 338.871 17.294 24.434  2.4735 23.286  3.2804  25.947  3.7657 330.083 23.624 348.243 25.716 -18.15991      34.91976 
1 1 1 -9  3  14 o 957.350 18.594 194.605 7.5385 187.064 10.052  204.295 11.396 937.518 25.319 979.302 27.478 -41.78320      37.36425 
1 1 1 -9  3  15 o 900.435 18.860 172.201 7.1918 178.624 9.0247  161.023 11.905 916.354 23.255 868.165 32.380 48.18921       39.86551 
1 1 1 -9  3  16 o 201.283 16.181 8.6549  1.3677 7.9180  1.6893  10.057  2.3300 191.828 21.146 215.722 26.031 -23.89429      33.53731 
1 1 1 -9  3  17 o 767.058 23.892 125.311 7.7611 125.311 7.7611  0.0000  0.0000 767.058 23.892 ?       ?      0.000000       23.89197 
1 1 1 -9  3  18 o 420.542 25.071 37.839  4.4447 0.0000  0.0000  37.839  4.4447 ?       ?      420.542 25.071 0.000000       25.07088 
1 1 1 -9  3  19 o 319.736 24.308 21.921  3.2668 0.0000  0.0000  21.921  3.2668 ?       ?      319.736 24.308 0.000000       24.30779 
1 1 1 -9  3  20 o 1150.64 29.253 283.308 14.255 0.0000  0.0000  283.308 14.255 ?       ?      1150.64 29.253 0.000000       29.25334 
1 1 1 -9  3  21 o 780.354 23.966 129.935 7.9202 0.0000  0.0000  129.935 7.9202 ?       ?      780.354 23.966 0.000000       23.96642 
1 1 1 -9  3  22 o 265.336 20.378 15.092  2.2723 0.0000  0.0000  15.092  2.2723 ?       ?      265.336 20.378 0.000000       20.37812 
1 1 1 -9  3  23 o 626.673 21.374 83.892  5.6724 0.0000  0.0000  83.892  5.6724 ?       ?      626.673 21.374 0.000000       21.37397 
1 1 1 -9  3  24 o 272.908 31.321 16.326  3.5543 0.0000  0.0000  16.326  3.5543 ?       ?      272.908 31.321 0.000000       31.32093 
1 1 1 -9  3  25 o 345.235 16.608 25.426  2.4282 25.220  3.8750  25.559  3.1158 340.738 27.077 344.645 21.454 -3.907104      34.54644 
1 1 1 -9  3  26 o 161.903 16.905 5.6581  1.1420 6.2144  1.4244  4.6573  1.9107 169.084 20.298 143.351 32.253 25.73239       38.10865 
1 1 1 -9  3  27 o 216.084 15.314 10.021  1.3923 11.563  2.0096  8.5975  1.9309 230.966 20.767 198.204 23.459 32.76198       31.33045 
1 1 1 -9  3  28 o 209.827 18.113 9.5288  1.5938 7.2283  2.6716  10.800  1.9858 176.487 36.930 222.589 21.328 -46.10210      42.64640 
1 1 1 -9  3  29 o 537.835 21.155 62.632  4.8185 0.0000  0.0000  62.632  4.8185 ?       ?      537.835 21.155 0.000000       21.15543 
1 1 1 -9  3  30 o 78.176  26.729 1.2606  1.0638 1.7376  1.3674  0.5296  1.6929 90.193  30.308 77.192  31.884 13.00081       43.99051 
1 1 1 -9  3  31 o 139.723 26.043 4.4462  1.4843 4.1030  2.2372  4.7160  1.9838 130.953 38.066 141.288 33.639 -10.33458      50.80003 
1 1 1 -9  4  1  o 810.091 16.259 139.232 5.5779 140.426 7.8094  137.988 7.9698 812.797 22.688 805.621 23.360 7.176453       32.56404 
1 1 1 -9  4  2  o 571.664 15.651 69.331  3.7889 67.144  5.2931  71.629  5.4261 562.030 22.238 580.513 22.072 -18.48383      31.33215 
1 1 1 -9  4  3  o 892.261 18.934 169.065 7.1545 163.548 8.6738  180.807 12.655 876.923 23.356 920.152 32.475 -43.22858      40.00201 
1 1 1 -9  4  4  o 1084.24 24.528 250.160 11.262 0.0000  0.0000  250.160 11.262 ?       ?      1084.24 24.528 0.000000       24.52819 
1 1 1 -9  4  5  o 1042.89 23.571 231.367 10.410 231.367 10.410  0.0000  0.0000 1042.89 23.571 ?       ?      0.000000       23.57061 
1 1 1 -9  4  6  o 916.959 16.258 178.429 6.3133 181.699 8.7812  174.930 9.0832 924.408 22.431 906.817 23.652 17.59094       32.59723 
1 1 1 -9  4  7  o 414.240 14.818 36.400  2.5995 37.989  3.5920  34.652  3.7668 422.871 20.058 403.126 22.149 19.74466       29.88118 
1 1 1 -9  4  8  o 847.678 15.683 152.450 5.6298 154.553 7.7662  150.121 8.1728 852.771 21.505 840.238 22.968 12.53241       31.46411 
1 1 1 -9  4  9  o 299.090 16.681 19.041  2.1045 18.711  3.3490  19.257  2.7053 295.207 27.091 300.281 21.414 -5.073914      34.53208 
1 1 1 -9  4  10 o 675.922 20.083 97.033  5.7488 99.876  7.6203  93.278  8.7578 685.017 26.268 661.295 31.272 23.72229       40.84053 
1 1 1 -9  4  11 o 446.390 15.870 42.272  3.0001 39.591  4.6727  44.152  3.9131 430.594 25.743 455.941 20.266 -25.34717      32.76291 
1 1 1 -9  4  12 o 813.025 16.830 140.260 5.7947 140.335 9.0834  140.209 7.5248 811.995 26.415 812.288 21.875 -0.2929688     34.29649 
1 1 1 -9  4  13 o 1089.33 23.112 252.292 10.662 0.0000  0.0000  252.292 10.662 ?       ?      1089.33 23.112 0.000000       23.11248 
1 1 1 -9  4  14 o 568.332 16.572 68.546  3.9885 66.864  5.1196  71.142  6.3618 560.890 21.553 578.064 25.987 -17.17419      33.76224 
1 1 1 -9  4  15 o 571.847 20.481 69.493  4.9599 69.493  4.9599  0.0000  0.0000 571.847 20.481 ?       ?      0.000000       20.48095 
1 1 1 -9  4  16 o 434.917 15.889 40.147  2.9265 40.580  3.6761  39.398  4.8358 436.965 19.865 429.094 26.745 7.871399       33.31544 
1 1 1 -9  4  17 o 649.191 22.770 89.716  6.2599 89.716  6.2599  0.0000  0.0000 649.191 22.770 ?       ?      0.000000       22.76951 
1 1 1 -9  4  18 o 253.554 17.848 13.728  1.9042 14.118  2.7746  13.381  2.6181 255.974 25.954 249.268 25.145 6.706024       36.13710 
1 1 1 -9  4  19 o 303.832 24.064 19.802  3.0709 0.0000  0.0000  19.802  3.0709 ?       ?      303.832 24.064 0.000000       24.06367 
1 1 1 -9  4  20 o 583.554 23.563 72.605  5.8232 0.0000  0.0000  72.605  5.8232 ?       ?      583.554 23.563 0.000000       23.56346 
1 1 1 -9  4  21 o 905.879 24.730 175.199 9.4871 0.0000  0.0000  175.199 9.4871 ?       ?      905.879 24.730 0.000000       24.72981 
1 1 1 -9  4  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  4  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  4  24 o 207.020 22.179 9.2812  1.9142 0.0000  0.0000  9.2812  1.9142 ?       ?      207.020 22.179 0.000000       22.17863 
1 1 1 -9  4  25 o 349.533 16.143 26.054  2.3896 26.996  3.6333  25.336  3.1723 353.388 24.428 342.980 21.956 10.40817       32.84438 
1 1 1 -9  4  26 o 528.275 13.170 59.410  2.9463 66.775  4.2918  52.845  4.0520 558.726 18.138 496.726 19.262 62.00012       26.45820 
1 1 1 -9  4  27 o 105.911 22.912 2.5116  0.9978 1.4234  1.5067  3.3617  1.3316 87.357  31.641 122.163 26.501 -34.80603      41.27334 
1 1 1 -9  4  28 o 191.933 18.983 8.0029  1.5228 7.9499  2.4330  8.0370  1.9525 187.199 31.829 190.695 24.761 -3.496048      40.32629 
1 1 1 -9  4  29 o 247.249 34.359 13.929  3.5004 0.0000  0.0000  13.929  3.5004 ?       ?      247.249 34.359 0.000000       34.35880 
1 1 1 -9  4  30 o 240.870 19.061 12.627  1.9285 11.088  3.0901  13.610  2.4681 219.037 34.450 248.305 23.761 -29.26817      41.84959 
1 1 1 -9  4  31 o 175.633 21.718 6.8346  1.5809 7.6702  2.4287  6.2201  2.0825 181.493 32.806 163.748 31.170 17.74527       45.25251 
1 1 1 -9  5  1  o 839.286 16.314 149.447 5.7986 154.437 8.1289  144.276 8.2739 852.430 22.518 823.742 23.718 28.68793       32.70467 
1 1 1 -9  5  2  o 930.747 16.579 183.820 6.5347 180.084 9.1396  187.729 9.3468 920.267 23.451 939.590 23.490 -19.32318      33.19261 
1 1 1 -9  5  3  f 580.161 17.858 71.451  4.3876 67.027  5.2976  81.116  7.8295 561.517 22.278 616.736 29.977 -55.21851      37.34873 
1 1 1 -9  5  4  o 332.214 22.469 23.571  3.1426 0.0000  0.0000  23.571  3.1426 ?       ?      332.214 22.469 0.000000       22.46944 
1 1 1 -9  5  5  o 372.629 21.067 29.601  3.3108 29.601  3.3108  0.0000  0.0000 372.629 21.067 ?       ?      0.000000       21.06673 
1 1 1 -9  5  6  f 385.253 17.219 31.503  2.8093 31.436  4.6025  31.543  3.5466 382.986 28.583 384.599 21.865 -1.612366      35.98696 
1 1 1 -9  5  7  o 949.378 18.480 191.375 7.4301 185.000 12.178  195.156 9.3776 931.144 30.884 957.967 23.115 -26.82373      38.57602 
1 1 1 -9  5  8  o 812.088 17.694 139.987 6.0852 140.510 9.8545  139.665 7.7364 811.987 28.658 810.533 22.538 1.453674       36.45881 
1 1 1 -9  5  9  o 477.609 16.422 48.401  3.3215 49.608  5.2699  47.605  4.2783 482.106 25.907 473.333 21.343 8.773193       33.56633 
1 1 1 -9  5  10 o 991.492 21.734 208.892 9.1257 218.326 12.235  197.064 13.700 1012.34 28.539 960.648 33.676 51.69495       44.14250 
1 1 1 -9  5  11 o 726.431 16.706 111.969 5.1395 111.612 8.0515  112.215 6.6768 724.174 26.254 726.714 21.695 -2.540161      34.05779 
1 1 1 -9  5  12 o 1931.40 23.788 793.221 19.457 784.058 31.894  798.652 24.556 1913.21 39.364 1935.61 29.956 -22.39990      49.46643 
1 1 1 -9  5  13 o 1141.42 23.431 277.040 11.326 0.0000  0.0000  277.040 11.326 ?       ?      1141.42 23.431 0.000000       23.43087 
1 1 1 -9  5  14 o 502.467 19.528 53.627  4.1553 0.0000  0.0000  53.627  4.1553 ?       ?      502.467 19.528 0.000000       19.52774 
1 1 1 -9  5  15 o 1519.30 23.397 491.108 15.054 490.769 19.972  491.555 22.908 1516.00 31.108 1515.20 35.701 0.8048096      47.35287 
1 1 1 -9  5  16 o 460.526 20.172 45.082  3.9341 45.082  3.9341  0.0000  0.0000 460.526 20.172 ?       ?      0.000000       20.17186 
1 1 1 -9  5  17 o 1114.99 27.001 265.241 12.750 265.241 12.750  0.0000  0.0000 1114.99 27.001 ?       ?      0.000000       27.00133 
1 1 1 -9  5  18 f 400.557 24.557 34.330  4.1456 34.330  4.1456  0.0000  0.0000 400.557 24.557 ?       ?      0.000000       24.55726 
1 1 1 -9  5  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  5  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  5  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  5  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  5  23 o 450.110 20.409 43.257  3.8904 0.0000  0.0000  43.257  3.8904 ?       ?      450.110 20.409 0.000000       20.40933 
1 1 1 -9  5  24 o 451.500 20.963 43.620  4.0083 0.0000  0.0000  43.620  4.0083 ?       ?      451.500 20.963 0.000000       20.96346 
1 1 1 -9  5  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  5  26 o 370.706 16.430 29.345  2.5793 30.397  3.8815  28.513  3.4517 374.582 24.605 363.408 22.540 11.17410       33.36839 
1 1 1 -9  5  27 o 452.930 15.491 43.837  2.9713 42.166  5.0919  44.700  3.6588 439.144 27.519 456.344 18.932 -17.19946      33.40215 
1 1 1 -9  5  28 o 259.071 16.773 14.456  1.8304 16.231  2.9957  13.398  2.3122 271.336 26.405 247.766 22.274 23.56975       34.54504 
1 1 1 -9  5  29 o 274.166 33.487 17.032  3.8072 0.0000  0.0000  17.032  3.8072 ?       ?      274.166 33.487 0.000000       33.48669 
1 1 1 -9  5  30 o 228.619 18.807 11.378  1.8047 10.658  2.8727  11.848  2.3196 215.559 32.477 231.372 24.023 -15.81358      40.39643 
1 1 1 -9  5  31 o 251.734 18.853 13.819  1.9953 12.821  3.1465  14.491  2.5805 235.967 32.338 255.502 24.134 -19.53484      40.35099 
1 1 1 -9  6  1  o 1210.06 20.494 310.995 10.502 303.819 17.885  314.772 12.975 1192.42 35.418 1216.44 25.186 -24.02100      43.46029 
1 1 1 -9  6  2  o 496.423 17.901 52.308  3.7633 48.258  6.2800  54.578  4.7008 474.607 31.423 506.774 21.903 -32.16721      38.30342 
1 1 1 -9  6  3  o 619.870 21.873 81.665  5.7417 81.616  7.9406  81.718  8.3123 618.626 30.310 617.982 31.870 0.6438599      43.98150 
1 1 1 -9  6  4  o 1154.91 24.738 283.807 12.099 0.0000  0.0000  283.807 12.099 ?       ?      1154.91 24.738 0.000000       24.73800 
1 1 1 -9  6  5  o 1152.56 19.727 282.162 9.6286 284.289 16.100  280.977 12.014 1153.68 32.953 1149.12 24.687 4.555420       41.17480 
1 1 1 -9  6  6  o 585.668 20.720 72.880  5.1390 70.367  6.9508  75.911  7.6323 574.592 28.565 595.794 30.350 -21.20227      41.67801 
1 1 1 -9  6  7  o 698.853 17.349 103.662 5.1346 100.934 8.3449  105.324 6.5135 688.185 28.633 703.943 21.849 -15.75775      36.01740 
1 1 1 -9  6  8  o 1099.79 18.946 256.827 8.8242 262.885 14.382  253.169 11.175 1110.22 30.589 1090.98 24.187 19.23645       38.99629 
1 1 1 -9  6  9  o 847.138 17.502 152.309 6.2789 152.896 9.9991  151.926 8.0679 847.274 27.867 845.434 22.534 1.839905       35.83802 
1 1 1 -9  6  10 o 775.912 20.231 127.868 6.6477 127.665 8.8523  128.130 10.067 774.379 26.993 775.180 30.666 -0.8010254     40.85393 
1 1 1 -9  6  11 o 278.952 15.934 16.561  1.8746 16.047  2.9130  16.925  2.4490 273.470 25.445 281.523 20.687 -8.052460      32.79271 
1 1 1 -9  6  12 o 567.122 15.621 68.229  3.7517 69.095  5.7379  67.581  4.9585 570.023 23.769 564.028 20.759 5.995972       31.55797 
1 1 1 -9  6  13 f 823.506 15.873 143.880 5.5355 139.013 8.3219  147.742 7.4134 808.390 24.308 833.871 20.993 -25.48126      32.11864 
1 1 1 -9  6  14 o 551.935 14.368 64.615  3.3583 65.268  4.8828  64.028  4.6264 554.198 20.805 548.994 19.899 5.204102       28.78893 
1 1 1 -9  6  15 o 481.585 16.434 49.227  3.3516 0.0000  0.0000  49.227  3.3516 ?       ?      481.585 16.434 0.000000       16.43379 
1 1 1 -9  6  16 o 515.111 25.272 56.533  5.5129 0.0000  0.0000  56.533  5.5129 ?       ?      515.111 25.272 0.000000       25.27184 
1 1 1 -9  6  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  6  18 o 683.971 17.702 99.412  5.1274 98.641  7.1762  100.215 7.3287 680.129 24.915 685.469 25.246 -5.339233      35.47015 
1 1 1 -9  6  19 o 771.665 25.242 127.059 8.2489 0.0000  0.0000  127.059 8.2489 ?       ?      771.665 25.242 0.000000       25.24190 
1 1 1 -9  6  20 o 1092.17 27.222 254.947 12.591 0.0000  0.0000  254.947 12.591 ?       ?      1092.17 27.222 0.000000       27.22191 
1 1 1 -9  6  21 o 318.208 21.206 21.669  2.8414 0.0000  0.0000  21.669  2.8414 ?       ?      318.208 21.206 0.000000       21.20631 
1 1 1 -9  6  22 f 431.388 20.536 39.683  3.7517 0.0000  0.0000  39.683  3.7517 ?       ?      431.388 20.536 0.000000       20.53596 
1 1 1 -9  6  23 o 254.318 21.037 13.911  2.2453 0.0000  0.0000  13.911  2.2453 ?       ?      254.318 21.037 0.000000       21.03673 
1 1 1 -9  6  24 o 344.613 21.022 25.509  3.0533 0.0000  0.0000  25.509  3.0533 ?       ?      344.613 21.022 0.000000       21.02220 
1 1 1 -9  6  25 o 248.678 22.730 13.390  2.3673 0.0000  0.0000  13.390  2.3673 ?       ?      248.678 22.730 0.000000       22.73017 
1 1 1 -9  6  26 o 462.387 16.320 45.656  3.1957 47.814  4.7659  43.893  4.3074 470.312 24.009 451.655 22.520 18.65683       32.91751 
1 1 1 -9  6  27 o 195.626 19.548 8.3022  1.5978 7.2581  2.1646  9.5523  2.3684 180.029 29.407 207.672 27.614 -27.64343      40.33981 
1 1 1 -9  6  28 o 274.264 16.142 16.178  1.8665 19.556  3.0083  14.063  2.3801 298.992 23.960 253.806 22.372 45.18568       32.78111 
1 1 1 -9  6  29 o 389.411 20.830 32.920  3.4227 0.0000  0.0000  32.920  3.4227 ?       ?      389.411 20.830 0.000000       20.83035 
1 1 1 -9  6  30 o 165.277 24.229 6.1070  1.6455 6.8584  2.1475  5.0385  2.5608 172.909 30.439 144.635 40.305 28.27342       50.50757 
1 1 1 -9  6  31 o 102.162 27.929 2.4071  1.2430 2.6722  1.6149  2.0218  1.9470 107.529 32.618 99.299  35.968 8.230209       48.55587 
1 1 1 -9  7  1  f 682.562 18.234 98.884  5.2708 101.466 8.9230  97.500  6.5322 689.943 30.539 677.320 22.773 12.62317       38.09512 
1 1 1 -9  7  2  o 570.296 17.891 69.031  4.3209 68.519  7.2851  69.309  5.3667 566.095 30.501 571.078 22.191 -4.982178      37.71878 
1 1 1 -9  7  3  f 482.380 21.173 49.440  4.3253 43.773  5.9009  56.020  6.3584 451.971 31.017 511.827 29.459 -59.85632      42.77723 
1 1 1 -9  7  4  o 772.866 18.015 126.801 5.8963 125.882 9.7982  127.322 7.3827 768.322 30.113 773.902 22.526 -5.580322      37.60647 
1 1 1 -9  7  5  o 771.659 22.413 126.585 7.3242 0.0000  0.0000  126.585 7.3242 ?       ?      771.659 22.413 0.000000       22.41257 
1 1 1 -9  7  6  f 476.036 20.287 48.139  4.0898 45.750  5.5056  51.081  6.1089 462.527 28.243 488.589 29.664 -26.06152      40.95914 
1 1 1 -9  7  7  o 605.888 16.929 77.905  4.3437 81.468  7.0196  75.694  5.5295 618.556 26.797 596.784 21.879 21.77191       34.59429 
1 1 1 -9  7  8  f 633.608 16.653 85.187  4.4684 77.337  7.0989  90.338  5.7505 602.574 27.819 652.096 20.823 -49.52234      34.74914 
1 1 1 -9  7  9  o 825.500 17.259 144.616 6.0337 144.674 9.6143  144.579 7.7499 824.246 27.543 824.792 22.188 -0.5462036     35.36843 
1 1 1 -9  7  10 o 812.039 17.001 139.926 5.8466 137.990 9.2792  141.201 7.5292 805.053 27.217 815.164 21.810 -10.11108      34.87771 
1 1 1 -9  7  11 o 807.956 16.645 138.510 5.6952 126.885 8.9729  146.353 7.3701 771.945 27.447 830.016 20.967 -58.07098      34.53955 
1 1 1 -9  7  12 o 1425.03 19.704 431.271 11.891 416.365 18.984  440.896 15.255 1396.78 32.093 1439.55 25.023 -42.76306      40.69546 
1 1 1 -9  7  13 o 702.815 15.195 104.783 4.5225 97.143  6.7251  111.091 6.1105 675.848 23.497 723.179 19.952 -47.33087      30.82475 
1 1 1 -9  7  14 o 470.352 14.023 46.922  2.7933 44.846  4.0471  48.811  3.8601 459.373 20.804 479.393 19.013 -20.01978      28.18337 
1 1 1 -9  7  15 o 1496.41 22.840 476.395 14.474 468.120 19.416  486.745 21.714 1480.44 30.970 1508.27 33.996 -27.83105      45.98729 
1 1 1 -9  7  16 o 819.265 17.767 142.566 6.1641 155.860 8.1132  124.414 9.4804 855.828 22.385 763.285 29.329 92.54291       36.89569 
1 1 1 -9  7  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  7  18 o 261.800 24.300 14.735  2.6634 0.0000  0.0000  14.735  2.6634 ?       ?      261.800 24.300 0.000000       24.30020 
1 1 1 -9  7  19 o 630.300 23.540 84.691  6.2835 0.0000  0.0000  84.691  6.2835 ?       ?      630.300 23.540 0.000000       23.54012 
1 1 1 -9  7  20 o 722.333 23.243 111.248 7.1102 0.0000  0.0000  111.248 7.1102 ?       ?      722.333 23.243 0.000000       23.24340 
1 1 1 -9  7  21 o 657.145 22.084 92.078  6.1460 0.0000  0.0000  92.078  6.1460 ?       ?      657.145 22.084 0.000000       22.08445 
1 1 1 -9  7  22 o 305.877 20.661 20.046  2.6607 0.0000  0.0000  20.046  2.6607 ?       ?      305.877 20.661 0.000000       20.66147 
1 1 1 -9  7  23 o 730.399 22.448 114.164 6.9436 0.0000  0.0000  114.164 6.9436 ?       ?      730.399 22.448 0.000000       22.44820 
1 1 1 -9  7  24 o 455.106 21.115 44.345  4.0695 0.0000  0.0000  44.345  4.0695 ?       ?      455.106 21.115 0.000000       21.11464 
1 1 1 -9  7  25 o 433.234 21.938 40.388  4.0119 0.0000  0.0000  40.388  4.0119 ?       ?      433.234 21.938 0.000000       21.93844 
1 1 1 -9  7  26 o 531.747 16.409 60.397  3.6951 59.313  5.4098  61.346  5.0592 524.212 24.369 533.915 22.375 -9.703552      33.08284 
1 1 1 -9  7  27 o 426.574 16.905 38.972  3.0539 40.731  4.4236  37.370  4.2211 432.891 24.227 414.632 24.144 18.25848       34.20350 
1 1 1 -9  7  28 o 557.337 17.917 66.786  4.2288 66.599  6.1054  66.959  5.8628 551.864 26.124 554.104 24.985 -2.239624      36.14808 
1 1 1 -9  7  29 o 214.422 26.303 10.223  2.3384 0.0000  0.0000  10.223  2.3384 ?       ?      214.422 26.303 0.000000       26.30282 
1 1 1 -9  7  30 o 337.518 20.392 24.841  2.9011 30.206  3.7895  17.244  4.5091 370.107 24.313 269.434 40.794 100.6726       47.48993 
1 1 1 -9  7  31 o 239.368 21.345 12.610  2.1411 13.620  2.7533  11.065  3.4054 246.225 26.840 215.109 38.810 31.11594       47.18704 
1 1 1 -9  8  1  o 430.478 17.700 39.326  3.2267 44.407  5.4672  36.610  3.9971 455.775 28.468 414.418 22.864 41.35703       36.51233 
1 1 1 -9  8  2  o 593.560 17.707 74.771  4.4510 76.710  7.4431  73.691  5.5534 600.023 29.292 588.871 22.269 11.15204       36.79518 
1 1 1 -9  8  3  o 439.163 21.073 40.974  3.9193 40.572  5.3566  41.437  5.7496 435.379 29.222 439.708 31.077 -4.329285      42.65752 
1 1 1 -9  8  4  o 893.643 18.353 169.534 6.9458 175.543 11.515  166.097 8.7084 907.405 29.966 883.850 23.266 23.55487       37.93724 
1 1 1 -9  8  5  o 816.559 22.509 141.736 7.7837 0.0000  0.0000  141.736 7.7837 ?       ?      816.559 22.509 0.000000       22.50900 
1 1 1 -9  8  6  o 632.558 17.111 84.917  4.5837 92.266  7.4936  80.523  5.7940 658.279 26.880 615.500 22.228 42.77881       34.88058 
1 1 1 -9  8  7  o 488.038 20.018 50.588  4.1374 53.863  5.5231  46.399  6.2455 502.397 26.049 465.243 31.891 37.15381       41.17746 
1 1 1 -9  8  8  o 423.764 16.239 38.100  2.9143 41.799  4.6165  35.649  3.7577 442.601 24.728 409.011 21.772 33.58917       32.94734 
1 1 1 -9  8  9  o 1248.68 19.313 331.075 10.213 322.019 16.624  336.565 12.944 1228.53 31.952 1257.98 24.297 -29.44836      40.14064 
1 1 1 -9  8  10 o 532.744 15.840 60.209  3.5737 59.242  5.6355  60.859  4.6219 527.699 25.218 535.284 20.389 -7.585083      32.42900 
1 1 1 -9  8  11 o 641.599 18.558 87.391  5.0424 85.540  6.7410  89.741  7.5977 634.091 25.103 649.151 27.637 -15.06055      37.33612 
1 1 1 -9  8  12 o 1454.58 19.951 449.387 12.290 455.216 19.640  445.635 15.756 1460.55 31.753 1447.03 25.711 13.52405       40.85716 
1 1 1 -9  8  13 o 582.135 14.771 71.883  3.6415 74.745  5.4224  69.533  4.9147 593.013 21.591 572.091 20.286 20.92163       29.62597 
1 1 1 -9  8  14 o 547.415 12.186 63.533  2.8251 61.193  4.8129  64.764  3.4895 536.545 21.182 552.514 14.913 -15.96960      25.90497 
1 1 1 -9  8  15 o 398.047 15.500 33.624  2.6128 33.327  3.3555  34.082  4.1640 395.479 20.101 399.304 24.746 -3.825165      31.88173 
1 1 1 -9  8  16 o 580.036 25.253 71.700  6.2031 0.0000  0.0000  71.700  6.2031 ?       ?      580.036 25.253 0.000000       25.25302 
1 1 1 -9  8  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  8  18 o 454.757 23.812 44.200  4.5698 0.0000  0.0000  44.200  4.5698 ?       ?      454.757 23.812 0.000000       23.81179 
1 1 1 -9  8  19 o 528.810 17.073 59.425  3.8234 60.769  5.8035  58.395  5.0821 533.547 25.685 523.455 22.926 10.09210       34.42796 
1 1 1 -9  8  20 f 407.546 21.574 35.481  3.7103 0.0000  0.0000  35.481  3.7103 ?       ?      407.546 21.574 0.000000       21.57439 
1 1 1 -9  8  21 o 742.933 22.795 117.768 7.1719 0.0000  0.0000  117.768 7.1719 ?       ?      742.933 22.795 0.000000       22.79502 
1 1 1 -9  8  22 o 354.139 20.717 26.849  3.0935 0.0000  0.0000  26.849  3.0935 ?       ?      354.139 20.717 0.000000       20.71709 
1 1 1 -9  8  23 o 830.638 23.449 147.842 8.2487 0.0000  0.0000  147.842 8.2487 ?       ?      830.638 23.449 0.000000       23.44941 
1 1 1 -9  8  24 o 419.415 21.149 37.766  3.7444 0.0000  0.0000  37.766  3.7444 ?       ?      419.415 21.149 0.000000       21.14898 
1 1 1 -9  8  25 o 464.780 21.928 46.382  4.3161 0.0000  0.0000  46.382  4.3161 ?       ?      464.780 21.928 0.000000       21.92800 
1 1 1 -9  8  26 o 244.896 16.111 12.863  1.6615 11.834  2.2955  13.996  2.4080 233.125 23.575 253.980 22.625 -20.85533      32.67542 
1 1 1 -9  8  27 f 158.309 19.885 5.4735  1.3037 4.6735  1.7154  6.5676  2.0061 143.662 29.191 171.137 28.695 -27.47504      40.93311 
1 1 1 -9  8  28 o 529.373 17.673 60.240  3.9619 60.224  5.6731  60.256  5.5354 525.059 25.513 525.599 24.869 -0.5405884     35.62836 
1 1 1 -9  8  29 o 107.046 39.477 2.2438  2.3605 0.0000  0.0000  2.2438  2.3605 ?       ?      107.046 39.477 0.000000       39.47720 
1 1 1 -9  8  30 o 167.475 29.435 6.4250  2.0114 6.4250  2.0114  0.0000  0.0000 167.475 29.435 ?       ?      0.000000       29.43475 
1 1 1 -9  8  31 f 409.036 20.332 36.466  3.5220 30.966  4.6116  44.164  5.4557 370.063 29.676 442.646 29.269 -72.58286      41.68133 
1 1 1 -9  9  1  o 1099.91 19.631 256.862 9.1442 251.593 15.440  259.708 11.348 1085.76 33.580 1105.21 24.246 -19.44653      41.41855 
1 1 1 -9  9  2  o 437.620 17.381 40.639  3.2211 38.553  5.3571  41.821  4.0312 424.291 30.008 443.685 21.454 -19.39352      36.88834 
1 1 1 -9  9  3  o 582.938 17.367 72.114  4.2874 77.330  7.0967  69.115  5.3803 602.616 27.808 570.285 22.278 32.33063       35.63115 
1 1 1 -9  9  4  o 975.946 22.472 202.441 9.2879 198.059 12.716  207.453 13.599 963.659 31.158 985.919 32.570 -22.25903      45.07357 
1 1 1 -9  9  5  o 1050.53 18.774 234.303 8.3522 229.806 13.788  236.910 10.497 1037.94 31.369 1055.56 23.483 -17.62915      39.18466 
1 1 1 -9  9  6  o 601.737 21.330 76.933  5.4356 0.0000  0.0000  76.933  5.4356 ?       ?      601.737 21.330 0.000000       21.33045 
1 1 1 -9  9  7  o 311.339 19.952 20.670  2.6169 22.496  3.5293  18.440  3.9000 324.105 25.931 292.275 32.034 31.83051       41.21346 
1 1 1 -9  9  8  o 1090.29 33.664 253.842 15.544 0.0000  0.0000  253.842 15.544 ?       ?      1090.29 33.664 0.000000       33.66386 
1 1 1 -9  9  9  o 573.695 16.063 69.825  3.9026 66.820  6.2036  71.793  5.0204 560.330 26.143 581.382 20.391 -21.05237      33.15493 
1 1 1 -9  9  10 o 351.386 15.627 26.192  2.3254 28.521  3.7095  24.684  2.9847 365.434 24.105 340.254 20.813 25.18063       31.84715 
1 1 1 -9  9  11 o 674.325 18.488 96.535  5.2797 97.553  7.0575  95.240  7.9564 677.194 24.609 668.650 28.098 8.543579       37.35101 
1 1 1 -9  9  12 o 1492.19 19.928 472.953 12.593 467.965 20.189  476.130 16.112 1480.60 32.198 1495.73 25.435 -15.13586      41.03289 
1 1 1 -9  9  13 o 200.423 15.056 8.5696  1.2686 10.049  1.9191  7.4215  1.6907 216.416 21.212 185.567 21.938 30.84912       30.51625 
1 1 1 -9  9  14 o 611.657 12.297 79.325  3.1854 83.506  5.5558  77.277  3.8878 626.776 20.931 603.498 15.212 23.27747       25.87489 
1 1 1 -9  9  15 o 584.252 16.207 72.461  4.0101 75.974  5.1880  67.247  6.3205 597.799 20.493 561.652 26.573 36.14661       33.55718 
1 1 1 -9  9  16 f 175.014 16.162 6.5584  1.1843 0.0000  0.0000  6.5584  1.1843 ?       ?      175.014 16.162 0.000000       16.16198 
1 1 1 -9  9  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  9  18 o 489.007 23.395 50.966  4.8448 0.0000  0.0000  50.966  4.8448 ?       ?      489.007 23.395 0.000000       23.39472 
1 1 1 -9  9  19 o 667.123 17.373 94.593  4.9083 97.427  7.3592  92.322  6.5875 675.531 25.724 658.015 23.640 17.51611       34.93653 
1 1 1 -9  9  20 o 732.046 23.186 114.287 7.1880 0.0000  0.0000  114.287 7.1880 ?       ?      732.046 23.186 0.000000       23.18587 
1 1 1 -9  9  21 o 428.445 21.040 39.132  3.8176 0.0000  0.0000  39.132  3.8176 ?       ?      428.445 21.040 0.000000       21.04029 
1 1 1 -9  9  22 o 516.543 21.137 56.966  4.6238 0.0000  0.0000  56.966  4.6238 ?       ?      516.543 21.137 0.000000       21.13733 
1 1 1 -9  9  23 o 131.177 26.931 3.8336  1.4460 0.0000  0.0000  3.8336  1.4460 ?       ?      131.177 26.931 0.000000       26.93129 
1 1 1 -9  9  24 o 378.866 21.319 30.851  3.4066 0.0000  0.0000  30.851  3.4066 ?       ?      378.866 21.319 0.000000       21.31856 
1 1 1 -9  9  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  9  26 f 124.418 19.519 3.3975  0.9946 3.2100  1.2450  3.7283  1.6535 119.643 25.360 128.137 30.842 -8.493370      39.92944 
1 1 1 -9  9  27 o 199.962 18.540 8.6611  1.5521 8.7757  2.0323  8.5006  2.4045 199.640 24.555 194.599 30.152 5.041016       38.88585 
1 1 1 -9  9  28 o 429.232 17.256 39.585  3.1368 38.667  4.4277  40.511  4.4445 420.223 24.993 430.444 24.483 -10.22134      34.98658 
1 1 1 -9  9  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  9  30 o 434.246 26.006 41.848  4.7604 41.848  4.7604  0.0000  0.0000 434.246 26.006 ?       ?      0.000000       26.00580 
1 1 1 -9  9  31 o 234.139 21.846 12.097  2.1411 13.234  2.5794  9.5774  3.8396 243.305 25.409 194.488 47.114 48.81671       53.52897 
1 1 1 -9  10 1  o 260.150 18.522 14.437  2.0273 12.305  3.3195  15.705  2.5602 237.780 33.927 270.936 22.517 -33.15584      40.71923 
1 1 1 -9  10 2  f 877.737 18.316 163.523 6.8083 169.044 11.368  160.436 8.5013 890.622 30.142 868.801 23.106 21.82141       37.97889 
1 1 1 -9  10 3  o 474.019 17.072 47.678  3.4270 46.422  5.6302  48.418  4.3194 465.974 28.670 477.396 21.365 -11.42270      35.75531 
1 1 1 -9  10 4  o 404.752 20.476 34.884  3.4984 35.523  4.7838  34.150  5.1291 407.486 27.889 399.081 30.581 8.405518       41.38840 
1 1 1 -9  10 5  o 317.723 17.032 21.482  2.2834 17.249  3.7020  24.082  2.9010 282.673 31.458 336.099 20.479 -53.42575      37.53680 
1 1 1 -9  10 6  o 462.951 20.943 45.530  4.1060 0.0000  0.0000  45.530  4.1060 ?       ?      462.951 20.943 0.000000       20.94326 
1 1 1 -9  10 7  f 901.709 22.404 172.810 8.5551 0.0000  0.0000  172.810 8.5551 ?       ?      901.709 22.404 0.000000       22.40355 
1 1 1 -9  10 8  o 247.448 20.544 13.095  2.1334 13.689  2.8311  12.314  3.2454 252.171 26.927 237.960 33.101 14.21080       42.66985 
1 1 1 -9  10 9  o 505.107 15.865 54.124  3.3936 56.618  5.4008  52.497  4.3624 515.926 24.719 497.129 20.721 18.79636       32.25493 
1 1 1 -9  10 10 o 493.293 15.475 51.619  3.2328 47.267  5.0871  54.567  4.1869 470.616 25.621 506.913 19.504 -36.29709      32.19983 
1 1 1 -9  10 11 o 835.767 16.116 148.203 5.7041 140.373 8.9275  153.605 7.4151 812.089 25.959 850.321 20.592 -38.23199      33.13408 
1 1 1 -9  10 12 o 296.724 16.845 18.746  2.1080 18.771  2.7738  18.711  3.2432 296.319 22.267 295.307 26.206 1.012360       34.38834 
1 1 1 -9  10 13 o 342.881 14.164 24.937  2.0567 27.650  3.0507  22.676  2.7848 360.191 20.080 326.055 20.268 34.13559       28.53034 
1 1 1 -9  10 14 o 525.406 11.874 58.527  2.6420 58.184  4.6387  58.692  3.2143 523.157 20.937 525.984 14.430 -2.827393      25.42836 
1 1 1 -9  10 15 o 553.055 16.004 64.930  3.7483 65.717  4.8625  63.777  5.8843 555.932 20.654 547.077 25.398 8.855164       32.73590 
1 1 1 -9  10 16 o 243.483 13.684 12.618  1.4053 0.0000  0.0000  12.618  1.4053 ?       ?      243.483 13.684 0.000000       13.68413 
1 1 1 -9  10 17 o 340.918 16.750 24.689  2.4182 0.0000  0.0000  24.689  2.4182 ?       ?      340.918 16.750 0.000000       16.74953 
1 1 1 -9  10 18 o 440.062 16.219 41.137  3.0225 47.565  4.3082  34.907  4.2415 472.622 21.525 403.741 24.929 68.88055       32.93591 
1 1 1 -9  10 19 o 862.400 18.275 158.150 6.6745 162.399 9.8636  154.561 9.0652 871.818 26.716 850.953 25.155 20.86536       36.69483 
1 1 1 -9  10 20 o 710.172 22.974 107.565 6.9096 0.0000  0.0000  107.565 6.9096 ?       ?      710.172 22.974 0.000000       22.97444 
1 1 1 -9  10 21 o 244.064 21.998 12.811  2.2492 0.0000  0.0000  12.811  2.2492 ?       ?      244.064 21.998 0.000000       21.99751 
1 1 1 -9  10 22 o 566.774 21.570 68.633  5.1774 0.0000  0.0000  68.633  5.1774 ?       ?      566.774 21.570 0.000000       21.57031 
1 1 1 -9  10 23 o 200.049 23.351 8.6929  1.9410 0.0000  0.0000  8.6929  1.9410 ?       ?      200.049 23.351 0.000000       23.35103 
1 1 1 -9  10 24 o 263.423 22.147 14.989  2.4478 0.0000  0.0000  14.989  2.4478 ?       ?      263.423 22.147 0.000000       22.14716 
1 1 1 -9  10 25 o 179.978 15.800 6.9629  1.1921 7.3140  1.5395  6.4371  1.8839 183.667 20.122 170.530 26.984 13.13762       33.66053 
1 1 1 -9  10 26 o 837.031 17.253 149.928 6.1158 146.420 8.4791  153.732 8.8297 822.920 24.330 842.924 24.735 -20.00421      34.69557 
1 1 1 -9  10 27 o 153.281 20.044 5.1444  1.2700 4.8053  1.5611  5.8081  2.1839 146.430 26.132 159.029 33.486 -12.59903      42.47617 
1 1 1 -9  10 28 o 244.547 24.663 13.168  2.5193 13.168  2.5193  0.0000  0.0000 244.547 24.663 ?       ?      0.000000       24.66300 
1 1 1 -9  10 29 o 203.637 33.545 9.5376  2.7921 0.0000  0.0000  9.5376  2.7921 ?       ?      203.637 33.545 0.000000       33.54468 
1 1 1 -9  10 30 o 154.684 25.562 5.4109  1.6160 4.4153  1.9239  7.7957  2.9777 136.747 33.489 179.370 40.196 -42.62315      52.31858 
1 1 1 -9  10 31 o 404.864 19.842 35.694  3.4021 34.839  4.4103  36.952  5.3463 394.969 26.521 402.501 31.619 -7.531281      41.26883 
1 1 1 -9  11 1  o 208.507 19.423 9.3093  1.6953 9.4676  2.7047  9.2069  2.1758 208.417 31.637 206.522 25.414 1.894806       40.58081 
1 1 1 -9  11 2  o 324.718 17.520 22.440  2.4003 20.857  3.9218  23.388  3.0352 311.424 30.112 331.084 21.769 -19.65994      37.15665 
1 1 1 -9  11 3  o 988.231 18.589 207.305 7.7795 219.762 12.908  200.198 9.7492 1015.47 30.015 970.388 23.724 45.08124       38.25814 
1 1 1 -9  11 4  o 260.312 21.450 14.493  2.3436 17.306  3.2543  11.463  3.3778 283.808 27.418 228.896 36.038 54.91246       45.28183 
1 1 1 -9  11 5  o 206.889 18.496 9.1582  1.6035 8.9073  2.6390  9.3050  2.0189 201.934 31.921 207.924 23.330 -5.990021      39.53780 
1 1 1 -9  11 6  o 759.596 20.400 122.550 6.5624 118.828 8.8917  127.003 9.7256 746.941 28.110 771.940 29.750 -24.99915      40.92940 
1 1 1 -9  11 7  o 355.819 29.294 27.158  4.3749 0.0000  0.0000  27.158  4.3749 ?       ?      355.819 29.294 0.000000       29.29358 
1 1 1 -9  11 8  o 184.061 34.024 7.4607  2.5544 0.0000  0.0000  7.4607  2.5544 ?       ?      184.061 34.024 0.000000       34.02414 
1 1 1 -9  11 9  o 1241.62 31.043 328.797 16.323 328.797 16.323  0.0000  0.0000 1241.62 31.043 ?       ?      0.000000       31.04330 
1 1 1 -9  11 10 o 728.927 25.592 113.075 7.9001 113.075 7.9001  0.0000  0.0000 728.927 25.592 ?       ?      0.000000       25.59206 
1 1 1 -9  11 11 o 399.630 17.206 33.896  2.9120 32.397  3.8391  35.926  4.4686 389.622 23.375 410.019 25.868 -20.39679      34.86438 
1 1 1 -9  11 12 o 1110.47 20.119 261.992 9.4614 259.543 12.684  265.063 14.206 1103.76 27.136 1114.66 30.094 -10.89868      40.52141 
1 1 1 -9  11 13 o 461.721 16.124 45.244  3.1527 47.597  4.0971  41.827  4.9366 473.251 20.443 442.317 26.476 30.93405       33.44977 
1 1 1 -9  11 14 o 524.529 15.993 58.398  3.5526 56.160  4.6012  61.700  5.5901 513.922 21.141 538.286 24.522 -24.36401      32.37746 
1 1 1 -9  11 15 o 780.946 17.270 129.531 5.7115 134.688 7.5172  122.487 8.7847 795.537 22.313 757.684 27.378 37.85358       35.31843 
1 1 1 -9  11 16 o 492.733 16.037 51.554  3.3464 53.582  4.4159  48.819  5.1286 501.852 20.778 477.800 25.438 24.05225       32.84498 
1 1 1 -9  11 17 o 771.478 17.954 126.503 5.8657 0.0000  0.0000  126.503 5.8657 ?       ?      771.478 17.954 0.000000       17.95374 
1 1 1 -9  11 18 f 364.152 13.673 28.144  2.1086 26.217  3.5541  29.190  2.6194 349.798 24.140 370.651 16.687 -20.85248      29.34598 
1 1 1 -9  11 19 o 331.283 16.661 23.380  2.3300 25.588  3.5873  21.769  3.0644 345.407 24.687 318.759 22.852 26.64813       33.64014 
1 1 1 -9  11 20 o 525.824 17.091 58.788  3.8058 55.735  6.0928  60.741  4.8735 509.392 28.356 533.839 21.557 -24.44662      35.61965 
1 1 1 -9  11 21 o 116.351 29.363 3.0197  1.4469 0.0000  0.0000  3.0197  1.4469 ?       ?      116.351 29.363 0.000000       29.36308 
1 1 1 -9  11 22 o 326.802 21.456 22.921  2.9530 0.0000  0.0000  22.921  2.9530 ?       ?      326.802 21.456 0.000000       21.45596 
1 1 1 -9  11 23 o 631.269 21.982 85.366  5.8766 0.0000  0.0000  85.366  5.8766 ?       ?      631.269 21.982 0.000000       21.98214 
1 1 1 -9  11 24 o 265.514 15.135 15.071  1.6948 15.499  2.3188  14.580  2.4833 268.212 20.572 259.564 22.823 8.647339       30.72576 
1 1 1 -9  11 25 o 291.512 15.261 18.174  1.8774 18.294  2.4401  17.999  2.9391 291.478 19.886 287.926 24.332 3.552429       31.42492 
1 1 1 -9  11 26 o 903.471 24.483 176.680 9.3675 176.680 9.3675  0.0000  0.0000 903.471 24.483 ?       ?      0.000000       24.48315 
1 1 1 -9  11 27 o 456.480 21.740 45.080  4.2026 45.080  4.2026  0.0000  0.0000 456.480 21.740 ?       ?      0.000000       21.73959 
1 1 1 -9  11 28 o 306.503 16.974 20.245  2.1947 21.512  2.9550  18.685  3.2775 314.008 22.368 290.601 26.938 23.40762       35.01380 
1 1 1 -9  11 29 o 261.360 29.817 15.386  3.2412 0.0000  0.0000  15.386  3.2412 ?       ?      261.360 29.817 0.000000       29.81695 
1 1 1 -9  11 30 o 321.996 18.916 22.571  2.5680 21.774  3.3958  23.636  3.9250 312.556 25.888 323.758 28.932 -11.20148      38.82276 
1 1 1 -9  11 31 o 352.183 20.082 27.113  2.9828 23.216  3.8625  32.871  4.6948 320.563 28.758 381.359 29.293 -60.79578      41.04994 
1 1 1 -9  12 1  o 791.499 17.941 132.953 6.0138 125.614 9.9633  137.159 7.5428 767.680 30.646 803.445 22.168 -35.76398      37.82387 
1 1 1 -9  12 2  o 848.568 18.035 152.821 6.4809 153.304 10.714  152.543 8.1386 848.221 29.827 847.229 22.683 0.9921265      37.47270 
1 1 1 -9  12 3  o 767.886 21.181 125.258 6.8881 131.144 9.4403  118.556 10.073 784.716 28.407 745.546 31.903 39.17053       42.71753 
1 1 1 -9  12 4  o 556.699 20.214 65.817  4.7656 67.138  6.4820  64.264  7.0305 561.577 27.256 548.240 30.400 13.33740       40.82925 
1 1 1 -9  12 5  o 565.962 19.883 68.021  4.7655 68.924  6.4344  66.924  7.0923 569.046 26.700 559.554 30.040 9.491943       40.19047 
1 1 1 -9  12 6  o 647.733 19.871 89.098  5.4507 91.713  7.4036  86.004  8.0544 656.410 26.633 635.213 29.941 21.19751       40.07257 
1 1 1 -9  12 7  o 975.273 21.152 202.070 8.7361 204.137 11.987  199.729 12.759 978.845 28.917 967.745 31.131 11.09949       42.48926 
1 1 1 -9  12 8  o 802.764 29.133 137.326 9.9040 0.0000  0.0000  137.326 9.9040 ?       ?      802.764 29.133 0.000000       29.13253 
1 1 1 -9  12 9  o 963.921 30.059 198.105 12.270 0.0000  0.0000  198.105 12.270 ?       ?      963.921 30.059 0.000000       30.05872 
1 1 1 -9  12 10 o 1258.61 30.394 337.855 16.201 337.855 16.201  0.0000  0.0000 1258.61 30.394 ?       ?      0.000000       30.39441 
1 1 1 -9  12 11 o 201.600 26.218 8.7971  2.1854 8.7971  2.1854  0.0000  0.0000 201.600 26.218 ?       ?      0.000000       26.21766 
1 1 1 -9  12 12 o 1360.84 18.129 393.227 10.448 372.837 17.115  405.338 13.190 1321.68 30.578 1380.58 22.560 -58.89526      37.99954 
1 1 1 -9  12 13 o 464.016 13.169 45.663  2.5877 47.063  4.1077  44.741  3.3321 470.543 20.614 459.060 17.140 11.48251       26.80826 
1 1 1 -9  12 14 o 653.736 16.543 90.735  4.5801 87.592  5.9797  95.197  7.1240 641.654 22.006 668.447 25.166 -26.79346      33.42999 
1 1 1 -9  12 15 o 267.764 16.366 15.281  1.8469 15.129  2.4107  15.496  2.8737 265.783 21.605 268.406 25.592 -2.622589      33.49211 
1 1 1 -9  12 16 o 625.246 16.114 83.021  4.2666 0.0000  0.0000  83.021  4.2666 ?       ?      625.246 16.114 0.000000       16.11351 
1 1 1 -9  12 17 o 639.410 16.827 86.866  4.5564 0.0000  0.0000  86.866  4.5564 ?       ?      639.410 16.827 0.000000       16.82664 
1 1 1 -9  12 18 o 271.299 14.133 15.666  1.6182 16.014  2.8579  15.502  1.9633 272.815 25.014 269.523 17.292 3.292450       30.40929 
1 1 1 -9  12 19 o 572.750 14.329 69.651  3.4755 76.900  6.0733  66.120  4.2381 600.373 23.887 557.615 17.947 42.75757       29.87761 
1 1 1 -9  12 20 o 809.804 15.811 139.371 5.4223 149.749 9.7879  134.775 6.5131 836.262 27.638 795.619 19.330 40.64258       33.72697 
1 1 1 -9  12 21 o 263.941 22.105 14.980  2.4481 0.0000  0.0000  14.980  2.4481 ?       ?      263.941 22.105 0.000000       22.10519 
1 1 1 -9  12 22 o 634.093 16.938 85.657  4.5483 85.976  6.9151  85.414  6.0383 632.740 25.807 631.705 22.571 1.035217       34.28482 
1 1 1 -9  12 23 o 372.763 15.605 29.603  2.4634 30.605  3.4949  28.613  3.4729 377.281 21.969 364.590 22.604 12.69067       31.52113 
1 1 1 -9  12 24 o 374.981 13.693 29.934  2.1744 29.901  3.3488  29.959  2.8590 372.771 21.302 374.396 18.032 -1.625092      27.90901 
1 1 1 -9  12 25 o 390.221 16.750 32.536  2.7680 35.800  3.3675  25.737  4.8603 408.682 19.457 340.759 34.139 67.92264       39.29436 
1 1 1 -9  12 26 o 376.699 16.765 30.376  2.6745 31.088  3.2608  28.913  4.6750 379.597 20.358 361.727 30.812 17.87091       36.93002 
1 1 1 -9  12 27 o 423.466 15.828 38.424  2.8385 38.193  3.8148  38.710  4.2485 419.577 21.542 421.251 23.913 -1.673859      32.18561 
1 1 1 -9  12 28 f 284.670 26.841 17.944  3.1976 0.0000  0.0000  17.944  3.1976 ?       ?      284.670 26.841 0.000000       26.84094 
1 1 1 -9  12 29 o 292.144 18.233 18.508  2.2446 18.753  2.9783  18.187  3.4149 291.423 24.356 284.723 28.713 6.699921       37.65168 
1 1 1 -9  12 30 o 269.260 19.106 15.821  2.1645 16.185  2.8125  15.293  3.3898 269.608 24.915 258.219 31.662 11.38843       40.28946 
1 1 1 -9  12 31 o 407.182 19.144 36.050  3.3012 35.042  4.3320  37.446  5.0984 396.417 25.947 406.613 29.816 -10.19589      39.52525 
1 1 1 -9  13 1  o 130.879 28.578 3.7894  1.5395 5.3294  2.1261  2.0918  2.2323 155.102 33.359 107.493 38.569 47.60904       50.99394 
1 1 1 -9  13 2  o 649.693 20.772 89.655  5.7152 83.697  7.7928  96.591  8.4072 626.765 29.359 673.298 29.485 -46.53314      41.60911 
1 1 1 -9  13 3  f 650.480 20.481 89.866  5.6420 78.367  7.6672  103.446 8.3322 606.409 29.856 696.954 28.230 -90.54413      41.08894 
1 1 1 -9  13 4  o 1407.39 24.800 421.287 14.781 426.359 20.367  415.643 21.486 1413.06 34.035 1394.36 36.386 18.70313       49.82307 
1 1 1 -9  13 5  o 1478.21 25.191 464.839 15.770 475.148 21.791  453.503 22.850 1491.49 34.500 1456.15 37.054 35.33582       50.62859 
1 1 1 -9  13 6  f 846.439 20.497 152.180 7.3472 148.786 10.072  156.040 10.741 835.740 28.459 855.654 29.641 -19.91449      41.09142 
1 1 1 -9  13 7  o 535.456 18.899 60.874  4.2854 56.037  5.7993  66.692  6.3605 512.355 26.821 559.699 26.835 -47.34436      37.94021 
1 1 1 -9  13 8  o 72.429  26.564 0.8892  1.0667 1.6372  1.4066  -0.1232 1.6364 90.909  30.738 70.695  30.373 20.21422       43.21299 
1 1 1 -9  13 9  o 1129.14 31.348 272.043 14.990 0.0000  0.0000  272.043 14.990 ?       ?      1129.14 31.348 0.000000       31.34842 
1 1 1 -9  13 10 o 881.456 28.749 165.616 10.732 0.0000  0.0000  165.616 10.732 ?       ?      881.456 28.749 0.000000       28.74880 
1 1 1 -9  13 11 o 410.133 22.276 35.871  3.8546 35.871  3.8546  0.0000  0.0000 410.133 22.276 ?       ?      0.000000       22.27624 
1 1 1 -9  13 12 o 1455.65 22.505 450.681 13.873 429.623 19.027  474.581 20.271 1418.13 31.682 1490.31 32.119 -72.17249      45.11519 
1 1 1 -9  13 13 o 644.002 16.031 88.031  4.3721 96.005  6.0275  79.178  6.3512 671.931 21.182 609.765 24.595 62.16638       32.45930 
1 1 1 -9  13 14 o 481.745 12.703 49.222  2.5915 49.466  4.2487  49.077  3.2703 482.278 20.803 480.800 16.061 1.478180       26.28142 
1 1 1 -9  13 15 o 327.806 16.118 22.818  2.2375 24.580  2.9450  20.412  3.4414 339.306 20.592 308.171 26.631 31.13571       33.66411 
1 1 1 -9  13 16 o 605.743 12.924 77.846  3.3153 85.556  5.6371  73.768  4.0992 634.026 20.995 589.315 16.425 44.71173       26.65615 
1 1 1 -9  13 17 o 586.800 13.130 73.066  3.2629 78.958  5.4847  69.839  4.0594 608.952 21.268 573.315 16.719 35.63721       27.05294 
1 1 1 -9  13 18 o 679.039 14.087 97.883  4.0511 95.388  6.8481  99.227  5.0246 668.677 24.183 683.232 17.365 -14.55579      29.77220 
1 1 1 -9  13 19 o 864.646 15.328 158.812 5.6128 164.926 9.7257  155.760 6.8728 878.447 26.143 855.566 18.969 22.88098       32.29992 
1 1 1 -9  13 20 o 273.747 19.193 16.035  2.2109 13.102  3.4733  18.033  2.8668 244.224 34.547 289.650 23.575 -45.42549      41.82416 
1 1 1 -9  13 21 o 373.748 17.955 29.756  2.8419 0.0000  0.0000  29.756  2.8419 ?       ?      373.748 17.955 0.000000       17.95520 
1 1 1 -9  13 22 o 271.871 19.878 15.872  2.2728 20.121  2.9716  9.8826  3.5278 305.589 23.134 208.743 41.369 96.84610       47.39796 
1 1 1 -9  13 23 o 216.881 19.077 10.130  1.7344 10.507  2.1909  9.4978  2.8387 219.877 23.914 206.324 33.648 13.55357       41.28049 
1 1 1 -9  13 24 o 455.962 17.598 44.428  3.3981 49.527  4.1695  34.343  5.8640 480.638 20.485 393.980 35.528 86.65817       41.01057 
1 1 1 -9  13 25 o 293.110 13.798 18.308  1.7127 19.309  2.4861  17.405  2.3628 299.395 19.719 284.181 19.756 15.21460       27.91246 
1 1 1 -9  13 26 o 428.143 15.445 39.195  2.8005 39.138  3.7148  39.269  4.2624 426.232 20.580 425.121 23.770 1.111481       31.44164 
1 1 1 -9  13 27 o 153.168 26.268 5.2655  1.6426 0.0000  0.0000  5.2655  1.6426 ?       ?      153.168 26.268 0.000000       26.26837 
1 1 1 -9  13 28 o 286.417 20.115 17.830  2.4244 0.0000  0.0000  17.830  2.4244 ?       ?      286.417 20.115 0.000000       20.11525 
1 1 1 -9  13 29 o 112.425 22.663 2.8554  1.0417 1.9529  1.4417  3.8413  1.5069 94.407  31.103 129.122 28.336 -34.71531      42.07535 
1 1 1 -9  13 30 o 113.016 27.428 2.9575  1.2995 2.8952  1.5204  3.1263  2.5030 111.325 31.068 117.516 40.960 -6.191246      51.40920 
1 1 1 -9  14 1  o 640.693 28.613 87.442  7.7634 87.442  7.7634  0.0000  0.0000 640.693 28.613 ?       ?      0.000000       28.61275 
1 1 1 -9  14 2  o 604.082 20.574 77.510  5.2634 73.660  7.1419  82.086  7.7870 588.030 28.679 620.625 29.628 -32.59473      41.23470 
1 1 1 -9  14 3  o 1561.72 26.090 519.036 17.255 504.891 23.827  534.636 25.022 1536.56 36.616 1580.85 37.375 -44.29028      52.32207 
1 1 1 -9  14 4  o 872.189 20.968 161.604 7.7450 148.921 10.536  176.513 11.423 835.882 29.765 910.055 29.640 -74.17273      42.00606 
1 1 1 -9  14 5  o 798.344 20.417 135.379 6.9027 129.750 9.4320  141.870 10.129 780.410 28.539 815.910 29.314 -35.49994      40.91188 
1 1 1 -9  14 6  o 1699.55 26.660 614.924 19.188 588.758 26.679  642.966 27.618 1658.41 37.986 1733.26 37.626 -74.84363      53.46659 
1 1 1 -9  14 7  o 786.001 19.794 131.211 6.5889 133.454 9.0253  128.652 9.6412 791.677 26.920 776.905 29.304 14.77179       39.79164 
1 1 1 -9  14 8  o 622.494 18.670 82.275  4.9219 79.680  6.6995  85.318  7.2547 611.832 25.856 632.952 27.065 -21.11963      37.43068 
1 1 1 -9  14 9  o 359.115 18.139 27.449  2.7497 28.052  3.7142  26.718  4.0903 362.309 24.349 353.081 27.574 9.228119       36.78564 
1 1 1 -9  14 10 o 803.870 27.932 137.726 9.5088 0.0000  0.0000  137.726 9.5088 ?       ?      803.870 27.932 0.000000       27.93167 
1 1 1 -9  14 11 f 661.020 18.648 92.802  5.2202 0.0000  0.0000  92.802  5.2202 ?       ?      661.020 18.648 0.000000       18.64783 
1 1 1 -9  14 12 o 468.010 13.670 46.459  2.7094 46.449  4.3445  46.466  3.4661 467.325 21.952 467.786 17.496 -0.4604797     28.07159 
1 1 1 -9  14 13 o 531.717 15.663 60.010  3.5269 64.641  4.9081  55.065  5.0715 551.320 21.022 508.568 23.547 42.75177       31.56562 
1 1 1 -9  14 14 o 473.539 15.008 47.595  3.0096 51.054  4.3651  44.460  4.1552 489.884 21.040 457.113 21.465 32.77136       30.05703 
1 1 1 -9  14 15 o 202.585 17.066 8.7802  1.4505 8.9292  2.3309  8.6860  1.8530 202.612 27.905 200.778 22.162 1.833206       35.63496 
1 1 1 -9  14 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  14 17 o 289.785 23.059 18.012  2.8064 18.012  2.8064  0.0000  0.0000 289.785 23.059 ?       ?      0.000000       23.05852 
1 1 1 -9  14 18 o 419.663 16.642 37.428  2.9576 36.392  4.1184  38.531  4.2502 412.385 23.681 424.357 23.745 -11.97119      33.53583 
1 1 1 -9  14 19 o 1077.43 20.950 247.337 9.5589 289.664 13.351  202.815 13.692 1163.55 27.094 971.065 33.296 192.4885       42.92647 
1 1 1 -9  14 20 o 342.198 20.693 25.059  2.9847 26.659  4.7899  24.044  3.8161 350.324 32.663 333.875 27.226 16.44897       42.52211 
1 1 1 -9  14 21 o 208.918 20.071 9.3994  1.7539 11.693  2.3257  6.3750  2.6706 232.485 23.966 167.882 38.397 64.60258       45.26274 
1 1 1 -9  14 22 o 287.619 19.154 17.744  2.3197 19.297  3.0316  15.550  3.6030 298.900 24.156 265.827 32.695 33.07358       40.65039 
1 1 1 -9  14 23 o 229.779 15.031 11.296  1.4546 14.210  2.2895  9.3240  1.8835 256.623 21.258 207.408 21.769 49.21501       30.42678 
1 1 1 -9  14 24 o 238.803 14.889 12.204  1.4983 12.495  2.2470  11.970  2.0104 240.092 22.357 235.420 20.366 4.671661       30.24201 
1 1 1 -9  14 25 o 242.568 16.438 12.634  1.6787 13.792  2.1189  10.683  2.7509 252.685 19.964 219.167 30.462 33.51816       36.42087 
1 1 1 -9  14 26 o 264.256 14.479 14.964  1.6142 13.532  2.3102  16.331  2.2564 249.251 22.116 274.792 19.516 -25.54031      29.49563 
1 1 1 -9  14 27 o 459.056 19.065 45.443  3.7063 0.0000  0.0000  45.443  3.7063 ?       ?      459.056 19.065 0.000000       19.06463 
1 1 1 -9  14 28 o 124.149 19.420 3.4065  0.9876 2.7477  1.3687  4.1219  1.4264 109.415 29.052 134.971 25.896 -25.55520      38.91821 
1 1 1 -9  14 29 o 185.546 17.053 7.4897  1.3250 5.9945  1.9247  8.8364  1.8267 161.632 29.193 200.026 21.924 -38.39436      36.50885 
1 1 1 -9  14 30 o 87.833  25.414 1.7528  0.9992 0.9306  1.3676  2.6946  1.4635 76.409  29.612 107.564 30.646 -31.15487      42.61443 
1 1 1 -9  15 1  o 1124.56 31.959 269.861 15.220 269.861 15.220  0.0000  0.0000 1124.56 31.959 ?       ?      0.000000       31.95866 
1 1 1 -9  15 2  o 946.533 21.774 190.387 8.7280 185.508 11.935  195.995 12.796 932.788 30.214 958.501 31.524 -25.71313      43.66498 
1 1 1 -9  15 3  o 1625.53 26.545 562.487 18.273 552.210 25.294  573.706 26.427 1606.52 37.179 1637.06 38.119 -30.53748      53.24786 
1 1 1 -9  15 4  o 1390.54 24.410 411.289 14.374 413.911 19.865  408.408 20.826 1392.12 33.695 1382.15 35.579 9.965210       49.00267 
1 1 1 -9  15 5  o 1341.00 23.829 382.441 13.533 389.202 18.777  375.135 19.521 1350.17 32.840 1324.88 34.792 25.29163       47.84286 
1 1 1 -9  15 6  o 1637.98 26.028 571.103 18.055 554.176 25.077  589.322 26.016 1609.31 36.795 1659.46 37.020 -50.14075      52.19512 
1 1 1 -9  15 7  o 636.916 19.082 86.144  5.1470 81.657  7.0291  91.332  7.5574 619.239 26.804 654.837 27.252 -35.59784      38.22467 
1 1 1 -9  15 8  o 1080.33 21.109 248.024 9.6577 244.368 13.276  252.134 14.075 1070.56 29.283 1087.09 30.573 -16.53894      42.33455 
1 1 1 -9  15 9  o 849.697 19.168 153.348 6.8973 147.621 9.3837  160.078 10.172 832.494 26.616 866.691 27.715 -34.19745      38.42601 
1 1 1 -9  15 10 o 849.809 18.641 153.378 6.7085 144.883 8.9987  164.007 10.065 824.810 25.762 877.292 27.091 -52.48138      37.38479 
1 1 1 -9  15 11 o 834.874 15.141 147.898 5.3533 139.216 8.6477  153.293 6.8164 808.495 25.257 849.462 18.948 -40.96692      31.57460 
1 1 1 -9  15 12 o 1136.25 20.728 274.513 9.9742 0.0000  0.0000  274.513 9.9742 ?       ?      1136.25 20.728 0.000000       20.72807 
1 1 1 -9  15 13 o 666.505 17.199 94.351  4.8547 0.0000  0.0000  94.351  4.8547 ?       ?      666.505 17.199 0.000000       17.19940 
1 1 1 -9  15 14 o 489.644 25.149 51.252  5.1972 0.0000  0.0000  51.252  5.1972 ?       ?      489.644 25.149 0.000000       25.14877 
1 1 1 -9  15 15 o 267.508 13.585 15.224  1.5340 15.953  2.8407  14.924  1.8225 272.383 24.902 264.571 16.346 7.811707       29.78772 
1 1 1 -9  15 16 o 644.335 16.173 88.195  4.4132 0.0000  0.0000  88.195  4.4132 ?       ?      644.335 16.173 0.000000       16.17318 
1 1 1 -9  15 17 f 416.958 13.080 36.894  2.3096 34.141  4.0265  38.244  2.8196 399.373 23.917 424.313 15.691 -24.93982      28.60493 
1 1 1 -9  15 18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  15 19 o 259.610 20.536 14.449  2.2394 19.103  3.6786  11.709  2.8226 297.001 29.643 231.884 29.404 65.11748       41.75286 
1 1 1 -9  15 20 o 610.728 17.635 79.410  4.5610 73.586  7.1475  83.411  5.9240 585.249 28.838 624.886 22.386 -39.63672      36.50708 
1 1 1 -9  15 21 o 378.308 17.041 30.490  2.7302 31.469  4.1530  29.745  3.6231 381.996 25.824 372.015 23.111 9.981293       34.65538 
1 1 1 -9  15 22 o 363.229 24.284 28.467  3.7139 28.467  3.7139  0.0000  0.0000 363.229 24.284 ?       ?      0.000000       24.28387 
1 1 1 -9  15 23 o 412.658 15.627 36.309  2.7309 37.009  3.8497  35.600  3.8747 414.651 22.002 406.475 22.598 8.176758       31.53995 
1 1 1 -9  15 24 o 413.741 22.766 36.952  3.9735 0.0000  0.0000  36.952  3.9735 ?       ?      413.741 22.766 0.000000       22.76562 
1 1 1 -9  15 25 o 245.226 20.695 13.023  2.1291 0.0000  0.0000  13.023  2.1291 ?       ?      245.226 20.695 0.000000       20.69476 
1 1 1 -9  15 26 o 163.514 24.129 5.9261  1.6206 0.0000  0.0000  5.9261  1.6206 ?       ?      163.514 24.129 0.000000       24.12858 
1 1 1 -9  15 27 o 502.027 14.112 53.918  3.0003 60.782  4.5376  48.586  3.9994 530.183 20.210 474.156 19.917 56.02698       28.37452 
1 1 1 -9  15 28 o 61.739  23.394 0.6149  0.8407 0.5105  0.9834  0.8983  1.6206 62.929  24.894 80.601  31.935 -17.67218      40.49146 
1 1 1 -9  15 29 o 171.138 17.416 6.3929  1.2446 5.6741  1.7414  7.1435  1.7796 157.857 27.020 178.688 24.134 -20.83159      36.22914 
1 1 1 -9  15 30 o 113.407 29.442 3.0045  1.4264 0.0000  0.0000  3.0045  1.4264 ?       ?      113.407 29.442 0.000000       29.44196 
1 1 1 -9  16 1  o 715.028 20.811 108.630 6.3017 109.189 8.6080  107.985 9.2506 715.808 28.396 711.469 30.702 4.338989       41.82069 
1 1 1 -9  16 2  o 823.465 28.848 144.523 10.060 144.523 10.060  0.0000  0.0000 823.465 28.848 ?       ?      0.000000       28.84850 
1 1 1 -9  16 3  o 993.481 21.761 209.770 9.1554 206.355 12.592  213.600 13.335 983.669 30.228 1000.49 31.473 -16.81860      43.63806 
1 1 1 -9  16 4  o 779.829 20.296 129.188 6.7029 122.498 9.2048  136.740 9.7800 758.149 28.669 800.979 28.832 -42.83014      40.65945 
1 1 1 -9  16 5  o 625.526 19.490 83.103  5.1631 80.004  7.1097  86.561  7.5102 612.850 27.394 637.412 27.822 -24.56195      39.04447 
1 1 1 -9  16 6  o 619.149 19.199 81.413  5.0341 73.321  6.9190  90.515  7.3380 586.613 27.852 651.955 26.578 -65.34253      38.49786 
1 1 1 -9  16 7  o 961.706 20.594 196.523 8.3874 196.134 11.581  196.952 12.163 959.224 28.509 960.905 29.891 -1.681152      41.30636 
1 1 1 -9  16 8  o 648.503 18.519 89.310  5.0859 85.186  6.9149  94.169  7.5066 632.491 25.816 664.879 26.660 -32.38837      37.11076 
1 1 1 -9  16 9  o 498.730 17.595 52.810  3.7162 54.695  4.9965  50.476  5.5595 507.043 23.269 485.941 27.123 21.10184       35.73698 
1 1 1 -9  16 10 o 733.021 14.897 114.005 4.6246 106.517 7.4362  118.727 5.9055 707.273 24.827 747.621 18.652 -40.34851      31.05279 
1 1 1 -9  16 11 o 981.503 15.950 204.480 6.6299 219.157 10.838  195.703 8.3811 1014.27 25.231 959.424 20.628 54.84747       32.59015 
1 1 1 -9  16 12 o 454.518 13.534 43.825  2.6051 45.868  4.2801  42.623  3.2832 464.309 21.767 447.976 17.306 16.33365       27.80858 
1 1 1 -9  16 13 o 343.721 13.413 25.065  1.9524 27.162  3.3113  23.948  2.4172 356.546 22.038 335.340 17.078 21.20621       27.88051 
1 1 1 -9  16 14 o 364.689 24.987 28.494  3.8357 0.0000  0.0000  28.494  3.8357 ?       ?      364.689 24.987 0.000000       24.98669 
1 1 1 -9  16 15 o 133.339 21.114 3.8766  1.1525 0.0000  0.0000  3.8766  1.1525 ?       ?      133.339 21.114 0.000000       21.11413 
1 1 1 -9  16 16 o 364.949 15.340 28.286  2.3708 0.0000  0.0000  28.286  2.3708 ?       ?      364.949 15.340 0.000000       15.33972 
1 1 1 -9  16 17 f 271.784 17.242 15.765  1.9742 0.0000  0.0000  15.765  1.9742 ?       ?      271.784 17.242 0.000000       17.24182 
1 1 1 -9  16 18 o 387.717 23.410 32.190  3.8258 0.0000  0.0000  32.190  3.8258 ?       ?      387.717 23.410 0.000000       23.40995 
1 1 1 -9  16 19 o 442.687 16.887 41.684  3.1658 0.0000  0.0000  41.684  3.1658 ?       ?      442.687 16.887 0.000000       16.88689 
1 1 1 -9  16 20 o 505.414 17.218 54.391  3.6854 57.993  5.7679  51.906  4.7909 519.317 26.312 492.668 22.962 26.64890       34.92303 
1 1 1 -9  16 21 f 467.379 14.789 46.482  2.9273 44.284  3.8877  49.361  4.4483 455.234 20.166 480.235 21.872 -25.00110      29.74977 
1 1 1 -9  16 22 o 141.867 19.510 4.3823  1.1412 3.9674  2.0082  4.5802  1.3868 132.403 35.206 144.251 23.512 -11.84746      42.33498 
1 1 1 -9  16 23 o 357.808 18.596 27.460  2.8081 0.0000  0.0000  27.460  2.8081 ?       ?      357.808 18.596 0.000000       18.59570 
1 1 1 -9  16 24 o 376.216 19.085 30.409  3.0308 0.0000  0.0000  30.409  3.0308 ?       ?      376.216 19.085 0.000000       19.08512 
1 1 1 -9  16 25 o 246.773 20.658 13.199  2.1390 0.0000  0.0000  13.199  2.1390 ?       ?      246.773 20.658 0.000000       20.65774 
1 1 1 -9  16 26 f 352.488 13.918 26.555  2.0776 29.204  3.0536  24.272  2.8349 367.455 19.695 334.751 20.090 32.70425       28.13386 
1 1 1 -9  16 27 o 262.426 17.788 14.893  1.9652 15.869  2.3610  12.691  3.5461 269.906 20.816 234.183 36.984 35.72377       42.43950 
1 1 1 -9  16 28 o 269.988 15.017 15.695  1.7102 14.741  2.4681  16.575  2.3720 258.874 22.743 275.562 20.472 -16.68835      30.60000 
1 1 1 -9  16 29 o 474.712 14.729 48.462  2.9610 45.971  4.4694  50.411  3.9529 456.674 23.186 481.458 19.387 -24.78433      30.22334 
1 1 1 -9  16 30 o 307.766 15.547 20.473  2.0198 21.706  2.9746  19.419  2.7512 313.458 22.559 296.681 22.055 16.77667       31.54921 
1 1 1 -9  17 1  o 686.541 30.251 100.561 8.7953 0.0000  0.0000  100.561 8.7953 ?       ?      686.541 30.251 0.000000       30.25103 
1 1 1 -9  17 2  o 265.044 29.683 15.165  3.2745 15.165  3.2745  0.0000  0.0000 265.044 29.683 ?       ?      0.000000       29.68315 
1 1 1 -9  17 3  o 1367.93 33.665 399.912 19.502 399.912 19.502  0.0000  0.0000 1367.93 33.665 ?       ?      0.000000       33.66522 
1 1 1 -9  17 4  f 165.853 24.211 5.9742  1.6504 5.0282  2.2169  7.1504  2.4718 150.350 35.403 180.082 33.649 -29.73233      48.84295 
1 1 1 -9  17 5  f 199.277 22.015 8.5444  1.8269 9.0512  2.4330  7.8892  2.7662 204.049 28.969 188.972 35.877 15.07735       46.11269 
1 1 1 -9  17 6  o 900.370 20.427 172.260 7.7889 168.385 10.748  176.546 11.304 888.696 28.558 909.806 29.338 -21.10956      40.94184 
1 1 1 -9  17 7  o 351.074 18.576 26.248  2.7519 25.858  3.7647  26.696  4.0328 347.526 25.763 352.923 27.192 -5.397034      37.45859 
1 1 1 -9  17 8  o 641.365 18.356 87.361  4.9857 93.239  6.8260  80.639  7.2994 661.843 24.354 614.981 28.027 46.86212       37.12993 
1 1 1 -9  17 9  o 341.935 17.509 24.891  2.5269 24.317  3.3720  25.627  3.8161 337.182 23.767 345.823 26.253 -8.640717      35.41284 
1 1 1 -9  17 10 o 841.027 15.332 150.110 5.4608 133.898 8.7015  160.643 7.0140 792.665 25.921 869.505 19.048 -76.84021      32.16747 
1 1 1 -9  17 11 o 388.158 14.222 31.968  2.3378 34.967  3.8751  30.252  2.9314 404.689 22.702 377.342 18.344 27.34686       29.18730 
1 1 1 -9  17 12 o 1539.48 19.200 503.812 12.517 540.239 20.967  483.638 15.603 1589.08 31.156 1506.50 24.457 82.57605       39.60863 
1 1 1 -9  17 13 f 212.861 15.134 9.6672  1.3554 9.7313  2.4655  9.6395  1.6226 211.610 28.215 212.190 18.234 -0.5797882     33.59368 
1 1 1 -9  17 14 o 475.175 16.872 47.973  3.3952 57.912  4.5685  35.711  5.0743 521.640 20.680 407.500 29.606 114.1406       36.11363 
1 1 1 -9  17 15 o 437.256 12.899 40.569  2.3885 41.914  4.2070  39.929  2.9015 442.938 22.502 433.569 15.803 9.369263       27.49626 
1 1 1 -9  17 16 o 282.453 13.723 16.934  1.6415 20.324  3.1266  15.645  1.9287 307.707 24.188 270.792 16.903 36.91547       29.50881 
1 1 1 -9  17 17 o 387.677 13.591 31.904  2.2314 34.919  3.9946  30.537  2.6902 403.912 23.454 379.031 16.760 24.88022       28.82673 
1 1 1 -9  17 18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  17 19 o 524.152 14.233 58.375  3.1593 67.949  5.9054  54.536  3.7395 563.538 24.745 506.185 17.445 57.35281       30.27568 
1 1 1 -9  17 20 o 707.222 15.057 106.396 4.5097 117.975 8.5704  101.962 5.3033 740.826 27.317 691.622 18.106 49.20465       32.77322 
1 1 1 -9  17 21 o 351.637 15.824 26.339  2.3565 29.754  5.3948  25.534  2.6196 367.960 35.044 345.466 17.967 22.49374       39.38119 
1 1 1 -9  17 22 o 150.492 23.426 4.9782  1.4444 0.0000  0.0000  4.9782  1.4444 ?       ?      150.492 23.426 0.000000       23.42618 
1 1 1 -9  17 23 o 235.810 19.796 11.999  1.9586 0.0000  0.0000  11.999  1.9586 ?       ?      235.810 19.796 0.000000       19.79647 
1 1 1 -9  17 24 o 263.926 14.460 14.901  1.6100 17.124  2.4474  13.205  2.1377 281.552 20.670 247.070 20.619 34.48221       29.19582 
1 1 1 -9  17 25 o 141.598 17.619 4.3649  1.0337 4.2850  1.4650  4.4440  1.4586 138.201 25.986 140.969 25.366 -2.768265      36.31381 
1 1 1 -9  17 26 o 273.731 14.903 16.090  1.7211 16.239  2.4966  15.956  2.3758 272.858 21.788 270.780 20.879 2.077515       30.17661 
1 1 1 -9  17 27 f 535.606 14.389 61.439  3.2638 62.988  4.9124  60.216  4.3671 538.547 21.539 527.730 19.540 10.81714       29.08191 
1 1 1 -9  17 28 o 305.091 16.690 20.121  2.1482 22.059  2.7414  17.039  3.4579 317.868 20.474 274.285 30.274 43.58344       36.54700 
1 1 1 -9  17 29 o 186.178 16.918 7.5527  1.3194 8.1137  1.8426  6.9624  1.8900 190.710 23.299 175.270 26.273 15.43933       35.11573 
1 1 1 -9  17 30 o 261.843 15.865 14.849  1.7510 17.953  2.5110  11.910  2.4429 285.747 20.895 230.313 25.473 55.43361       32.94654 
1 1 1 -9  18 1  o 450.981 29.852 43.586  5.6691 0.0000  0.0000  43.586  5.6691 ?       ?      450.981 29.852 0.000000       29.85197 
1 1 1 -9  18 2  o 933.778 31.045 186.169 12.277 0.0000  0.0000  186.169 12.277 ?       ?      933.778 31.045 0.000000       31.04523 
1 1 1 -9  18 3  o 1017.55 30.187 220.961 13.008 220.961 13.008  0.0000  0.0000 1017.55 30.187 ?       ?      0.000000       30.18723 
1 1 1 -9  18 4  o 637.027 26.931 86.465  7.2652 86.465  7.2652  0.0000  0.0000 637.027 26.931 ?       ?      0.000000       26.93068 
1 1 1 -9  18 5  o 718.666 19.562 109.727 5.9538 104.010 8.1821  116.161 8.6797 698.534 27.659 738.191 27.765 -39.65692      39.19053 
1 1 1 -9  18 6  o 1389.44 23.724 410.817 13.959 398.705 19.393  423.841 20.109 1365.42 33.538 1407.73 33.732 -42.30310      47.56687 
1 1 1 -9  18 7  o 737.272 19.093 115.479 5.9612 116.032 8.1913  114.855 8.6918 737.963 26.211 733.897 27.966 4.066284       38.32873 
1 1 1 -9  18 8  o 403.609 17.720 34.594  3.0288 32.053  4.0686  37.753  4.5361 387.160 24.947 420.200 25.613 -33.03983      35.75485 
1 1 1 -9  18 9  o 161.850 21.459 5.6678  1.4346 4.8007  1.8665  6.9192  2.2424 147.184 30.928 177.437 30.969 -30.25363      43.76792 
1 1 1 -9  18 10 o 501.418 17.308 53.399  3.6753 51.532  4.9035  55.792  5.5520 491.944 23.537 510.960 25.740 -19.01593      34.87899 
1 1 1 -9  18 11 o 441.670 13.936 41.391  2.6067 38.234  4.1723  43.412  3.3383 423.064 23.378 452.062 17.438 -28.99777      29.16545 
1 1 1 -9  18 12 o 437.767 13.599 40.663  2.5212 41.324  4.2060  40.293  3.1498 439.928 22.653 435.508 17.078 4.419891       28.36913 
1 1 1 -9  18 13 o 530.955 13.233 59.817  2.9755 60.964  4.9939  59.186  3.7050 535.042 22.040 527.835 16.575 7.206848       27.57649 
1 1 1 -9  18 14 o 543.308 16.725 62.721  3.8482 65.707  5.1660  58.999  5.7681 555.390 21.964 525.667 25.911 29.72321       33.96739 
1 1 1 -9  18 15 o 773.911 13.897 127.140 4.5547 137.947 7.8433  121.642 5.5946 804.377 23.025 756.445 17.464 47.93225       28.89885 
1 1 1 -9  18 16 o 963.221 14.799 197.034 6.0367 201.241 10.429  194.913 7.4030 970.698 25.369 957.292 18.261 13.40576       31.25763 
1 1 1 -9  18 17 o 761.498 13.916 123.125 4.4879 118.606 7.7838  125.375 5.4928 745.205 24.664 767.927 16.890 -22.72217      29.89330 
1 1 1 -9  18 18 o 843.634 25.333 152.230 9.0509 0.0000  0.0000  152.230 9.0509 ?       ?      843.634 25.333 0.000000       25.33329 
1 1 1 -9  18 19 o 437.048 12.939 40.571  2.3948 42.755  3.6998  38.996  3.1416 447.778 19.510 427.958 17.335 19.82013       26.09875 
1 1 1 -9  18 20 o 218.083 15.711 10.177  1.4413 10.602  2.4027  9.9377  1.8014 220.622 26.230 214.787 20.035 5.835022       33.00627 
1 1 1 -9  18 21 o 320.109 13.464 21.798  1.8252 20.199  2.8928  22.856  2.3527 306.094 22.473 326.893 17.054 -20.79871      28.21144 
1 1 1 -9  18 22 o 389.336 15.723 32.329  2.5924 39.193  5.9310  30.707  2.8824 422.195 33.446 379.034 17.957 43.16031       37.96146 
1 1 1 -9  18 23 o 137.420 19.186 4.1216  1.0861 4.0017  1.7908  4.1914  1.3659 132.698 32.195 137.441 24.360 -4.743134      40.37254 
1 1 1 -9  18 24 o 270.922 14.607 15.710  1.6697 16.095  2.5944  15.438  2.1815 272.198 22.714 267.473 19.390 4.724976       29.86493 
1 1 1 -9  18 25 o 176.224 16.965 6.7209  1.2504 8.5861  1.8269  5.0772  1.7151 198.011 22.167 149.985 28.032 48.02586       35.73747 
1 1 1 -9  18 26 o 240.247 15.138 12.416  1.5323 11.882  2.2192  12.903  2.1183 232.693 22.814 243.284 20.759 -10.59123      30.84494 
1 1 1 -9  18 27 o 110.162 18.763 2.6904  0.8440 3.7584  1.1232  1.3050  1.2791 130.028 21.122 81.706  29.209 48.32253       36.04551 
1 1 1 -9  18 28 o 224.600 15.797 10.915  1.4930 12.723  2.1288  9.1640  2.0945 240.647 21.102 202.435 24.960 38.21233       32.68506 
1 1 1 -9  18 29 o 93.083  23.891 1.9851  0.9465 2.0231  1.2949  1.9416  1.3871 94.389  29.314 93.341  30.496 1.048393       42.30061 
1 1 1 -9  19 1  o 600.821 20.179 76.725  5.1343 72.610  7.0158  81.472  7.5341 583.409 28.396 617.924 28.791 -34.51440      40.43796 
1 1 1 -9  19 2  o 767.211 29.770 125.646 9.6726 0.0000  0.0000  125.646 9.6726 ?       ?      767.211 29.770 0.000000       29.77046 
1 1 1 -9  19 3  o 1106.19 32.104 261.534 15.039 0.0000  0.0000  261.534 15.039 ?       ?      1106.19 32.104 0.000000       32.10390 
1 1 1 -9  19 4  o 1090.19 30.363 253.784 14.018 253.784 14.018  0.0000  0.0000 1090.19 30.363 ?       ?      0.000000       30.36331 
1 1 1 -9  19 5  o 1011.40 29.333 218.317 12.564 218.317 12.564  0.0000  0.0000 1011.40 29.333 ?       ?      0.000000       29.33322 
1 1 1 -9  19 6  o 1114.93 21.515 264.355 10.158 256.143 14.040  273.379 14.717 1095.16 30.271 1131.27 30.719 -36.10266      43.12789 
1 1 1 -9  19 7  o 951.730 20.063 192.537 8.0863 187.782 11.131  197.850 11.767 938.195 28.016 962.797 28.859 -24.60144      40.22088 
1 1 1 -9  19 8  o 608.922 17.862 78.760  4.6062 73.730  6.1837  85.030  6.9039 588.297 24.820 631.614 25.811 -43.31708      35.80825 
1 1 1 -9  19 9  o 182.339 18.669 7.1384  1.4213 5.1666  2.0592  8.9323  1.9641 152.497 32.855 203.529 23.203 -51.03249      40.22209 
1 1 1 -9  19 10 o 406.388 17.772 35.089  3.0587 38.172  4.1456  31.404  4.5313 422.735 23.246 382.475 28.174 40.25998       36.52570 
1 1 1 -9  19 11 o 557.635 17.012 66.058  4.0175 62.645  5.3265  70.562  6.1188 542.282 23.194 575.233 25.118 -32.95068      34.18835 
1 1 1 -9  19 12 o 483.703 14.016 49.657  2.8711 54.032  4.7041  47.059  3.6245 503.708 22.052 470.510 18.190 33.19766       28.58631 
1 1 1 -9  19 13 o 222.417 15.119 10.553  1.4157 12.115  2.5764  9.8769  1.6944 236.801 26.126 214.692 18.826 22.10893       32.20230 
1 1 1 -9  19 14 f 533.080 16.534 60.385  3.7327 52.283  5.0108  70.486  5.5951 495.084 23.899 575.003 22.977 -79.91931      33.15287 
1 1 1 -9  19 15 o 514.445 13.016 56.166  2.8357 60.854  5.0221  53.971  3.4358 534.339 22.193 503.995 16.098 30.34421       27.41673 
1 1 1 -9  19 16 o 624.456 13.406 82.776  3.5453 85.353  6.2397  81.547  4.3083 632.515 23.294 619.417 16.424 13.09869       28.50200 
1 1 1 -9  19 17 o 662.612 13.529 93.223  3.7963 94.297  6.6371  92.701  4.6282 664.566 23.583 660.306 16.551 4.260376       28.81122 
1 1 1 -9  19 18 o 543.230 23.069 63.053  5.3070 0.0000  0.0000  63.053  5.3070 ?       ?      543.230 23.069 0.000000       23.06863 
1 1 1 -9  19 19 o 322.981 13.548 22.170  1.8530 24.644  3.0320  20.695  2.3412 338.969 21.228 311.132 17.843 27.83664       27.73107 
1 1 1 -9  19 20 o 285.949 13.948 17.394  1.6890 20.431  2.7057  15.454  2.1620 308.363 20.841 268.327 19.152 40.03625       28.30470 
1 1 1 -9  19 21 o 234.307 14.959 11.742  1.4766 14.468  2.4101  10.104  1.8683 258.745 22.210 216.244 20.653 42.50111       30.32899 
1 1 1 -9  19 22 f 200.237 16.524 8.6178  1.3886 8.9977  2.2402  8.3808  1.7697 202.272 26.813 196.402 21.636 5.869919       34.45320 
1 1 1 -9  19 23 o 557.799 14.002 66.324  3.3075 68.589  5.4109  64.972  4.1793 564.219 22.645 550.921 17.913 13.29828       28.87348 
1 1 1 -9  19 24 o 104.475 21.373 2.4357  0.9137 1.4781  1.3933  3.1584  1.2104 86.716  30.538 118.562 24.899 -31.84634      39.40266 
1 1 1 -9  19 25 o 270.133 14.444 15.652  1.6464 16.444  2.4837  15.031  2.1990 274.809 21.513 263.200 19.875 11.60806       29.28903 
1 1 1 -9  19 26 f 415.896 14.185 37.026  2.4984 32.342  3.7538  40.752  3.3475 384.617 23.154 434.808 18.180 -50.19086      29.43798 
1 1 1 -9  19 27 o 290.706 14.734 18.176  1.8080 18.631  2.6184  17.761  2.4996 291.895 21.330 285.170 20.842 6.724640       29.82171 
1 1 1 -9  19 28 o 323.684 14.735 22.532  2.0198 22.285  2.9314  22.756  2.7868 318.290 21.881 322.368 20.520 -4.078278      29.99727 
1 1 1 -9  19 29 o 103.542 25.755 2.4764  1.1247 3.6884  1.3608  -0.1355 1.9977 126.554 26.251 75.138  32.905 51.41603       42.09357 
1 1 1 -9  20 1  o 983.910 21.654 205.934 9.0227 202.513 12.465  209.699 13.077 973.578 30.234 990.420 31.177 -16.84180      43.42910 
1 1 1 -9  20 2  o 638.571 19.849 86.675  5.3676 82.153  7.4081  91.674  7.7881 620.481 28.193 655.475 28.056 -34.99420      39.77412 
1 1 1 -9  20 3  f 779.798 29.394 129.839 9.7069 0.0000  0.0000  129.839 9.7069 ?       ?      779.798 29.394 0.000000       29.39358 
1 1 1 -9  20 4  o 254.072 30.659 13.988  3.2321 0.0000  0.0000  13.988  3.2321 ?       ?      254.072 30.659 0.000000       30.65876 
1 1 1 -9  20 5  o 220.898 29.692 10.604  2.7073 10.604  2.7073  0.0000  0.0000 220.898 29.692 ?       ?      0.000000       29.69235 
1 1 1 -9  20 6  f 545.374 25.508 63.389  5.8914 63.389  5.8914  0.0000  0.0000 545.374 25.508 ?       ?      0.000000       25.50803 
1 1 1 -9  20 7  o 397.370 18.338 33.550  3.0859 34.232  4.1760  32.729  4.5802 400.074 24.769 390.638 27.869 9.436493       37.28566 
1 1 1 -9  20 8  o 894.225 16.033 169.778 6.0716 165.160 9.8186  172.637 7.7258 879.962 26.348 901.000 20.248 -21.03796      33.22915 
1 1 1 -9  20 9  o 701.059 14.979 104.324 4.4472 95.443  7.0223  110.272 5.7465 669.135 24.781 720.253 18.840 -51.11780      31.12938 
1 1 1 -9  20 10 o 633.186 14.577 85.099  3.9089 89.698  6.3379  82.275  4.9659 648.901 23.063 622.089 18.849 26.81104       29.78622 
1 1 1 -9  20 11 o 337.172 18.003 24.233  2.5613 27.339  3.4787  20.555  3.7852 357.464 23.103 308.652 29.310 48.81244       37.32040 
1 1 1 -9  20 12 o 981.451 19.067 204.878 7.9250 211.985 10.630  195.986 11.891 996.671 25.185 956.995 29.340 39.67645       38.66697 
1 1 1 -9  20 13 o 416.745 13.948 36.867  2.4617 37.877  4.1145  36.304  3.0723 420.864 23.174 413.249 17.555 7.615692       29.07303 
1 1 1 -9  20 14 f 466.436 16.769 46.240  3.3124 43.641  4.5180  49.262  4.8708 451.690 23.702 480.504 23.937 -28.81442      33.68569 
1 1 1 -9  20 15 o 230.815 15.067 11.364  1.4647 14.046  2.9762  10.507  1.6825 254.685 28.060 221.528 18.093 33.15640       33.38718 
1 1 1 -9  20 16 o 780.936 14.013 129.505 4.6344 145.986 8.0953  121.470 5.6523 827.112 23.111 755.687 17.662 71.42499       29.08751 
1 1 1 -9  20 17 o 237.231 15.246 12.010  1.5236 9.6575  3.0125  12.819  1.7661 208.764 35.335 244.876 17.139 -36.11168      39.27256 
1 1 1 -9  20 18 o 580.132 18.206 71.704  4.4729 69.643  7.1981  73.001  5.7090 567.982 30.032 584.268 23.073 -16.28571      37.87205 
1 1 1 -9  20 19 o 367.489 13.135 28.704  2.0442 32.685  3.2685  26.146  2.6197 390.720 19.818 349.750 17.745 40.97046       26.60163 
1 1 1 -9  20 20 o 448.802 14.561 42.880  2.7674 45.492  5.5012  41.996  3.2021 457.972 28.506 443.708 17.041 14.26407       33.21101 
1 1 1 -9  20 21 o 237.896 14.455 12.100  1.4494 9.6952  2.4037  13.474  1.8168 209.959 27.711 250.599 17.224 -40.64012      32.62777 
1 1 1 -9  20 22 o 460.410 13.074 45.133  2.5492 47.052  3.8859  43.684  3.3776 468.494 19.586 451.937 17.648 16.55695       26.36390 
1 1 1 -9  20 23 o 458.112 13.956 44.752  2.7076 47.239  4.4380  43.278  3.4173 468.089 22.388 449.470 17.953 18.61841       28.69701 
1 1 1 -9  20 24 o 117.592 21.543 3.0755  1.0333 3.9616  1.5581  2.3797  1.3806 132.060 28.681 102.861 29.904 29.19846       41.43493 
1 1 1 -9  20 25 o 143.221 27.596 4.6506  1.6131 0.0000  0.0000  4.6506  1.6131 ?       ?      143.221 27.596 0.000000       27.59612 
1 1 1 -9  20 26 o 213.915 16.298 9.8888  1.4653 10.060  2.1382  9.7369  2.0121 213.286 24.095 210.194 22.978 3.091202       33.29537 
1 1 1 -9  20 27 o 223.117 18.442 10.842  1.7269 11.847  2.1055  8.7764  3.0185 232.104 21.672 191.880 38.486 40.22389       44.16830 
1 1 1 -9  20 28 o 332.452 18.089 24.046  2.5371 25.527  3.0915  20.991  4.4403 340.687 21.538 299.252 35.745 41.43491       41.73259 
1 1 1 -9  20 29 o 102.336 23.761 2.4027  1.0100 2.2874  1.3655  2.5420  1.5008 99.542  29.949 104.520 31.387 -4.977180      43.38329 
1 1 1 -9  21 1  o 602.941 20.029 77.301  5.1143 78.646  7.0638  75.820  7.4143 607.043 27.477 595.698 29.390 11.34503       40.23410 
1 1 1 -9  21 2  o 398.804 20.066 33.902  3.3781 34.360  4.6063  33.369  4.9690 400.370 27.331 394.026 30.004 6.344299       40.58566 
1 1 1 -9  21 3  o 647.718 19.588 89.188  5.3729 88.616  7.3958  89.827  7.8187 644.475 27.098 648.612 28.465 -4.137695      39.30057 
1 1 1 -9  21 4  o 379.303 29.143 30.908  4.6454 0.0000  0.0000  30.908  4.6454 ?       ?      379.303 29.143 0.000000       29.14268 
1 1 1 -9  21 5  o 349.775 28.722 26.300  4.2169 0.0000  0.0000  26.300  4.2169 ?       ?      349.775 28.722 0.000000       28.72190 
1 1 1 -9  21 6  o 748.826 19.054 119.193 6.0424 117.728 8.2929  120.851 8.8220 742.905 26.359 752.409 27.687 -9.504211      38.22752 
1 1 1 -9  21 7  o 230.052 26.377 11.436  2.5233 11.436  2.5233  0.0000  0.0000 230.052 26.377 ?       ?      0.000000       26.37653 
1 1 1 -9  21 8  o 604.883 18.129 77.759  4.6441 70.045  6.0330  88.978  7.2756 573.173 24.854 645.684 26.608 -72.51117      36.41022 
1 1 1 -9  21 9  f 706.298 14.947 105.903 4.4709 101.028 7.1311  109.061 5.7390 688.363 24.462 716.195 18.922 -27.83179      30.92618 
1 1 1 -9  21 10 o 282.196 16.299 16.972  1.9396 19.900  3.1713  15.222  2.4515 304.456 24.812 266.468 21.919 37.98831       33.10695 
1 1 1 -9  21 11 o 379.319 14.819 30.550  2.3805 32.379  3.9016  29.465  3.0046 388.965 23.800 371.696 19.153 17.26938       30.54944 
1 1 1 -9  21 12 o 439.712 17.290 41.098  3.2196 44.249  4.3265  37.188  4.8198 455.660 22.421 416.165 27.503 39.49512       35.48362 
1 1 1 -9  21 13 o 558.003 16.993 66.185  4.0156 66.918  5.4059  65.282  5.9979 560.227 22.786 552.836 25.619 7.390564       34.28553 
1 1 1 -9  21 14 o 332.774 13.952 23.511  1.9662 28.347  3.5577  21.384  2.3593 363.822 23.212 316.624 17.666 47.19830       29.16954 
1 1 1 -9  21 15 o 724.218 13.829 111.364 4.2413 109.951 7.4126  112.052 5.1714 717.536 24.394 725.973 16.821 -8.437622      29.63117 
1 1 1 -9  21 16 o 722.112 13.824 110.741 4.2274 108.160 7.3923  111.996 5.1532 711.386 24.538 725.683 16.768 -14.29749      29.71976 
1 1 1 -9  21 17 o 228.255 15.875 11.134  1.5250 14.029  3.0020  10.127  1.7705 254.092 28.383 217.114 19.463 36.97754       34.41471 
1 1 1 -9  21 18 o 582.973 18.224 72.454  4.4992 66.542  7.2071  76.229  5.7593 554.401 30.819 596.831 22.786 -42.43103      38.32758 
1 1 1 -9  21 19 o 675.256 12.843 96.931  3.6727 108.880 5.5255  87.472  4.9159 714.235 18.268 640.215 18.131 74.01953       25.73826 
1 1 1 -9  21 20 o 553.016 12.710 65.044  2.9767 67.600  4.4611  62.992  3.9965 562.330 18.733 543.186 17.374 19.14362       25.54914 
1 1 1 -9  21 21 o 177.860 17.009 6.8181  1.2655 6.0706  2.1407  7.2196  1.5691 164.166 31.940 182.329 20.687 -18.16345      38.05449 
1 1 1 -9  21 22 o 406.494 13.126 35.193  2.2597 37.461  3.4717  33.527  2.9765 417.884 19.617 395.794 17.758 22.09021       26.46092 
1 1 1 -9  21 23 o 374.803 13.976 29.972  2.2183 30.508  3.6400  29.656  2.7979 375.048 23.029 371.955 17.763 3.092590       29.08348 
1 1 1 -9  21 24 o 274.110 14.715 16.118  1.7019 14.804  2.7011  16.982  2.1917 259.554 24.879 280.338 18.566 -20.78445      31.04273 
1 1 1 -9  21 25 o 207.291 15.247 9.2613  1.3290 8.6348  2.0004  9.7563  1.7782 197.403 24.453 211.452 20.099 -14.04955      31.65296 
1 1 1 -9  21 26 o 290.074 17.862 18.218  2.1836 18.189  2.7088  18.270  3.6901 288.062 22.380 284.290 31.161 3.771271       38.36492 
1 1 1 -9  21 27 o 173.154 20.052 6.6054  1.4432 6.7889  1.7973  6.2723  2.4212 173.712 25.165 162.164 36.176 11.54788       44.06791 
1 1 1 -9  21 28 o 317.056 15.038 21.662  2.0192 24.479  2.9284  19.110  2.7878 333.811 20.819 293.848 22.575 39.96268       30.70926 
1 1 1 -9  21 29 o 304.309 15.382 20.030  1.9759 20.513  2.8662  19.592  2.7276 304.444 22.388 297.848 21.775 6.596710       31.23084 
1 1 1 -9  22 1  o 447.091 19.909 42.512  3.7695 41.547  5.2009  43.580  5.4711 440.169 28.047 450.701 28.815 -10.53174      40.21099 
1 1 1 -9  22 2  o 422.662 19.651 37.988  3.5174 36.056  4.8201  40.189  5.1446 409.963 27.929 432.864 28.219 -22.90067      39.70319 
1 1 1 -9  22 3  o 730.320 19.770 113.424 6.1145 110.126 8.4208  117.101 8.8927 718.148 27.688 740.388 28.362 -22.24036      39.63623 
1 1 1 -9  22 4  o 414.940 19.281 36.607  3.3882 35.696  4.6311  37.657  4.9701 408.080 26.949 418.956 28.176 -10.87646      38.98908 
1 1 1 -9  22 5  o 419.661 27.350 37.758  4.8341 0.0000  0.0000  37.758  4.8341 ?       ?      419.661 27.350 0.000000       27.35002 
1 1 1 -9  22 6  o 424.058 27.624 38.564  4.9338 0.0000  0.0000  38.564  4.9338 ?       ?      424.058 27.624 0.000000       27.62442 
1 1 1 -9  22 7  o 426.459 20.043 38.688  3.6199 0.0000  0.0000  38.688  3.6199 ?       ?      426.459 20.043 0.000000       20.04346 
1 1 1 -9  22 8  o 404.255 18.323 34.742  3.1369 33.527  3.9837  36.723  5.0892 395.876 23.874 413.355 29.262 -17.47903      37.76496 
1 1 1 -9  22 9  o 276.574 20.905 16.375  2.4305 13.615  3.1987  20.144  3.7385 250.305 30.828 305.495 29.255 -55.18999      42.49924 
1 1 1 -9  22 10 o 475.447 17.700 48.054  3.5638 49.101  4.7431  46.696  5.4005 479.903 23.338 466.611 27.451 13.29239       36.03077 
1 1 1 -9  22 11 o 891.283 15.188 168.713 5.7326 164.048 9.4046  171.471 7.2313 876.537 25.335 897.774 19.020 -21.23773      31.68024 
1 1 1 -9  22 12 o 827.233 14.686 145.320 5.1450 144.384 8.5261  145.856 6.4522 822.456 24.479 828.077 18.399 -5.621155      30.62268 
1 1 1 -9  22 13 o 712.290 17.510 107.884 5.2820 109.984 7.1034  105.287 7.8997 718.011 23.361 701.744 26.582 16.26733       35.38829 
1 1 1 -9  22 14 o 173.781 23.377 6.5577  1.6768 6.5841  2.6312  6.5396  2.1757 171.442 37.301 172.029 31.006 -0.5863037     48.50515 
1 1 1 -9  22 15 o 261.004 20.596 14.606  2.2580 13.554  3.1362  15.739  3.2536 249.516 30.302 269.422 28.971 -19.90576      41.92328 
1 1 1 -9  22 16 o 730.782 13.883 113.449 4.2967 107.169 7.4949  116.523 5.2439 707.698 25.008 740.076 16.731 -32.37769      30.08881 
1 1 1 -9  22 17 o 301.153 13.911 19.276  1.7741 15.822  2.7750  21.663  2.3072 270.718 24.470 318.492 17.169 -47.77463      29.89221 
1 1 1 -9  22 18 o 263.881 16.153 14.886  1.7965 7.5565  3.7299  17.100  2.0499 181.027 47.907 282.721 17.203 -101.6935      50.90160 
1 1 1 -9  22 19 o 268.557 14.384 15.397  1.6299 16.772  2.6960  14.605  2.0462 278.611 23.057 260.806 18.649 17.80502       29.65502 
1 1 1 -9  22 20 o 174.177 17.692 6.5478  1.2869 9.1775  2.1649  5.1108  1.6003 204.748 25.522 151.894 25.801 52.85390       36.29172 
1 1 1 -9  22 21 o 318.556 13.863 21.622  1.8702 18.287  2.9570  23.846  2.4145 290.135 24.290 333.560 17.151 -43.42490      29.73475 
1 1 1 -9  22 22 o 343.680 13.706 25.180  1.9948 26.197  3.0810  24.447  2.6176 348.371 20.982 337.241 18.398 11.12976       27.90513 
1 1 1 -9  22 23 o 279.074 18.243 16.792  2.1442 19.089  2.9325  14.154  3.1430 295.897 23.598 252.198 30.018 43.69888       38.18320 
1 1 1 -9  22 24 o 114.322 23.578 2.9436  1.1036 1.5981  1.5570  4.3022  1.5646 90.127  32.224 137.598 27.806 -47.47135      42.56292 
1 1 1 -9  22 25 o 205.692 31.311 9.6294  2.6414 0.0000  0.0000  9.6294  2.6414 ?       ?      205.692 31.311 0.000000       31.31075 
1 1 1 -9  22 26 o 347.291 14.843 25.892  2.1830 23.642  3.2994  27.644  2.9115 327.520 23.954 356.664 19.348 -29.14417      30.79165 
1 1 1 -9  22 27 o 63.445  23.777 0.6917  0.8632 0.8304  1.2030  0.5445  1.2392 72.113  27.822 68.436  27.649 3.676826       39.22362 
1 1 1 -9  22 28 o 189.536 19.625 7.9181  1.5524 8.0319  1.9159  7.7005  2.6489 188.889 24.531 179.014 36.186 9.875122       43.71665 
1 1 1 -9  23 1  o 1221.04 23.035 317.662 11.911 306.200 16.528  330.048 17.181 1195.09 32.656 1240.74 32.699 -45.64795      46.21328 
1 1 1 -9  23 2  o 576.505 19.529 70.688  4.7679 66.406  6.5517  75.508  6.9516 557.516 27.749 594.525 27.610 -37.00891      39.14540 
1 1 1 -9  23 3  o 693.456 19.656 102.283 5.7723 97.998  7.9510  107.057 8.3937 677.278 27.721 707.827 28.001 -30.54858      39.40227 
1 1 1 -9  23 4  o 539.947 19.246 62.000  4.4009 65.480  6.1668  58.389  6.2825 553.859 26.291 521.879 28.534 31.97949       38.80011 
1 1 1 -9  23 5  o 575.921 18.491 70.516  4.5098 63.453  6.1468  78.752  6.6372 545.139 26.625 607.467 25.800 -62.32770      37.07489 
1 1 1 -9  23 6  o 772.640 18.841 126.944 6.1649 116.680 8.3438  139.283 9.1487 739.182 26.655 807.584 26.750 -68.40222      37.76286 
1 1 1 -9  23 7  o 428.058 20.039 38.989  3.6326 0.0000  0.0000  38.989  3.6326 ?       ?      428.058 20.039 0.000000       20.03886 
1 1 1 -9  23 8  o 1150.26 21.885 281.838 10.661 0.0000  0.0000  281.838 10.661 ?       ?      1150.26 21.885 0.000000       21.88511 
1 1 1 -9  23 9  o 257.448 17.340 14.152  1.8795 15.155  3.1004  13.569  2.3633 264.749 28.082 251.349 22.438 13.39990       35.94479 
1 1 1 -9  23 10 o 470.655 18.123 47.109  3.6122 47.862  4.7858  46.111  5.5063 473.046 23.968 463.400 28.192 9.645844       37.00372 
1 1 1 -9  23 11 o 352.097 18.873 26.452  2.8040 28.061  3.7234  24.344  4.2616 361.769 24.447 335.669 30.306 26.09982       38.93744 
1 1 1 -9  23 12 o 787.662 17.213 131.909 5.7418 132.788 8.0230  130.986 8.2208 788.755 24.019 783.184 24.786 5.570801       34.51441 
1 1 1 -9  23 13 o 331.597 26.034 23.649  3.6266 23.649  3.6266  0.0000  0.0000 331.597 26.034 ?       ?      0.000000       26.03430 
1 1 1 -9  23 14 o 183.906 22.741 7.3247  1.7334 10.410  2.8732  5.5592  2.1735 217.810 32.113 157.800 33.557 60.01016       46.44695 
1 1 1 -9  23 15 o 258.212 21.343 14.318  2.3130 14.710  3.1735  13.875  3.3782 260.161 29.315 251.846 32.427 8.314850       43.71379 
1 1 1 -9  23 16 o 646.820 17.286 89.083  4.7351 84.158  6.5928  94.330  6.8052 626.842 24.835 663.832 24.207 -36.98999      34.68084 
1 1 1 -9  23 17 o 561.826 14.862 67.155  3.5360 62.012  4.4825  75.627  5.7532 538.933 19.640 594.295 22.859 -55.36194      30.13783 
1 1 1 -9  23 18 o 395.035 14.293 33.211  2.3911 28.231  4.7103  34.939  2.7753 359.559 31.244 404.898 16.185 -45.33902      35.18772 
1 1 1 -9  23 19 o 423.002 15.174 38.133  2.7183 40.567  3.5569  34.714  4.2148 435.436 19.289 400.674 24.963 34.76144       31.54723 
1 1 1 -9  23 20 o 311.634 16.543 20.797  2.1754 25.198  2.8922  15.064  3.3013 342.251 20.042 261.354 30.394 80.89688       36.40738 
1 1 1 -9  23 21 o 459.970 15.471 45.169  3.0136 37.053  3.8145  58.648  4.9155 414.379 21.814 521.849 22.242 -107.4697      31.15382 
1 1 1 -9  23 22 o 263.630 17.431 14.954  1.9351 15.358  2.5686  14.424  2.9425 265.628 23.062 255.868 27.593 9.759857       35.96140 
1 1 1 -9  23 23 o 225.629 18.340 11.017  1.7373 10.877  2.2867  11.208  2.6717 222.260 24.713 224.154 28.812 -1.894394      37.95853 
1 1 1 -9  23 24 o 285.636 14.781 17.527  1.7818 18.144  2.8598  17.135  2.2781 287.462 23.703 281.021 19.258 6.441284       30.54011 
1 1 1 -9  23 25 o 232.711 20.469 11.833  1.9967 0.0000  0.0000  11.833  1.9967 ?       ?      232.711 20.469 0.000000       20.46897 
1 1 1 -9  23 26 o 130.771 24.909 3.8839  1.3291 3.3838  1.6573  4.7853  2.2249 120.155 31.999 141.374 36.803 -21.21858      48.76849 
1 1 1 -9  23 27 o 130.637 26.790 3.9367  1.4324 3.7397  1.8283  4.2499  2.3048 125.199 33.726 132.153 38.701 -6.953796      51.33464 
1 1 1 -9  23 28 o 261.877 18.783 15.013  2.0693 15.551  2.6903  14.234  3.2382 263.665 24.369 247.796 31.575 15.86938       39.88520 
1 1 1 -9  24 1  o 486.156 19.719 50.285  4.0598 50.134  5.5923  50.454  5.9030 483.593 27.420 484.815 28.882 -1.222504      39.82465 
1 1 1 -9  24 2  o 446.438 19.855 42.407  3.7539 41.920  5.1351  42.966  5.5015 442.044 27.568 447.196 29.210 -5.152130      40.16510 
1 1 1 -9  24 3  o 516.583 19.167 56.762  4.1931 53.944  5.7710  59.913  6.1026 501.721 27.263 528.811 27.344 -27.08975      38.61335 
1 1 1 -9  24 4  o 541.349 19.080 62.333  4.3741 64.668  6.0959  59.856  6.2801 550.308 26.157 528.357 28.169 21.95172       38.44041 
1 1 1 -9  24 5  o 431.132 18.656 39.529  3.4063 39.083  4.7034  40.022  4.9397 427.023 26.134 431.939 27.142 -4.916565      37.67909 
1 1 1 -9  24 6  o 635.544 18.207 85.886  4.9003 76.444  6.5705  97.721  7.3559 598.304 25.932 676.521 25.675 -78.21649      36.49213 
1 1 1 -9  24 7  o 690.359 15.378 101.225 4.4959 94.828  7.0971  105.512 5.8105 666.498 25.144 704.181 19.484 -37.68311      31.81000 
1 1 1 -9  24 8  o 381.362 15.809 30.897  2.5532 29.659  4.0724  31.698  3.2773 371.718 26.034 385.364 20.152 -13.64615      32.92199 
1 1 1 -9  24 9  o 251.113 23.281 13.562  2.4477 0.0000  0.0000  13.562  2.4477 ?       ?      251.113 23.281 0.000000       23.28143 
1 1 1 -9  24 10 o 164.126 28.086 5.9226  1.8820 0.0000  0.0000  5.9226  1.8820 ?       ?      164.126 28.086 0.000000       28.08620 
1 1 1 -9  24 11 o 539.610 17.954 61.935  4.1028 0.0000  0.0000  61.935  4.1028 ?       ?      539.610 17.954 0.000000       17.95358 
1 1 1 -9  24 12 o 1042.22 15.809 230.833 6.9778 225.202 11.678  233.960 8.7022 1025.94 26.877 1048.24 19.603 -22.30090      33.26674 
1 1 1 -9  24 13 o 423.270 17.963 38.122  3.2198 43.180  4.5202  32.911  4.5877 449.025 23.856 390.981 27.890 58.04391       36.70109 
1 1 1 -9  24 14 o 549.275 16.465 64.167  3.8300 63.606  5.5817  64.666  5.2649 545.485 24.162 550.337 22.590 -4.851746      33.07782 
1 1 1 -9  24 15 o 527.233 16.370 59.147  3.6551 55.517  5.3859  62.247  4.9765 509.156 24.978 539.863 21.767 -30.70645      33.13184 
1 1 1 -9  24 16 o 312.821 17.456 20.915  2.3034 20.145  3.6261  21.436  2.9823 304.644 28.435 315.758 22.449 -11.11307      36.22859 
1 1 1 -9  24 17 o 391.612 19.796 32.857  3.2724 32.857  3.2724  0.0000  0.0000 391.612 19.796 ?       ?      0.000000       19.79621 
1 1 1 -9  24 18 o 241.851 41.241 13.262  4.0725 13.262  4.0725  0.0000  0.0000 241.851 41.241 ?       ?      0.000000       41.24115 
1 1 1 -9  24 19 o 626.889 19.418 84.166  5.1552 84.166  5.1552  0.0000  0.0000 626.889 19.418 ?       ?      0.000000       19.41821 
1 1 1 -9  24 20 o 305.256 21.332 20.124  2.7403 18.705  4.6350  20.886  3.3977 287.764 39.041 309.514 26.166 -21.74979      46.99908 
1 1 1 -9  24 21 o 241.978 20.893 12.686  2.1200 7.8364  3.1152  16.871  2.8934 183.500 41.107 278.095 24.829 -94.59517      48.02360 
1 1 1 -9  24 22 o 275.898 19.285 16.449  2.2391 18.060  3.1718  14.849  3.1614 286.709 26.420 258.626 29.387 28.08295       39.51726 
1 1 1 -9  24 23 o 257.101 25.961 14.609  2.7879 14.609  2.7879  0.0000  0.0000 257.101 25.961 ?       ?      0.000000       25.96052 
1 1 1 -9  24 24 o 154.772 24.601 5.3624  1.5585 4.5727  2.1190  6.2929  2.3002 139.361 35.735 164.375 34.159 -25.01390      49.43473 
1 1 1 -9  24 25 o 151.938 24.762 5.1896  1.5384 6.2942  2.0286  3.6946  2.3601 165.647 30.024 125.604 39.664 40.04283       49.74643 
1 1 1 -9  24 26 o 69.716  27.734 0.6468  1.2268 -0.3653 1.5395  2.4071  2.0304 64.148  28.455 105.097 36.876 -40.94940      46.57863 
1 1 1 -9  24 27 o 154.160 21.051 5.2986  1.3384 4.9232  1.9994  5.6033  1.8016 143.518 33.505 155.639 28.380 -12.12114      43.90892 
1 1 1 -9  24 28 o 164.762 28.975 6.2946  1.9479 0.0000  0.0000  6.2946  1.9479 ?       ?      164.762 28.975 0.000000       28.97466 
1 1 1 -9  25 1  o 643.385 19.805 88.092  5.3963 83.263  7.4503  93.422  7.8265 623.897 28.198 660.919 27.963 -37.02124      39.71176 
1 1 1 -9  25 2  f 461.667 19.459 45.351  3.8045 42.603  5.2441  48.404  5.5280 445.469 27.939 475.013 27.599 -29.54333      39.27192 
1 1 1 -9  25 3  o 303.173 21.291 19.671  2.7162 18.208  3.9132  21.031  3.7731 289.534 32.475 312.190 28.866 -22.65579      43.44913 
1 1 1 -9  25 4  o 488.476 19.213 50.767  3.9745 48.466  5.4916  53.298  5.7596 475.341 27.396 498.545 27.385 -23.20480      38.73637 
1 1 1 -9  25 5  o 527.608 18.331 59.204  4.0958 59.404  5.5712  58.969  6.0420 527.512 24.939 524.469 27.298 3.043030       36.97429 
1 1 1 -9  25 6  o 259.832 17.987 14.425  1.9671 14.645  2.8928  14.235  2.6828 260.448 26.601 257.042 24.960 3.405945       36.47770 
1 1 1 -9  25 7  f 362.629 15.537 27.935  2.3860 23.154  3.5330  31.944  3.2352 328.256 25.618 386.886 19.812 -58.62976      32.38504 
1 1 1 -9  25 8  o 648.387 15.176 89.300  4.1671 96.903  6.8348  84.802  5.2572 673.846 23.951 631.172 19.668 42.67468       30.99174 
1 1 1 -9  25 9  o 589.941 14.822 73.919  3.7031 73.855  5.9876  73.960  4.7124 588.221 24.036 589.542 18.875 -1.320801      30.56143 
1 1 1 -9  25 10 o 385.739 15.406 31.613  2.5167 33.789  4.0097  30.199  3.2327 397.141 23.953 375.995 20.378 21.14642       31.44871 
1 1 1 -9  25 11 o 395.557 19.497 33.316  3.2660 0.0000  0.0000  33.316  3.2660 ?       ?      395.557 19.497 0.000000       19.49692 
1 1 1 -9  25 12 o 237.837 21.522 12.159  2.1443 0.0000  0.0000  12.159  2.1443 ?       ?      237.837 21.522 0.000000       21.52204 
1 1 1 -9  25 13 o 843.377 26.905 152.399 9.6093 0.0000  0.0000  152.399 9.6093 ?       ?      843.377 26.905 0.000000       26.90471 
1 1 1 -9  25 14 o 433.332 16.600 39.959  3.0462 0.0000  0.0000  39.959  3.0462 ?       ?      433.332 16.600 0.000000       16.59968 
1 1 1 -9  25 15 o 494.629 17.068 52.113  3.5751 0.0000  0.0000  52.113  3.5751 ?       ?      494.629 17.068 0.000000       17.06751 
1 1 1 -9  25 16 o 219.993 20.092 10.427  1.8512 0.0000  0.0000  10.427  1.8512 ?       ?      219.993 20.092 0.000000       20.09208 
1 1 1 -9  25 17 o 248.939 20.122 13.345  2.1032 0.0000  0.0000  13.345  2.1032 ?       ?      248.939 20.122 0.000000       20.12172 
1 1 1 -9  25 18 o 285.418 17.902 17.478  2.1529 0.0000  0.0000  17.478  2.1529 ?       ?      285.418 17.902 0.000000       17.90219 
1 1 1 -9  25 19 o 305.036 17.472 19.961  2.2476 0.0000  0.0000  19.961  2.2476 ?       ?      305.036 17.472 0.000000       17.47171 
1 1 1 -9  25 20 o 483.288 14.455 49.824  2.9585 58.711  5.4907  46.189  3.5119 520.859 24.892 464.422 17.856 56.43716       30.63441 
1 1 1 -9  25 21 o 171.395 19.131 6.3858  1.3649 1.2849  2.8566  7.8949  1.5538 103.471 41.917 190.697 19.514 -87.22662      46.23715 
1 1 1 -9  25 22 o 139.745 21.043 4.3092  1.2067 4.8685  2.0446  4.0102  1.4948 145.048 33.896 133.014 27.447 12.03415       43.61510 
1 1 1 -9  25 23 o 188.096 19.805 7.7324  1.5539 8.9447  2.1358  6.3689  2.2651 200.430 25.758 165.837 33.408 34.59384       42.18467 
1 1 1 -9  25 24 o 328.060 18.378 23.318  2.5430 0.0000  0.0000  23.318  2.5430 ?       ?      328.060 18.378 0.000000       18.37836 
1 1 1 -9  25 25 o 219.508 20.365 10.568  1.8715 0.0000  0.0000  10.568  1.8715 ?       ?      219.508 20.365 0.000000       20.36490 
1 1 1 -9  25 26 o 153.044 26.864 5.3668  1.6776 0.0000  0.0000  5.3668  1.6776 ?       ?      153.044 26.864 0.000000       26.86403 
1 1 1 -9  25 27 o 229.402 22.928 11.736  2.1976 0.0000  0.0000  11.736  2.1976 ?       ?      229.402 22.928 0.000000       22.92777 
1 1 1 -9  26 1  o 107.173 32.950 2.4686  1.6406 0.8751  2.1927  4.4954  2.4729 91.838  36.892 142.132 39.607 -50.29341      54.12708 
1 1 1 -9  26 2  o 278.517 21.342 16.621  2.4981 16.239  3.3698  17.085  3.7222 273.812 29.528 280.421 31.912 -6.609039      43.47749 
1 1 1 -9  26 3  o 563.867 19.213 67.657  4.5880 67.628  6.3932  67.689  6.5881 562.424 26.842 562.513 27.656 -0.8868408E-01 38.53963 
1 1 1 -9  26 4  o 474.825 19.066 47.975  3.8339 53.307  5.3525  42.356  5.4941 498.940 25.416 443.724 29.404 55.21552       38.86610 
1 1 1 -9  26 5  o 397.179 16.118 33.522  2.7111 32.702  4.1443  34.135  3.5844 390.507 25.194 399.720 21.251 -9.213257      32.95994 
1 1 1 -9  26 6  o 288.328 19.586 17.777  2.3774 19.556  3.1134  15.288  3.6819 301.672 24.584 264.622 33.613 37.04980       41.64384 
1 1 1 -9  26 7  o 162.888 20.827 5.7426  1.4038 6.6705  1.9727  4.7907  1.9980 174.494 27.614 146.476 33.002 28.01805       43.03080 
1 1 1 -9  26 8  o 115.893 29.071 2.9899  1.4244 -1.0027 2.4193  5.1080  1.7621 78.871  35.283 152.060 28.409 -73.18898      45.29858 
1 1 1 -9  26 9  o 447.221 15.487 42.499  2.9331 48.056  4.7156  38.992  3.7458 474.493 23.467 427.791 20.676 46.70172       31.27661 
1 1 1 -9  26 10 f 631.147 14.735 84.623  3.9385 84.813  6.4136  84.509  4.9903 630.155 24.033 630.093 18.702 0.6195068E-01  30.45238 
1 1 1 -9  26 11 o 369.562 15.123 29.023  2.3669 28.916  3.8295  29.089  3.0108 366.961 24.787 369.070 19.331 -2.108459      31.43385 
1 1 1 -9  26 12 o 510.402 14.040 55.343  3.0347 51.753  5.0862  57.328  3.7815 491.940 24.414 519.046 17.204 -27.10587      29.86617 
1 1 1 -9  26 13 o 521.748 17.279 57.955  3.8178 59.349  5.2732  56.419  5.5347 526.747 23.639 513.167 25.468 13.57990       34.74763 
1 1 1 -9  26 14 o 683.658 13.989 99.361  4.0503 100.609 7.0360  98.742  4.9532 685.225 24.247 680.843 17.179 4.381958       29.71556 
1 1 1 -9  26 15 o 193.771 19.767 8.1023  1.5994 9.5552  3.0120  7.5318  1.8875 206.744 35.691 185.771 24.597 20.97275       43.34608 
1 1 1 -9  26 16 o 683.033 12.701 99.197  3.6739 98.360  5.5833  99.837  4.8791 678.262 19.438 684.157 16.840 -5.895264      25.71794 
1 1 1 -9  26 17 o 226.551 19.428 11.064  1.8459 8.8242  2.6194  13.273  2.6016 198.889 32.200 246.902 25.236 -48.01248      40.91100 
1 1 1 -9  26 18 o 248.670 14.980 13.234  1.5701 11.890  2.6372  13.972  1.9542 232.745 27.273 254.901 18.224 -22.15674      32.80098 
1 1 1 -9  26 19 o 385.496 14.876 31.709  2.4286 38.503  5.0788  29.695  2.7652 419.525 28.760 372.499 17.529 47.02618       33.68090 
1 1 1 -9  26 20 o 131.188 25.620 3.8558  1.3723 4.9271  3.5892  3.6724  1.4851 147.570 49.097 127.398 28.266 20.17193       56.65213 
1 1 1 -9  26 21 o 266.428 17.278 15.289  1.9390 21.334  4.5893  13.975  2.1393 307.092 35.970 253.921 20.058 53.17120       41.18454 
1 1 1 -9  26 22 o 213.189 19.111 9.8812  1.7071 9.0822  4.8738  9.9929  1.8225 188.810 56.530 214.031 20.352 -25.22057      60.08243 
1 1 1 -9  26 23 f 215.770 19.026 10.140  1.7208 4.4333  4.9156  10.937  1.8370 144.875 56.142 223.974 19.564 -79.09918      59.45276 
1 1 1 -9  26 24 o 218.261 20.856 10.450  1.9043 0.0000  0.0000  10.450  1.9043 ?       ?      218.261 20.856 0.000000       20.85628 
1 1 1 -9  26 25 o 230.516 16.450 11.529  1.5953 12.212  2.6597  11.146  1.9937 232.421 27.559 224.861 21.186 7.560165       34.76131 
1 1 1 -9  26 26 o 171.611 18.643 6.4839  1.3331 8.3752  2.2190  5.4159  1.6675 190.994 28.290 153.655 26.588 37.33961       38.82357 
1 1 1 -9  26 27 o 260.397 16.124 14.732  1.7693 14.855  2.6978  14.640  2.3438 256.929 25.115 256.941 21.744 -0.1171875E-01 33.22033 
1 1 1 -9  27 1  o 60.413  26.844 -0.5004 1.3758 -3.0247 1.9980  1.7754  1.8971 57.508  27.696 98.719  35.542 -41.21017      45.05884 
1 1 1 -9  27 2  o 229.241 24.049 11.338  2.2999 11.519  3.3232  11.171  3.1863 228.685 35.462 225.354 34.484 3.331436       49.46457 
1 1 1 -9  27 3  o 499.319 19.381 53.071  4.0983 54.232  5.7093  51.837  5.8864 502.830 26.909 491.205 28.419 11.62436       39.13729 
1 1 1 -9  27 4  o 237.543 19.993 12.099  1.9926 11.126  3.1027  12.782  2.5995 225.092 33.576 243.262 25.618 -18.16977      42.23331 
1 1 1 -9  27 5  o 274.743 17.624 16.119  2.0397 14.837  3.0258  17.188  2.7615 261.858 27.706 282.884 23.258 -21.02570      36.17356 
1 1 1 -9  27 6  o 435.053 15.552 40.218  2.8654 36.012  4.3202  43.521  3.8286 409.802 25.013 452.053 19.999 -42.25119      32.02554 
1 1 1 -9  27 7  o 257.316 20.779 14.199  2.2450 15.200  3.1610  13.181  3.1889 264.843 28.640 245.826 31.345 19.01689       42.45853 
1 1 1 -9  27 8  o 69.751  28.399 0.4061  1.3189 -0.1133 2.4331  0.6222  1.5694 86.209  37.037 77.778  31.223 8.430695       48.44192 
1 1 1 -9  27 9  o 333.162 16.488 23.602  2.3263 23.603  3.7624  23.602  2.9599 330.924 27.084 332.047 21.160 -1.123016      34.36994 
1 1 1 -9  27 10 o 342.695 15.977 24.970  2.3188 21.733  3.6895  27.084  2.9811 317.234 27.742 355.962 19.855 -38.72797      34.11455 
1 1 1 -9  27 11 o 1038.70 16.000 229.458 7.0379 227.997 11.737  230.277 8.7944 1031.29 26.874 1039.28 19.981 -7.995972      33.48871 
1 1 1 -9  27 12 o 400.193 14.889 34.052  2.5233 38.618  4.2276  31.525  3.1450 424.221 23.625 384.026 19.401 40.19534       30.57067 
1 1 1 -9  27 13 o 420.324 14.395 37.569  2.5624 45.486  4.6253  34.063  3.0779 460.209 23.814 399.728 18.182 60.48151       29.96162 
1 1 1 -9  27 14 o 217.135 18.088 10.126  1.6481 7.8672  3.2424  10.913  1.9138 185.550 42.214 225.073 20.297 -39.52260      46.83981 
1 1 1 -9  27 15 o 125.649 25.310 3.5149  1.3002 0.1001  2.1202  5.5732  1.6460 81.934  34.869 159.076 25.280 -77.14226      43.06869 
1 1 1 -9  27 16 o 183.097 18.061 7.2319  1.3822 2.4324  2.3374  9.8125  1.7139 111.326 39.517 213.325 19.177 -101.9987      43.92404 
1 1 1 -9  27 17 o 387.395 13.373 31.956  2.1939 31.725  3.5075  32.105  2.8119 383.667 21.676 387.601 17.131 -3.933716      27.62827 
1 1 1 -9  27 18 o 230.285 15.146 11.365  1.4689 11.115  2.5015  11.497  1.8147 224.895 26.792 230.896 18.720 -6.001099      32.68391 
1 1 1 -9  27 19 o 413.860 15.551 36.594  2.7255 38.953  3.6533  33.634  4.0930 425.664 20.266 393.382 24.694 32.28271       31.94527 
1 1 1 -9  27 20 o 241.524 15.558 12.527  1.5829 9.3490  2.7575  14.089  1.9330 203.223 33.187 255.619 17.971 -52.39604      37.74004 
1 1 1 -9  27 21 o 236.230 16.078 12.019  1.5989 12.915  2.6309  11.495  2.0134 241.692 26.119 229.648 20.932 12.04457       33.47161 
1 1 1 -9  27 22 o 251.011 15.325 13.568  1.6212 13.480  2.6663  13.619  2.0421 246.437 25.938 250.235 19.422 -3.798599      32.40380 
1 1 1 -9  27 23 o 379.578 13.808 30.866  2.2196 33.993  3.4280  28.608  2.9126 395.078 20.560 363.092 19.008 31.98596       27.99988 
1 1 1 -9  27 24 o 325.295 14.757 22.739  2.0329 26.757  3.4408  20.584  2.5198 348.296 23.464 307.273 19.465 41.02313       30.48657 
1 1 1 -9  27 25 o 169.145 19.243 6.3086  1.3538 8.5025  2.3403  5.2051  1.6598 191.976 29.748 150.555 27.025 41.42166       40.19075 
1 1 1 -9  27 26 o 334.928 19.344 24.595  2.7321 0.0000  0.0000  24.595  2.7321 ?       ?      334.928 19.344 0.000000       19.34446 
1 1 1 -9  28 1  o 272.927 30.113 16.176  3.4226 16.176  3.4226  0.0000  0.0000 272.927 30.113 ?       ?      0.000000       30.11316 
1 1 1 -9  28 2  o 394.261 28.540 33.485  4.7329 33.485  4.7329  0.0000  0.0000 394.261 28.540 ?       ?      0.000000       28.53959 
1 1 1 -9  28 3  o 643.833 16.808 88.146  4.5827 96.849  7.4480  82.843  5.8134 672.854 26.138 623.223 22.026 49.63025       34.18136 
1 1 1 -9  28 4  o 228.506 21.077 11.223  2.0167 11.972  3.1115  10.680  2.6482 233.854 32.278 221.388 28.938 12.46568       43.35120 
1 1 1 -9  28 5  o 177.770 21.369 6.8330  1.5765 5.5618  2.2105  8.1489  2.2491 157.747 34.084 193.019 28.360 -35.27173      44.33992 
1 1 1 -9  28 6  o 1011.44 16.594 217.542 7.1077 178.782 11.355  242.514 9.1141 912.803 29.374 1066.84 20.173 -154.0360      35.63363 
1 1 1 -9  28 7  o 316.596 17.394 21.389  2.3232 20.271  3.8799  22.014  2.9007 305.750 30.366 320.560 21.492 -14.80988      37.20221 
1 1 1 -9  28 8  o 316.216 19.852 21.391  2.6450 25.554  3.7460  17.253  3.7350 344.585 25.859 281.409 31.905 63.17554       41.06824 
1 1 1 -9  28 9  o 210.307 24.080 9.5771  2.1060 9.4468  3.1152  9.6868  2.8581 205.883 37.094 209.479 33.335 -3.595245      49.87122 
1 1 1 -9  28 10 o 82.094  29.441 1.2327  1.3005 0.5411  2.4995  1.4894  1.5229 93.087  38.619 89.456  31.882 3.630753       50.07913 
1 1 1 -9  28 11 o 538.491 14.703 61.657  3.3530 65.223  5.5877  59.651  4.1916 551.953 23.905 528.974 18.711 22.97943       30.35716 
1 1 1 -9  28 12 o 179.613 20.578 6.9797  1.5370 9.5248  2.8181  5.9021  1.8338 207.278 33.226 163.539 27.450 43.73906       43.09899 
1 1 1 -9  28 13 o 302.378 15.020 19.462  1.9233 18.072  3.5066  20.060  2.3002 287.924 29.161 306.157 17.818 -18.23325      34.17341 
1 1 1 -9  28 14 o 222.161 24.263 10.729  2.2456 8.8609  3.1273  12.718  3.2266 197.681 38.741 239.796 32.620 -42.11517      50.64484 
1 1 1 -9  28 15 o 368.577 13.570 28.916  2.1181 27.948  3.3225  29.578  2.7493 360.231 21.883 372.143 17.445 -11.91205      27.98517 
1 1 1 -9  28 16 o 502.409 12.667 53.715  2.6951 55.549  4.1246  52.348  3.5602 509.296 19.123 494.995 16.983 14.30154       25.57623 
1 1 1 -9  28 17 o 337.352 13.779 24.253  1.9686 20.276  3.1160  26.895  2.5396 305.493 24.285 354.676 16.908 -49.18338      29.59152 
1 1 1 -9  28 18 o 402.966 13.248 34.605  2.2608 37.457  3.6111  32.767  2.8993 417.405 20.428 391.183 17.501 26.22144       26.90011 
1 1 1 -9  28 19 o 247.497 18.418 13.218  1.9166 12.593  2.8292  13.748  2.6056 238.430 28.590 250.543 24.887 -12.11345      37.90440 
1 1 1 -9  28 20 o 190.251 18.098 7.8478  1.4406 6.0479  2.5984  8.6465  1.7310 160.528 38.679 199.053 20.843 -38.52512      43.93783 
1 1 1 -9  28 21 f 254.617 15.948 13.970  1.7109 16.881  2.9246  12.455  2.1096 276.554 25.250 238.794 21.077 37.76077       32.89083 
1 1 1 -9  28 22 o 227.935 16.387 11.235  1.5713 14.438  2.6285  9.4535  1.9600 255.431 24.603 206.956 22.738 48.47523       33.50138 
1 1 1 -9  28 23 o 333.299 14.278 23.835  2.0154 22.307  3.1637  24.878  2.6145 318.045 23.658 338.632 18.300 -20.58661      29.90973 
1 1 1 -9  28 24 o 300.600 14.773 19.446  1.8806 23.963  3.0172  16.576  2.4050 329.997 21.711 274.651 20.832 55.34564       30.08887 
1 1 1 -9  28 25 o 271.724 15.656 16.009  1.7939 18.551  3.0331  14.641  2.2247 287.428 25.172 257.638 20.562 29.78915       32.50253 
1 1 1 -9  28 26 o 136.952 21.736 4.2261  1.2185 6.5973  2.1318  3.0754  1.4851 167.291 31.239 113.894 30.271 53.39697       43.49960 
1 1 1 -9  29 1  f 247.592 33.084 13.442  3.3822 0.0000  0.0000  13.442  3.3822 ?       ?      247.592 33.084 0.000000       33.08393 
1 1 1 -9  29 2  o 113.972 41.581 2.3427  2.6088 2.3427  2.6088  0.0000  0.0000 113.972 41.581 ?       ?      0.000000       41.58081 
1 1 1 -9  29 3  o 855.518 21.129 156.122 7.6552 175.298 10.052  129.643 11.812 904.746 26.235 774.214 36.026 130.5323       44.56584 
1 1 1 -9  29 4  o 737.408 16.477 115.658 5.1456 119.147 8.2496  113.436 6.5831 745.933 26.115 729.193 21.318 16.74048       33.71117 
1 1 1 -9  29 5  o 735.377 15.923 114.992 4.9587 102.879 7.7690  123.319 6.4414 692.998 26.472 760.612 19.997 -67.61420      33.17633 
1 1 1 -9  29 6  o 486.948 15.915 50.425  3.2820 49.221  5.0875  51.283  4.2953 478.924 25.172 490.349 20.685 -11.42560      32.58037 
1 1 1 -9  29 7  o 336.201 16.665 24.050  2.3727 23.364  3.7228  24.519  3.0791 329.034 26.953 338.237 21.609 -9.202698      34.54574 
1 1 1 -9  29 8  f 238.819 19.590 12.241  1.9638 8.5670  3.2471  14.360  2.4659 194.838 40.667 258.224 22.783 -63.38672      46.61391 
1 1 1 -9  29 9  o 506.128 17.891 54.575  3.8348 60.483  5.2221  47.660  5.6497 531.716 23.191 469.948 28.522 61.76718       36.76077 
1 1 1 -9  29 10 o 342.008 19.044 25.027  2.7473 24.590  3.9045  25.455  3.8664 337.094 27.593 343.208 26.814 -6.114777      38.47564 
1 1 1 -9  29 11 o 227.640 18.686 11.130  1.7855 6.9476  3.0526  13.304  2.2013 174.459 41.854 248.574 21.111 -74.11526      46.87658 
1 1 1 -9  29 12 o 99.413  32.678 2.0669  1.5918 3.3177  2.6140  1.3297  2.0068 125.404 41.905 93.655  35.987 31.74883       55.23661 
1 1 1 -9  29 13 o 454.847 14.076 44.035  2.7113 45.014  4.7953  43.575  3.2871 456.720 24.886 451.893 17.177 4.827576       30.23850 
1 1 1 -9  29 14 o 155.110 23.925 5.2924  1.5210 5.0608  2.8833  5.3817  1.7904 148.835 43.201 155.398 28.247 -6.562317      51.61588 
1 1 1 -9  29 15 o 325.920 13.961 22.630  1.9269 22.706  2.9817  22.575  2.5251 324.349 21.834 324.284 18.463 0.6567383E-01  28.59420 
1 1 1 -9  29 16 o 250.736 15.591 13.473  1.6473 15.446  2.6874  12.285  2.0849 266.450 24.077 238.239 20.875 28.21100       31.86634 
1 1 1 -9  29 17 o 272.198 14.565 15.854  1.6729 11.576  2.8796  18.034  2.0553 228.135 30.575 289.864 16.815 -61.72925      34.89392 
1 1 1 -9  29 18 o 469.576 12.902 46.999  2.5656 48.318  4.0228  46.095  3.3311 473.921 20.044 463.929 16.955 9.991333       26.25272 
1 1 1 -9  29 19 o 204.740 19.341 9.1005  1.6571 6.6577  2.5353  10.923  2.1896 169.486 36.408 223.231 23.515 -53.74504      43.34194 
1 1 1 -9  29 20 o 240.970 15.963 12.512  1.6198 10.105  2.8840  13.621  1.9577 210.211 33.523 250.718 18.570 -40.50681      38.32260 
1 1 1 -9  29 21 o 325.827 14.080 22.745  1.9428 21.947  3.0993  23.262  2.4936 316.084 23.318 327.818 18.031 -11.73340      29.47654 
1 1 1 -9  29 22 o 215.100 16.707 10.028  1.5099 11.519  2.5271  9.2001  1.8830 226.732 26.840 204.197 22.129 22.53502       34.78571 
1 1 1 -9  29 23 o 496.499 13.627 52.882  2.8653 56.454  4.3869  50.225  3.7840 508.954 20.353 481.202 18.569 27.75250       27.55102 
1 1 1 -9  29 24 o 191.068 17.907 7.9963  1.4320 6.0809  2.3126  9.1875  1.8237 158.989 35.270 203.494 21.487 -44.50522      41.29967 
1 1 1 -9  29 25 o 138.801 22.780 4.3626  1.2926 8.9237  2.2857  2.2183  1.5672 196.862 28.225 98.569  32.426 98.29290       42.98936 
1 1 1 -9  29 26 o 281.768 20.053 17.504  2.3773 0.0000  0.0000  17.504  2.3773 ?       ?      281.768 20.053 0.000000       20.05346 
1 1 1 -9  30 1  f 357.329 32.168 27.789  4.8157 0.0000  0.0000  27.789  4.8157 ?       ?      357.329 32.168 0.000000       32.16804 
1 1 1 -9  30 2  o 114.953 37.041 2.8069  2.0503 0.0000  0.0000  2.8069  2.0503 ?       ?      114.953 37.041 0.000000       37.04083 
1 1 1 -9  30 3  o 241.056 21.106 12.499  2.1329 12.911  3.3012  12.204  2.7945 242.374 33.022 236.664 28.452 5.710312       43.58848 
1 1 1 -9  30 4  o 563.989 20.293 67.873  4.8469 69.338  6.1837  65.539  7.8051 568.736 25.674 549.552 33.700 19.18414       42.36562 
1 1 1 -9  30 5  o 427.281 19.945 38.949  3.6090 39.156  4.4466  38.550  6.1781 426.875 24.703 420.478 35.014 6.396637       42.85071 
1 1 1 -9  30 6  o 517.169 15.518 56.897  3.3987 55.559  5.4070  57.771  4.3699 509.156 25.076 520.364 19.830 -11.20749      31.96943 
1 1 1 -9  30 7  o 180.881 22.963 7.1089  1.7194 8.9304  2.8104  6.0194  2.1736 200.397 34.352 164.175 32.413 36.22224       47.22985 
1 1 1 -9  30 8  f 289.945 17.968 17.988  2.1954 17.719  3.5367  18.156  2.8002 285.214 29.717 290.359 22.960 -5.144653      37.55353 
1 1 1 -9  30 9  o 545.540 15.104 63.333  3.4895 67.421  5.6881  60.867  4.4186 560.762 23.952 533.916 19.542 26.84625       30.91277 
1 1 1 -9  30 10 o 363.612 15.825 28.160  2.4369 32.558  4.0790  25.718  3.0388 388.548 24.920 346.149 20.827 42.39920       32.47740 
1 1 1 -9  30 11 o 108.163 30.428 2.6054  1.4523 1.0044  2.3421  3.6057  1.8512 94.790  38.111 126.491 33.879 -31.70093      50.99243 
1 1 1 -9  30 12 o 480.582 17.471 49.310  3.5557 48.162  4.9358  50.548  5.1266 472.389 24.759 483.848 25.106 -11.45911      35.26041 
1 1 1 -9  30 13 o 258.920 16.556 14.366  1.8059 21.072  3.4931  11.920  2.1097 311.129 26.772 234.747 21.459 76.38254       34.31071 
1 1 1 -9  30 14 o 161.822 24.831 5.7756  1.6474 4.6786  2.9968  6.2506  1.9720 143.710 44.590 167.420 28.856 -23.70952      53.11250 
1 1 1 -9  30 15 o 492.714 13.183 51.711  2.7508 43.831  4.2609  57.342  3.6021 451.146 22.302 518.004 16.420 -66.85870      27.69468 
1 1 1 -9  30 16 o 181.033 18.902 7.1037  1.4278 7.4252  2.5441  6.9559  1.7251 180.669 34.509 178.017 23.453 2.652084       41.72491 
1 1 1 -9  30 17 o 112.824 25.629 2.8705  1.1967 4.4671  2.2238  2.2197  1.4198 139.041 37.084 100.176 30.628 38.86494       48.09664 
1 1 1 -9  30 18 o 162.670 19.031 5.7658  1.2863 6.5949  2.3403  5.4069  1.5396 169.643 33.763 156.146 24.056 13.49696       41.45618 
1 1 1 -9  30 19 o 247.798 18.592 13.300  1.9368 11.668  2.8098  14.777  2.6734 227.999 29.815 259.146 24.657 -31.14693      38.68945 
1 1 1 -9  30 20 o 127.979 24.526 3.6981  1.2809 6.5839  2.3757  2.5154  1.5209 167.978 34.549 105.112 31.603 62.86600       46.82333 
1 1 1 -9  30 21 o 103.932 26.965 2.4796  1.1970 2.4162  2.3097  2.5029  1.3997 108.030 39.169 104.389 30.042 3.640457       49.36294 
1 1 1 -9  30 22 o 96.901  27.220 2.1505  1.1631 4.9005  2.1291  0.9806  1.3887 143.514 35.280 77.669  29.912 65.84486       46.25403 
1 1 1 -9  30 23 o 232.731 16.616 11.771  1.6269 11.289  2.6360  12.068  2.0677 222.416 28.652 233.850 21.107 -11.43465      35.58655 
1 1 1 -9  30 24 o 320.400 14.516 22.140  1.9696 21.121  3.1169  22.817  2.5413 307.241 24.150 322.864 18.666 -15.62308      30.52296 
1 1 1 -9  30 25 o 125.468 23.787 3.6058  1.2177 0.7122  2.1927  4.8961  1.4642 85.491  35.873 146.416 24.478 -60.92549      43.42870 
1 1 1 -9  31 1  o 505.440 17.475 54.464  3.7406 62.407  5.8556  48.988  4.8618 538.940 25.656 477.309 24.130 61.63095       35.22092 
1 1 1 -9  31 2  o 400.929 17.839 34.274  3.0289 30.712  4.6319  36.934  4.0034 376.254 29.300 414.670 22.886 -38.41550      37.17902 
1 1 1 -9  31 3  o 396.150 23.798 33.753  3.9740 0.0000  0.0000  33.753  3.9740 ?       ?      396.150 23.798 0.000000       23.79820 
1 1 1 -9  31 4  o 164.625 35.090 6.1019  2.3716 0.0000  0.0000  6.1019  2.3716 ?       ?      164.625 35.090 0.000000       35.09045 
1 1 1 -9  31 5  o 240.594 22.690 12.500  2.2845 13.820  2.6269  8.4021  4.6279 252.614 24.878 190.450 54.574 62.16368       59.97667 
1 1 1 -9  31 6  o 318.273 24.225 21.849  3.2407 23.532  4.0368  18.799  5.4353 329.024 29.277 288.165 46.092 40.85953       54.60388 
1 1 1 -9  31 7  o 438.852 19.960 41.152  3.7097 40.924  4.7023  41.528  6.0367 435.650 25.600 436.332 32.911 -0.6815796     41.69557 
1 1 1 -9  31 8  o 493.395 15.347 51.837  3.2066 55.515  5.0937  49.422  4.1271 508.652 23.647 480.766 20.271 27.88550       31.14575 
1 1 1 -9  31 9  o 303.502 17.054 19.708  2.1830 18.424  3.6435  20.427  2.7266 290.250 30.078 308.196 21.016 -17.94678      36.69282 
1 1 1 -9  31 10 o 239.464 18.674 12.327  1.8788 8.9531  3.2297  14.053  2.3099 198.280 39.845 255.162 21.579 -56.88255      45.31329 
1 1 1 -9  31 11 o 206.085 20.293 9.1826  1.7481 8.3667  3.0200  9.5937  2.1437 191.692 38.538 209.704 24.607 -18.01212      45.72359 
1 1 1 -9  31 12 o 244.190 28.518 13.099  2.8935 0.0000  0.0000  13.099  2.8935 ?       ?      244.190 28.518 0.000000       28.51776 
1 1 1 -9  31 13 o 324.460 19.595 22.649  2.6799 28.695  3.9585  17.533  3.6412 363.321 25.897 281.841 31.020 81.48044       40.40947 
1 1 1 -9  31 14 o 298.459 19.171 19.179  2.4103 16.756  3.1444  22.630  3.7531 276.539 27.201 321.495 27.841 -44.95605      38.92311 
1 1 1 -9  31 15 o 244.764 18.647 12.921  1.9183 24.886  4.4296  10.159  2.1282 335.352 31.562 215.583 23.702 119.7690       39.47058 
1 1 1 -9  31 16 o 334.305 14.266 23.856  2.0198 21.274  3.3398  25.345  2.5361 312.000 25.500 343.458 17.494 -31.45743      30.92359 
1 1 1 -9  31 17 o 214.870 16.568 9.9498  1.4960 11.565  2.6070  9.1571  1.8267 228.482 27.495 204.880 21.368 23.60236       34.82225 
1 1 1 -9  31 18 o 140.454 21.714 4.3673  1.2499 5.5802  2.3446  3.8857  1.4773 154.483 36.430 130.755 27.549 23.72748       45.67370 
1 1 1 -9  31 19 o 164.241 24.429 6.0202  1.6474 9.0944  2.6459  4.0741  2.1052 199.219 32.481 131.614 36.497 67.60570       48.85722 
1 1 1 -9  31 20 o 82.067  26.463 1.4634  1.0463 0.0446  2.1953  1.8804  1.1902 80.839  34.956 91.581  28.049 -10.74218      44.81799 
1 1 1 -9  31 21 o 204.537 17.810 9.1104  1.5273 3.8998  2.5813  11.917  1.8945 128.408 41.581 233.592 19.325 -105.1836      45.85196 
1 1 1 -9  31 22 o 178.951 18.191 7.0142  1.3594 7.3554  2.3783  6.8486  1.6567 177.100 32.923 175.146 22.883 1.954514       40.09422 
1 1 1 -9  31 23 o 84.281  29.411 1.4989  1.2907 1.7386  2.1300  1.3598  1.6224 96.359  37.064 85.777  32.500 10.58202       49.29452 
1 1 1 -9  31 24 o 292.312 18.572 18.737  2.2871 19.425  3.0512  17.855  3.4553 293.806 24.753 277.987 29.816 15.81906       38.75162 
1 1 1 -9  31 25 o 97.954  29.680 2.2394  1.3376 0.6465  2.2203  3.1470  1.6759 85.123  35.928 114.440 32.855 -29.31676      48.68563 
1 1 1 -9  32 1  o 128.142 36.936 3.6844  2.1143 1.4117  2.8219  6.5932  3.1925 105.575 42.042 169.198 44.104 -63.62340      60.93178 
1 1 1 -9  32 2  o 475.030 17.021 48.128  3.4241 48.080  5.4642  48.158  4.3937 471.315 27.496 474.067 21.885 -2.752319      35.14201 
1 1 1 -9  32 3  f 382.004 17.706 31.139  2.8643 26.088  4.2828  35.227  3.8529 346.122 29.500 404.730 22.569 -58.60846      37.14260 
1 1 1 -9  32 4  o 203.477 36.225 9.2955  3.0071 0.0000  0.0000  9.2955  3.0071 ?       ?      203.477 36.225 0.000000       36.22457 
1 1 1 -9  32 5  o 225.315 26.818 11.088  2.5086 0.0000  0.0000  11.088  2.5086 ?       ?      225.315 26.818 0.000000       26.81770 
1 1 1 -9  32 6  f 353.309 21.766 26.848  3.2409 0.0000  0.0000  26.848  3.2409 ?       ?      353.309 21.766 0.000000       21.76647 
1 1 1 -9  32 7  o 371.992 16.465 29.509  2.5938 30.896  4.0614  28.554  3.3708 377.945 25.524 364.288 21.952 13.65714       33.66590 
1 1 1 -9  32 8  o 117.128 39.094 2.8956  2.2750 4.9389  2.8063  -1.0217 3.8857 147.281 42.583 101.497 45.106 45.78417       62.03105 
1 1 1 -9  32 9  o 728.681 18.476 113.524 5.7015 120.904 7.7615  104.874 8.4028 749.283 24.460 695.759 28.518 53.52386       37.57101 
1 1 1 -9  32 10 o 163.277 33.215 6.0257  2.2185 7.6458  2.8956  3.7227  3.4523 182.849 38.605 135.072 48.017 47.77715       61.61199 
1 1 1 -9  32 11 o 213.502 24.973 9.9681  2.2153 9.8843  2.8478  10.096  3.5253 210.157 33.093 209.628 41.179 0.5288544      52.82846 
1 1 1 -9  32 12 o 112.800 30.360 2.8725  1.4823 0.5895  2.6312  3.9339  1.7941 94.440  39.439 131.468 32.426 -37.02732      51.05751 
1 1 1 -9  32 13 o 412.882 14.522 36.369  2.5392 41.142  4.5394  34.195  3.0633 435.412 24.720 399.526 18.105 35.88614       30.64124 
1 1 1 -9  32 14 o 350.625 17.872 26.412  2.6449 23.106  3.3292  32.071  4.3552 325.864 24.300 383.041 27.021 -57.17694      36.34045 
1 1 1 -9  32 15 o 184.418 25.140 7.5092  1.9122 4.0503  2.4388  13.029  3.0810 132.943 40.031 241.765 30.791 -108.8226      50.50273 
1 1 1 -9  32 16 o 275.722 18.955 16.425  2.1999 16.431  2.8755  16.416  3.4160 273.756 25.082 271.578 30.213 2.178040       39.26777 
1 1 1 -9  32 17 o 369.763 13.666 29.217  2.1399 25.330  3.4738  31.595  2.7165 340.175 24.272 383.645 16.720 -43.46945      29.47397 
1 1 1 -9  32 18 o 276.095 14.967 16.391  1.7434 14.254  2.9177  17.578  2.1743 252.717 27.717 284.954 18.112 -32.23634      33.10980 
1 1 1 -9  32 19 o 357.153 19.257 27.714  2.9018 29.080  4.7524  26.902  3.6642 358.340 31.642 348.877 24.966 9.463226       40.30507 
1 1 1 -9  32 20 o 208.581 20.360 9.5488  1.7755 8.5949  2.7758  10.209  2.3098 191.141 35.602 213.413 26.101 -22.27255      44.14471 
1 1 1 -9  32 21 o 176.539 24.093 6.9857  1.7542 7.2071  2.5699  6.7925  2.4004 173.879 36.083 169.387 34.632 4.492233       50.01298 
1 1 1 -9  32 22 o 346.447 17.963 26.161  2.6264 26.254  3.5636  26.051  3.8861 342.757 24.716 339.525 27.257 3.232574       36.79400 
1 1 1 -9  32 23 o 84.044  28.878 1.5231  1.2421 1.0403  2.0145  1.8192  1.5776 86.491  35.143 91.940  32.483 -5.448151      47.85608 
1 1 1 -9  32 24 o 122.314 25.409 3.4698  1.2731 4.8102  2.4168  2.9550  1.4978 138.336 39.370 111.295 30.755 27.04068       49.95853 
1 1 1 -9  33 1  o 481.804 17.591 49.591  3.5892 48.464  5.5480  50.402  4.7069 472.405 27.855 484.229 22.953 -11.82483      36.09351 
1 1 1 -9  33 2  o 399.781 20.359 34.325  3.4354 33.100  4.6442  35.805  5.1052 390.015 28.311 405.067 29.973 -15.05173      41.23030 
1 1 1 -9  33 3  o 425.871 17.777 38.744  3.2061 41.046  4.9850  37.120  4.1869 434.991 27.197 414.712 23.942 20.27896       36.23418 
1 1 1 -9  33 4  o 456.604 16.947 44.503  3.2770 37.174  4.8999  50.433  4.4079 413.526 28.147 484.906 21.465 -71.38013      35.39772 
1 1 1 -9  33 5  o 452.396 16.434 43.668  3.1485 39.212  4.6440  47.459  4.2831 425.562 25.892 470.349 21.503 -44.78717      33.65606 
1 1 1 -9  33 6  o 497.025 20.599 52.949  4.3358 0.0000  0.0000  52.949  4.3358 ?       ?      497.025 20.599 0.000000       20.59927 
1 1 1 -9  33 7  o 218.994 28.322 10.555  2.5651 0.0000  0.0000  10.555  2.5651 ?       ?      218.994 28.322 0.000000       28.32238 
1 1 1 -9  33 8  o 457.089 20.346 44.802  3.9384 0.0000  0.0000  44.802  3.9384 ?       ?      457.089 20.346 0.000000       20.34564 
1 1 1 -9  33 9  o 137.477 32.662 4.2964  1.8735 0.0000  0.0000  4.2964  1.8735 ?       ?      137.477 32.662 0.000000       32.66208 
1 1 1 -9  33 10 o 258.681 17.336 14.374  1.8882 12.506  3.0864  15.491  2.3870 237.261 31.496 267.664 21.232 -30.40263      37.98407 
1 1 1 -9  33 11 f 182.135 30.282 7.4238  2.2537 7.1260  2.9067  7.8727  3.5686 175.387 40.019 182.708 46.117 -7.320419      61.05955 
1 1 1 -9  33 12 o 95.122  38.678 0.9753  2.4424 0.9753  2.4424  0.0000  0.0000 95.122  38.678 ?       ?      0.000000       38.67818 
1 1 1 -9  33 13 o 111.438 32.943 2.7920  1.6630 4.3023  2.7757  1.9463  2.0770 137.345 42.963 101.560 37.095 35.78468       56.76111 
1 1 1 -9  33 14 o 253.161 20.737 13.898  2.2038 12.028  3.2654  15.463  2.9865 230.587 34.499 265.043 26.984 -34.45654      43.79838 
1 1 1 -9  33 15 o 349.092 18.622 26.275  2.7430 29.001  4.2043  24.254  3.6195 363.044 27.551 332.579 25.903 30.46478       37.81559 
1 1 1 -9  33 16 o 284.066 17.486 17.408  2.0933 15.122  2.9164  19.837  3.0065 261.441 26.716 301.027 23.777 -39.58575      35.76428 
1 1 1 -9  33 17 o 219.738 30.213 10.916  2.7371 10.916  2.7371  0.0000  0.0000 219.738 30.213 ?       ?      0.000000       30.21292 
1 1 1 -9  33 18 o 65.876  30.636 -1.5960 2.0680 -1.5960 2.0680  0.0000  0.0000 65.876  30.636 ?       ?      0.000000       30.63637 
1 1 1 -9  33 19 o 363.534 32.532 30.149  4.9555 30.149  4.9555  0.0000  0.0000 363.534 32.532 ?       ?      0.000000       32.53232 
1 1 1 -9  33 20 o 148.383 30.268 5.1190  1.8375 6.0841  2.5852  4.1335  2.6124 158.298 38.852 131.087 41.766 27.21150       57.04293 
1 1 1 -9  33 21 o 155.587 31.100 5.6827  1.9775 5.7003  3.1580  5.6714  2.5364 149.650 45.663 151.709 39.198 -2.058685      60.17948 
1 1 1 -9  33 22 o 122.700 34.014 3.6407  1.8288 4.9807  2.7490  2.5768  2.4495 140.109 42.571 108.715 40.190 31.39407       58.54485 
1 1 1 -9  33 23 o 164.378 27.745 6.2760  1.8626 7.9105  2.7268  4.8461  2.5504 179.299 37.134 138.227 40.777 41.07152       55.15117 
1 1 1 -9  33 24 o 241.946 22.287 13.091  2.2579 10.925  3.1510  15.376  3.2369 211.869 36.433 256.836 30.347 -44.96744      47.41570 
1 1 1 -9  34 1  o 465.994 17.692 46.443  3.4914 47.845  5.4460  45.465  4.5493 468.914 27.546 458.751 23.496 10.16290       36.20495 
1 1 1 -9  34 2  o 286.116 20.766 17.659  2.4991 19.302  3.7648  16.365  3.3414 296.176 30.449 272.852 29.381 23.32471       42.31268 
1 1 1 -9  34 3  o 151.707 34.512 5.2441  2.1673 4.2414  2.8930  6.5267  3.2718 137.843 43.955 167.341 45.133 -29.49773      63.00045 
1 1 1 -9  34 4  o 141.896 33.070 4.5779  1.9505 3.5408  2.8125  5.5389  2.7073 128.642 43.465 154.907 40.729 -26.26495      59.56562 
1 1 1 -9  34 5  o 107.100 35.556 2.4275  1.8828 3.6978  2.7763  1.3459  2.5619 130.367 43.171 100.957 40.104 29.40986       58.92464 
1 1 1 -9  34 6  o 157.441 25.532 5.4874  1.6441 4.8683  2.6115  5.8939  2.1160 145.520 40.754 161.554 32.060 -16.03442      51.85314 
1 1 1 -9  34 7  o 288.369 18.127 17.868  2.2025 16.322  3.4545  18.927  2.8588 271.918 30.526 295.532 23.024 -23.61368      38.23583 
1 1 1 -9  34 8  o 423.179 15.834 38.246  2.8376 41.261  4.5734  36.358  3.6182 436.168 24.862 410.811 20.866 25.35675       32.45795 
1 1 1 -9  34 9  o 525.372 18.699 59.170  4.1603 0.0000  0.0000  59.170  4.1603 ?       ?      525.372 18.699 0.000000       18.69881 
1 1 1 -9  34 10 o 104.185 32.781 2.3780  1.6133 0.0000  0.0000  2.3780  1.6133 ?       ?      104.185 32.781 0.000000       32.78067 
1 1 1 -9  34 11 o 357.255 26.545 27.897  3.9874 0.0000  0.0000  27.897  3.9874 ?       ?      357.255 26.545 0.000000       26.54461 
1 1 1 -9  34 12 o 373.862 17.882 29.977  2.8311 0.0000  0.0000  29.977  2.8311 ?       ?      373.862 17.882 0.000000       17.88162 
1 1 1 -9  34 13 f 335.366 17.192 24.175  2.4334 24.803  5.7442  24.038  2.6864 327.891 42.357 333.835 19.081 -5.943970      46.45666 
1 1 1 -9  34 14 o 258.750 19.629 14.506  2.1349 6.6274  4.9960  16.266  2.3613 166.934 57.886 273.800 20.514 -106.8657      61.41342 
1 1 1 -9  34 15 o 381.151 18.205 31.278  2.9386 0.0000  0.0000  31.278  2.9386 ?       ?      381.151 18.205 0.000000       18.20542 
1 1 1 -9  34 16 o 568.841 17.611 69.729  4.2424 0.0000  0.0000  69.729  4.2424 ?       ?      568.841 17.611 0.000000       17.61062 
1 1 1 -9  34 17 o 84.610  29.232 1.4835  1.2735 0.0000  0.0000  1.4835  1.2735 ?       ?      84.610  29.232 0.000000       29.23159 
1 1 1 -9  34 18 o 197.168 21.513 8.5788  1.7672 0.0000  0.0000  8.5788  1.7672 ?       ?      197.168 21.513 0.000000       21.51323 
1 1 1 -9  34 19 o 96.145  31.093 2.0687  1.4437 3.6498  3.1071  1.6334  1.6304 126.601 45.494 90.525  32.895 36.07566       56.14138 
1 1 1 -9  34 20 f 369.875 15.623 29.530  2.4471 31.460  5.0294  28.931  2.8010 369.205 32.498 364.907 18.125 4.298218       37.21093 
1 1 1 -9  34 21 o 202.582 18.707 9.0309  1.5868 5.2975  3.3610  10.102  1.8000 143.162 47.505 213.729 20.124 -70.56723      51.59200 
1 1 1 -9  34 22 o 316.054 18.413 21.913  2.4538 25.129  3.3696  18.282  3.5803 334.605 23.938 280.111 30.684 54.49429       38.91673 
1 1 1 -9  34 23 o 121.556 31.497 3.5610  1.6346 4.3887  2.2946  2.7082  2.3290 132.240 38.583 108.902 39.356 23.33813       55.11393 
1 1 1 -9  35 1  o 691.549 17.011 102.302 4.9820 110.188 7.9632  97.231  6.3862 712.647 26.386 671.669 22.451 40.97821       34.64502 
1 1 1 -9  35 2  o 111.370 34.896 2.7327  1.8304 3.9518  2.7313  1.7389  2.4661 133.056 42.739 103.740 39.886 29.31580       58.45928 
1 1 1 -9  35 3  o 85.012  34.377 0.7763  1.9177 -1.7017 2.8229  2.8999  2.6132 80.356  36.800 118.968 41.830 -38.61272      55.71381 
1 1 1 -9  35 4  o 226.527 26.978 11.287  2.5371 12.829  3.2914  9.0293  3.9827 239.488 33.359 194.999 48.444 44.48961       58.81854 
1 1 1 -9  35 5  o 279.489 24.704 17.021  2.8939 17.125  3.9290  16.897  4.2784 276.853 34.241 273.386 37.980 3.467804       51.13667 
1 1 1 -9  35 6  o 112.642 29.931 2.8709  1.4521 3.9886  2.3459  2.1766  1.8490 132.283 39.132 102.742 35.239 29.54049       52.65979 
1 1 1 -9  35 7  o 99.571  29.654 2.2005  1.3437 -0.1345 2.2281  3.5352  1.6846 81.167  35.157 124.570 31.818 -43.40343      47.41734 
1 1 1 -9  35 8  o 647.407 15.232 89.528  4.1761 91.387  6.8036  88.404  5.2899 649.492 24.736 641.566 19.470 7.925720       31.47882 
1 1 1 -9  35 9  o 212.242 20.575 9.7816  1.8261 14.611  2.9983  6.9339  2.3023 257.425 27.952 174.980 32.258 82.44501       42.68399 
1 1 1 -9  35 10 o 254.245 17.934 13.931  1.9186 10.185  3.2690  15.898  2.3696 210.543 38.064 270.902 20.814 -60.35931      43.38339 
1 1 1 -9  35 11 o 170.691 26.146 6.4788  1.8298 3.3352  2.8529  8.6759  2.3850 125.185 43.724 196.916 29.509 -71.73141      52.74971 
1 1 1 -9  35 12 o 203.398 18.172 8.9558  1.5488 11.104  3.0980  8.2398  1.7884 221.160 34.180 193.984 22.168 27.17609       40.73894 
1 1 1 -9  35 13 o 159.202 20.720 5.5626  1.3638 4.7760  2.4953  5.8977  1.6286 142.565 39.806 162.964 24.345 -20.39848      46.66063 
1 1 1 -9  35 14 o 115.669 27.053 3.0527  1.3016 5.9798  2.2286  1.5374  1.6034 160.642 33.827 89.663  32.616 70.97899       46.99031 
1 1 1 -9  35 15 o 105.502 27.085 2.5489  1.2163 2.0022  2.4275  2.7321  1.4055 104.444 39.711 108.975 29.661 -4.531326      49.56504 
1 1 1 -9  35 16 o 234.797 15.706 11.909  1.5527 13.198  2.8275  11.352  1.8580 242.225 28.084 228.027 19.425 14.19759       34.14787 
1 1 1 -9  35 17 o 143.449 21.759 4.5890  1.2804 3.8325  2.3951  4.8917  1.5150 127.035 39.936 147.005 25.245 -19.96973      47.24637 
1 1 1 -9  35 18 o 79.164  26.356 1.3409  1.0342 -0.3087 2.1388  1.8444  1.1815 76.385  33.728 90.510  27.985 -14.12495      43.82567 
1 1 1 -9  35 19 o 129.509 33.126 3.9969  1.8241 0.0000  0.0000  3.9969  1.8241 ?       ?      129.509 33.126 0.000000       33.12571 
1 1 1 -9  35 20 o 143.119 24.177 4.6673  1.4132 1.3676  4.4079  5.0453  1.4919 114.273 49.473 148.776 24.534 -34.50359      55.22229 
1 1 1 -9  35 21 o 127.718 26.717 3.8093  1.3986 4.2485  3.3561  3.7169  1.5386 130.441 47.227 125.040 29.527 5.400574       55.69765 
1 1 1 -9  35 22 o 173.758 22.361 6.8081  1.6072 11.111  4.6467  6.2233  1.7130 197.579 53.995 164.608 25.389 32.97107       59.66677 
1 1 1 -9  36 1  o 150.217 31.030 5.1222  1.9087 6.2175  2.9521  4.3355  2.5019 162.790 42.400 137.253 40.359 25.53661       58.53722 
1 1 1 -9  36 2  o 259.067 20.858 14.537  2.2690 14.131  3.4428  14.849  3.0168 251.186 33.177 259.613 27.876 -8.427750      43.33364 
1 1 1 -9  36 3  o 144.779 32.720 4.7903  1.9590 7.9805  2.9652  2.3195  2.6095 185.743 38.941 111.656 41.441 74.08727       56.86621 
1 1 1 -9  36 4  o 189.238 27.675 7.9548  2.1523 5.4454  3.1882  10.056  2.9175 152.717 45.721 211.045 33.782 -58.32768      56.84768 
1 1 1 -9  36 5  o 141.912 36.539 4.6504  2.2091 2.9151  2.8719  7.1651  3.4572 120.763 43.693 173.729 46.193 -52.96599      63.58319 
1 1 1 -9  36 6  o 136.348 29.074 4.2113  1.6275 1.6803  2.4599  6.1818  2.1705 102.664 39.735 164.956 32.226 -62.29204      51.16039 
1 1 1 -9  36 7  o 84.246  30.319 1.3411  1.3805 1.7887  2.5554  1.1566  1.6405 104.919 40.529 85.168  32.581 19.75139       52.00121 
1 1 1 -9  36 8  o 193.430 20.384 8.1426  1.6446 9.2890  2.6760  7.4468  2.0848 202.973 32.208 182.760 27.814 20.21306       42.55537 
1 1 1 -9  36 9  o 179.034 22.020 7.0245  1.6344 5.7523  2.6916  7.7675  2.0570 156.566 40.344 186.986 26.738 -30.41960      48.39967 
1 1 1 -9  36 10 o 165.930 23.013 6.0720  1.5736 3.6996  2.5859  7.4672  1.9830 128.115 41.629 183.301 26.299 -55.18556      49.23995 
1 1 1 -9  36 11 o 234.216 21.097 11.949  2.0701 9.3853  3.1127  13.982  2.7720 201.089 37.943 251.621 26.407 -50.53200      46.22757 
1 1 1 -9  36 12 o 113.975 25.772 2.9487  1.2147 -0.9477 2.5966  4.0404  1.3744 80.526  36.247 134.017 25.140 -53.49039      44.11173 
1 1 1 -9  36 13 o 174.079 20.631 6.6520  1.4913 9.6801  2.4403  4.8469  1.8841 207.536 28.520 144.826 31.607 62.70955       42.57240 
1 1 1 -9  36 14 o 122.706 25.476 3.4251  1.2805 1.9730  2.1894  4.1801  1.5787 101.549 37.906 134.917 28.522 -33.36797      47.43829 
1 1 1 -9  36 15 o 63.479  25.924 0.3871  1.1033 -1.9768 2.3176  1.0799  1.2546 68.227  31.960 77.266  28.723 -9.039223      42.97042 
1 1 1 -9  36 16 o 146.696 22.793 4.8196  1.3700 6.5322  2.9642  4.3544  1.5449 162.670 42.544 137.695 27.457 24.97495       50.63494 
1 1 1 -9  36 17 o 229.378 15.886 11.397  1.5336 13.480  2.6091  10.298  1.8957 245.418 25.475 216.166 20.972 29.25179       32.99731 
1 1 1 -9  36 18 o 97.664  27.200 2.2044  1.1667 2.1549  2.2974  2.2216  1.3543 103.436 38.786 98.272  29.885 5.163765       48.96375 
1 1 1 -9  36 19 o 147.333 29.561 5.0943  1.7803 11.488  3.6115  3.0418  2.0462 215.016 41.161 113.273 37.041 101.7421       55.37431 
1 1 1 -9  36 20 f 109.243 26.590 2.7998  1.2185 1.8637  2.2873  3.1707  1.4399 98.542  38.266 115.457 29.377 -16.91525      48.24177 
1 1 1 -9  36 21 o 190.738 18.426 8.0376  1.4698 8.4329  2.3778  7.7931  1.8699 188.833 30.796 184.936 24.477 3.896881       39.33818 
1 1 1 -9  36 22 o 120.025 25.533 3.3619  1.2579 7.2705  2.3992  1.8801  1.4773 173.051 33.951 91.651  31.494 81.39979       46.30896 
1 1 1 -9  37 1  o 129.993 39.492 3.8748  2.3659 1.5643  2.8091  9.5130  4.3882 105.285 41.941 197.167 51.859 -91.88260      66.69642 
1 1 1 -9  37 2  o 335.405 19.083 24.265  2.6994 22.581  4.0789  25.577  3.6007 318.978 30.570 342.171 25.022 -23.19254      39.50428 
1 1 1 -9  37 3  o 314.154 20.006 21.334  2.6478 22.775  4.1880  20.374  3.4176 320.039 31.301 304.529 26.772 15.51056       41.18808 
1 1 1 -9  37 4  o 392.236 18.292 33.041  3.0384 31.509  4.7544  34.099  3.9505 377.543 29.983 395.940 23.668 -18.39743      38.19894 
1 1 1 -9  37 5  o 370.764 18.076 29.517  2.8382 27.627  4.2306  31.064  3.8272 354.075 28.454 377.639 24.056 -23.56427      37.26044 
1 1 1 -9  37 6  o 374.816 16.586 30.105  2.6327 31.261  4.1939  29.353  3.3822 377.696 26.386 367.915 21.805 9.781250       34.22921 
1 1 1 -9  37 7  o 443.184 18.908 42.254  3.5487 46.083  4.9477  38.197  5.0928 459.213 25.542 416.029 29.089 43.18402       38.71153 
1 1 1 -9  37 8  o 136.272 26.227 4.1820  1.4586 4.0068  2.4102  4.2832  1.8322 131.689 39.827 136.417 32.228 -4.728149      51.23322 
1 1 1 -9  37 9  o 153.932 24.420 5.2763  1.5388 6.4416  2.8159  4.7801  1.8374 164.935 40.589 144.438 30.968 20.49712       51.05424 
1 1 1 -9  37 10 o 183.255 21.141 7.3610  1.6106 8.6644  2.8406  6.7435  1.9552 193.456 35.998 173.260 27.572 20.19571       45.34352 
1 1 1 -9  37 11 o 200.804 24.286 8.9261  2.0233 8.5891  3.0011  9.2068  2.7394 191.085 38.418 200.284 33.479 -9.198944      50.95890 
1 1 1 -9  37 12 o 112.496 27.299 2.9026  1.2873 4.4927  2.6378  2.4055  1.4749 137.376 41.692 102.952 31.160 34.42472       52.04966 
1 1 1 -9  37 13 o 256.899 16.670 14.278  1.8038 17.672  3.0217  12.398  2.2484 282.077 25.573 237.162 22.662 44.91536       34.16942 
1 1 1 -9  37 14 o 128.186 25.367 3.7443  1.3283 3.5132  2.4318  3.8426  1.5858 122.727 40.393 128.546 29.724 -5.818489      50.15065 
1 1 1 -9  37 15 o 276.098 15.298 16.458  1.7817 14.817  3.2262  17.179  2.1372 254.763 30.510 281.043 18.052 -26.28021      35.45031 
1 1 1 -9  37 16 o 69.132  26.964 0.7165  1.1396 4.6665  2.5762  -0.2444 1.2707 138.039 41.048 59.178  26.070 78.86093       48.62735 
1 1 1 -9  37 17 o 124.377 23.623 3.5215  1.1988 0.4470  2.2084  4.8058  1.4274 83.819  35.627 145.677 23.971 -61.85830      42.94086 
1 1 1 -9  37 18 o 153.154 21.519 5.2591  1.3572 6.0559  2.4506  4.9066  1.6300 156.868 37.413 145.412 27.477 11.45561       46.41883 
1 1 1 -9  37 19 o 65.374  28.616 -0.1092 1.5094 4.3333  3.1965  -1.3840 1.7124 130.957 46.241 58.951  27.569 72.00600       53.83587 
1 1 1 -9  37 20 o 56.187  24.197 0.0198  1.0433 -4.1869 2.2248  1.2058  1.1813 54.882  27.029 77.299  28.014 -22.41666      38.92722 
1 1 1 -9  37 21 o 111.069 28.160 2.9343  1.3264 3.6696  2.3547  2.5925  1.6053 121.222 39.740 104.199 32.685 17.02361       51.45478 
1 1 1 -9  38 1  o 68.306  31.529 -1.4812 2.1294 -2.2804 2.5785  0.2327  3.7761 71.926  33.698 105.576 45.749 -33.64940      56.82039 
1 1 1 -9  38 2  o 286.194 20.273 17.774  2.4412 15.551  3.6242  19.620  3.3029 262.207 33.396 298.317 26.417 -36.10962      42.58107 
1 1 1 -9  38 3  o 359.056 18.213 27.804  2.7604 26.452  4.3338  28.727  3.5806 344.897 29.969 362.851 23.427 -17.95416      38.03897 
1 1 1 -9  38 4  o 195.697 25.465 8.4893  2.0604 8.2024  3.1390  8.7064  2.7312 186.301 40.907 194.863 34.351 -8.562134      53.41706 
1 1 1 -9  38 5  o 162.453 31.200 6.0247  2.0685 7.1327  3.2458  5.2671  2.6841 172.286 44.254 149.130 41.155 23.15645       60.43282 
1 1 1 -9  38 6  o 190.237 24.087 7.9973  1.8971 8.5973  2.7531  7.4548  2.6177 193.240 34.927 179.331 35.724 13.90903       49.96082 
1 1 1 -9  38 7  o 154.604 25.843 5.3596  1.6323 6.9358  2.9228  4.6451  1.9678 170.713 40.954 141.501 33.378 29.21245       52.83303 
1 1 1 -9  38 8  o 88.397  32.008 1.5053  1.5416 4.6753  2.4422  -0.5945 1.9877 140.610 39.423 71.997  32.111 68.61253       50.84547 
1 1 1 -9  38 9  o 151.233 27.122 5.1761  1.6732 -0.8422 2.4631  10.333  2.2801 78.686  35.371 215.704 25.450 -137.0179      43.57579 
1 1 1 -9  38 10 o 163.764 23.273 5.9650  1.5686 8.0794  2.7638  4.9603  1.9052 185.539 36.475 146.262 31.675 39.27669       48.30877 
1 1 1 -9  38 11 o 241.841 21.530 12.838  2.1820 16.044  3.2864  10.311  2.9179 266.618 29.606 211.121 33.775 55.49638       44.91407 
1 1 1 -9  38 12 o 119.388 26.037 3.2661  1.2794 4.9483  2.3139  2.5255  1.5354 143.568 37.609 104.892 31.802 38.67633       49.25237 
1 1 1 -9  38 13 o 74.617  28.655 0.9091  1.2719 -0.8518 2.2457  1.7408  1.5433 74.105  33.499 91.362  32.145 -17.25747      46.42709 
1 1 1 -9  38 14 o 81.941  29.268 1.3455  1.2841 2.1228  2.4663  1.0565  1.5040 104.995 40.001 80.358  31.079 24.63677       50.65538 
1 1 1 -9  38 15 o 291.075 15.465 18.318  1.8995 19.387  3.3845  17.826  2.2950 293.071 27.594 285.600 19.085 7.471832       33.55122 
1 1 1 -9  38 16 o 165.201 20.201 6.0517  1.3839 7.4016  2.7283  5.5841  1.6058 174.197 38.048 156.753 25.031 17.44357       45.54378 
1 1 1 -9  38 17 o 147.699 21.490 4.8997  1.3048 5.9974  2.3602  4.4166  1.5658 156.530 36.309 137.563 27.833 18.96750       45.74951 
1 1 1 -9  38 18 o 50.347  22.835 -0.5047 1.0536 -2.8948 2.2944  0.1339  1.1860 61.790  29.739 61.132  26.050 0.6583405      39.53440 
1 1 1 -9  38 19 o 87.297  28.300 1.7355  1.1954 -3.1338 3.4695  2.3914  1.2734 78.750  37.541 100.473 28.572 -21.72259      47.17720 
1 1 1 -9  38 20 o 96.920  28.176 2.2180  1.2256 1.3912  2.3756  2.5178  1.4307 93.553  38.105 102.682 30.603 -9.128662      48.87232 
1 1 1 -9  39 1  o 185.912 31.626 7.9216  2.4008 6.7309  2.9402  10.304  4.1587 166.943 41.708 203.354 48.892 -36.41051      64.26505 
1 1 1 -9  39 2  o 131.307 38.978 4.0606  2.3245 4.8473  2.8661  2.5485  3.9735 142.335 43.515 123.880 49.699 18.45585       66.05694 
1 1 1 -9  39 3  o 252.267 27.093 14.174  2.8490 18.958  3.4881  4.5868  4.9382 291.313 28.644 146.610 56.423 144.7033       63.27729 
1 1 1 -9  39 4  o 137.482 33.344 4.4106  1.9214 3.2530  2.8108  5.4259  2.6325 122.310 43.343 150.546 40.434 -28.23601      59.27498 
1 1 1 -9  39 5  o 131.496 32.439 4.0251  1.7953 3.6297  2.8272  4.2924  2.3239 126.851 43.570 134.726 38.692 -7.874817      58.27039 
1 1 1 -9  39 6  o 226.031 20.890 11.180  1.9770 10.129  2.9365  12.051  2.6738 209.475 34.289 231.982 27.769 -22.50595      44.12275 
1 1 1 -9  39 7  o 75.999  30.155 0.7781  1.4469 3.6465  2.6336  -0.4622 1.7317 125.959 42.062 67.730  30.105 58.22866       51.72550 
1 1 1 -9  39 8  o 114.637 28.645 3.0342  1.3867 4.0645  2.2536  2.4065  1.7591 130.901 38.251 104.085 34.360 26.81554       51.41688 
1 1 1 -9  39 9  o 272.926 18.403 16.187  2.1147 13.794  3.4539  17.622  2.6745 244.231 34.343 283.064 22.497 -38.83360      41.05522 
1 1 1 -9  39 10 o 118.085 31.426 3.2612  1.5992 1.2887  2.7578  4.2606  1.9630 99.871  40.910 134.074 34.402 -34.20221      53.45176 
1 1 1 -9  39 11 o 94.049  31.052 1.9514  1.4367 3.3443  2.3559  1.1266  1.8128 119.921 39.772 85.843  33.851 34.07797       52.22692 
1 1 1 -9  39 12 o 141.056 22.903 4.4729  1.3212 3.9156  2.3455  4.7319  1.5990 127.728 39.418 143.570 27.297 -15.84248      47.94704 
1 1 1 -9  39 13 o 91.547  28.229 1.8974  1.2032 2.9197  2.1647  1.4404  1.4473 112.884 38.132 85.328  30.996 27.55634       49.14075 
1 1 1 -9  39 14 o 122.672 27.378 3.4937  1.3862 2.6043  2.6894  3.8155  1.6177 111.682 41.948 127.291 30.423 -15.60964      51.81900 
1 1 1 -9  39 15 o 245.717 16.775 13.148  1.7351 12.925  3.2305  13.238  2.0570 234.427 33.493 245.158 19.987 -10.73048      39.00288 
1 1 1 -9  39 16 o 231.533 17.460 11.736  1.6994 16.064  3.0867  9.8535  2.0356 264.751 27.953 209.330 23.361 55.42155       36.42981 
1 1 1 -9  39 17 o 125.919 24.250 3.6586  1.2463 4.2795  2.3602  3.4186  1.4675 130.253 39.416 119.768 29.198 10.48534       49.05223 
1 1 1 -9  39 18 o 66.271  27.016 0.5117  1.1955 1.0040  2.3809  0.3458  1.3825 89.839  37.517 67.690  28.448 22.14994       47.08283 
1 1 1 -9  39 19 o 123.378 26.468 3.5822  1.3415 1.2721  3.5888  3.9574  1.4464 104.107 44.856 129.482 27.240 -25.37481      52.47941 
1 1 1 -9  40 1  o 340.125 38.322 27.106  5.4237 0.0000  0.0000  27.106  5.4237 ?       ?      340.125 38.322 0.000000       38.32170 
1 1 1 -9  40 2  f 193.250 38.507 8.9063  3.0407 0.0000  0.0000  8.9063  3.0407 ?       ?      193.250 38.507 0.000000       38.50695 
1 1 1 -9  40 3  o 149.765 32.637 5.2477  2.0115 7.8634  3.0573  3.2513  2.6710 180.070 41.010 120.591 42.296 59.47993       58.91321 
1 1 1 -9  40 4  o 188.282 32.909 8.2216  2.5285 9.5958  3.0982  5.4808  4.3755 201.194 37.748 150.317 53.991 50.87717       65.87843 
1 1 1 -9  40 5  o 226.299 28.417 11.569  2.6633 9.7093  3.4672  14.246  4.1595 199.732 42.307 243.318 41.877 -43.58589      59.52774 
1 1 1 -9  40 6  o 99.024  36.106 1.9770  1.9666 1.0671  2.4451  3.6441  3.3097 93.949  38.506 128.083 46.819 -34.13430      60.61946 
1 1 1 -9  40 7  f 189.606 20.754 7.9219  1.6393 9.7214  2.7666  6.9482  2.0349 204.707 33.038 174.438 28.533 30.26877       43.65352 
1 1 1 -9  40 8  o 249.804 18.569 13.604  1.9504 11.295  3.1927  14.979  2.4635 219.276 35.602 260.457 22.557 -41.18095      42.14672 
1 1 1 -9  40 9  o 159.896 23.901 5.7442  1.5688 2.3531  2.8173  7.2684  1.8887 110.621 42.604 179.537 25.563 -68.91670      49.68502 
1 1 1 -9  40 10 o 125.466 27.458 3.6406  1.4184 2.0625  2.6474  4.2760  1.6799 105.900 41.155 135.275 30.100 -29.37489      50.98795 
1 1 1 -9  40 11 o 94.806  27.776 2.0613  1.1870 0.4512  2.5461  2.5084  1.3417 89.005  38.053 103.898 29.253 -14.89332      47.99707 
1 1 1 -9  40 12 o 99.501  31.045 2.2719  1.4504 1.5262  2.3563  2.7268  1.8403 96.790  38.458 108.517 35.106 -11.72691      52.07138 
1 1 1 -9  40 13 f 121.725 29.928 3.4938  1.5319 1.8659  2.2287  4.9519  2.1093 99.024  37.954 143.168 35.067 -44.14388      51.67378 
1 1 1 -9  40 14 o 150.751 23.853 5.1605  1.4721 3.9183  2.8493  5.6128  1.7194 126.669 43.727 155.963 27.010 -29.29376      51.39661 
1 1 1 -9  40 15 o 293.169 16.037 18.708  1.9836 19.822  3.7227  18.266  2.3440 291.763 30.583 287.912 19.337 3.851410       36.18361 
1 1 1 -9  40 16 o 158.779 22.731 5.7202  1.4848 3.9505  3.1255  6.2361  1.6874 125.778 45.570 164.832 24.954 -39.05452      51.95517 
1 1 1 -9  40 17 o 147.926 22.482 4.9807  1.3640 8.4371  2.6352  3.7156  1.5942 185.637 34.798 124.003 30.556 61.63460       46.30958 
1 1 1 -9  40 18 o 134.196 23.332 4.1413  1.2778 2.7170  2.4706  4.6614  1.4930 108.664 40.325 141.357 25.895 -32.69218      47.92319 
1 1 1 -9  41 1  o 209.977 55.535 11.793  5.0142 0.0000  0.0000  11.793  5.0142 ?       ?      209.977 55.535 0.000000       55.53478 
1 1 1 -9  41 2  o 142.890 42.091 5.0103  2.7192 0.0000  0.0000  5.0103  2.7192 ?       ?      142.890 42.091 0.000000       42.09145 
1 1 1 -9  41 3  o 290.230 27.758 18.961  3.3701 0.0000  0.0000  18.961  3.3701 ?       ?      290.230 27.758 0.000000       27.75786 
1 1 1 -9  41 4  o 247.760 31.250 14.081  3.2060 0.0000  0.0000  14.081  3.2060 ?       ?      247.760 31.250 0.000000       31.25050 
1 1 1 -9  41 5  o 211.414 24.537 9.9918  2.1560 16.199  3.5898  6.4894  2.6965 264.950 32.686 163.157 39.458 101.7935       51.23805 
1 1 1 -9  41 6  o 369.907 20.272 29.932  3.1636 31.392  4.1526  27.913  4.8838 374.790 26.330 347.687 33.587 27.10358       42.67734 
1 1 1 -9  41 7  o 145.968 34.412 5.0813  2.0925 4.1373  2.5947  6.8372  3.5388 130.783 41.620 163.265 47.996 -32.48218      63.52864 
1 1 1 -9  41 8  o 219.577 40.281 11.707  3.6076 0.0000  0.0000  11.707  3.6076 ?       ?      219.577 40.281 0.000000       40.28097 
1 1 1 -9  41 9  f 67.580  30.044 -0.4009 1.7254 1.2043  2.1288  -3.4745 2.9458 90.605  36.367 71.040  34.061 19.56474       49.82730 
1 1 1 -9  41 10 o 85.424  37.379 0.0000  2.5733 0.0000  2.5733  0.0000  0.0000 85.424  37.379 ?       ?      0.000000       37.37926 
1 1 1 -9  41 11 o 84.662  32.624 1.2475  1.6526 0.7787  2.6157  1.5589  2.1321 92.279  38.975 94.357  36.860 -2.077080      53.64443 
1 1 1 -9  41 12 o 109.020 34.669 2.8021  1.8007 3.6965  2.9738  2.2843  2.2626 124.530 44.534 104.033 38.593 20.49717       58.92964 
1 1 1 -9  41 13 o 124.162 26.700 3.5992  1.3622 3.0795  2.4329  3.8366  1.6441 114.505 40.351 126.650 30.922 -12.14535      50.83711 
1 1 1 -9  41 14 o 82.678  32.694 1.1162  1.6955 4.6284  2.8130  -0.8878 2.1249 134.032 43.408 70.406  32.123 63.62631       54.00148 
1 1 1 -9  41 15 o 208.049 24.017 9.8401  2.0771 12.625  3.1522  7.7027  2.7615 229.136 33.472 174.823 38.353 54.31245       50.90532 
1 1 1 -9  41 16 o 124.854 34.093 3.8628  1.8534 8.2254  2.7046  0.0001  2.5449 181.832 36.393 83.091  36.735 98.74068       51.70981 
1 1 1 -9  41 17 o 86.984  37.583 0.5267  2.5334 0.5267  2.5334  0.0000  0.0000 86.984  37.583 ?       ?      0.000000       37.58267 
1 1 1 -9  42 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -9  42 2  o 95.844  35.382 1.8401  1.8972 -0.8646 2.8381  4.0251  2.5508 83.328  37.665 128.919 41.292 -45.59070      55.88973 
1 1 1 -9  42 3  o 256.992 21.556 14.580  2.3244 10.966  3.4576  17.561  3.1396 212.393 39.906 279.157 26.890 -66.76401      48.12008 
1 1 1 -9  42 4  o 168.319 30.696 6.5979  2.1074 1.9528  3.3234  9.7218  2.7254 110.614 45.063 204.025 32.644 -93.41100      55.64482 
1 1 1 -9  42 5  o 181.424 36.167 7.8884  2.6813 0.0000  0.0000  7.8884  2.6813 ?       ?      181.424 36.167 0.000000       36.16705 
1 1 1 -9  42 6  o 192.874 33.179 8.7470  2.6123 0.0000  0.0000  8.7470  2.6123 ?       ?      192.874 33.179 0.000000       33.17875 
1 1 1 -9  42 7  o 98.591  33.906 2.1454  1.7124 0.0000  0.0000  2.1454  1.7124 ?       ?      98.591  33.906 0.000000       33.90603 
1 1 1 -9  42 8  o 147.149 30.407 5.0874  1.8322 0.0000  0.0000  5.0874  1.8322 ?       ?      147.149 30.407 0.000000       30.40729 
1 1 1 -9  42 9  o 98.864  29.399 2.2718  1.3215 0.9287  2.1967  3.0336  1.6543 88.033  36.337 112.935 32.707 -24.90236      48.88866 
1 1 1 -9  42 10 o 125.407 29.932 3.7281  1.5675 1.4075  2.5586  5.1226  1.9834 96.938  39.521 146.109 32.852 -49.17044      51.39231 
1 1 1 -9  42 11 o 201.866 23.626 9.1915  1.9816 12.414  2.9854  6.6535  2.6494 229.939 31.485 163.073 38.907 66.86647       50.05018 
1 1 1 -9  42 12 o 81.709  32.238 1.0923  1.6451 -0.3328 2.5805  2.0680  2.1353 81.757  36.516 99.412  37.370 -17.65556      52.24916 
1 1 1 -9  42 13 o 162.163 30.387 6.2638  2.0101 4.8149  3.0119  7.4275  2.6991 135.377 44.973 171.867 38.086 -36.49023      58.93281 
1 1 1 -9  42 14 o 204.054 27.223 9.6718  2.2938 4.3945  3.6558  13.098  2.9458 130.248 48.910 235.594 30.223 -105.3460      57.49467 
1 1 1 -9  42 15 o 78.938  29.957 1.1799  1.3798 1.6140  3.1285  1.0750  1.5375 102.156 42.857 79.457  31.224 22.69891       53.02558 
1 1 1 -9  42 16 o 83.870  31.271 1.4243  1.4892 4.5432  2.5094  -0.2714 1.8503 131.945 40.781 69.781  31.062 62.16354       51.26335 
1 1 1 -9  43 1  o 305.059 43.226 23.227  5.4281 0.0000  0.0000  23.227  5.4281 ?       ?      305.059 43.226 0.000000       43.22589 
1 1 1 -9  43 2  o 95.004  36.363 1.7147  2.0441 1.9241  2.7526  1.4573  3.0521 104.135 41.506 102.706 42.648 1.428993       59.51099 
1 1 1 -9  43 3  o 136.234 33.309 4.4664  1.9057 2.8686  2.8967  5.6857  2.5304 115.046 43.465 151.142 39.201 -36.09649      58.53144 
1 1 1 -9  43 4  o 132.538 35.173 4.2711  2.0069 5.3072  3.0372  3.4681  2.6739 143.975 44.925 120.887 42.324 23.08755       61.72171 
1 1 1 -9  43 5  o 140.155 32.465 4.7031  1.8891 6.7403  3.1209  3.5252  2.3732 161.761 44.270 120.803 39.910 40.95831       59.60418 
1 1 1 -9  43 6  o 185.660 24.425 7.8018  1.8738 5.4871  2.8146  9.6444  2.5112 146.670 42.715 203.610 30.024 -56.93976      52.21143 
1 1 1 -9  43 7  o 90.833  30.802 1.8301  1.4125 2.7288  2.4261  1.3693  1.7373 110.253 40.118 86.941  33.464 23.31249       52.24256 
1 1 1 -9  43 8  o 265.826 23.001 15.820  2.5638 0.0000  0.0000  15.820  2.5638 ?       ?      265.826 23.001 0.000000       23.00108 
1 1 1 -9  43 9  o 172.875 28.437 6.9722  2.0095 0.0000  0.0000  6.9722  2.0095 ?       ?      172.875 28.437 0.000000       28.43705 
1 1 1 -9  43 10 f 64.649  29.249 -0.6265 1.7161 0.0000  0.0000  -0.6265 1.7161 ?       ?      64.649  29.249 0.000000       29.24884 
1 1 1 -9  43 11 o 163.900 24.216 6.1529  1.6302 8.6027  4.7047  5.8186  1.7379 169.566 56.202 157.937 26.951 11.62839       62.32954 
1 1 1 -9  43 12 o 95.386  32.296 2.1020  1.5528 4.7734  4.5408  1.7482  1.6524 134.968 53.462 90.474  33.080 44.49429       62.86901 
1 1 1 -9  43 13 f 63.524  27.363 0.0970  1.3348 1.1534  4.6621  0.0027  1.3931 111.020 49.369 63.674  27.689 47.34662       56.60408 
1 1 1 -9  43 14 o 112.875 30.454 3.0997  1.4894 0.8282  5.4679  3.2818  1.5479 114.351 51.924 115.938 30.948 -1.587029      60.44762 
1 1 1 -9  43 15 o 143.950 27.539 4.9077  1.6176 0.0000  0.0000  4.9077  1.6176 ?       ?      143.950 27.539 0.000000       27.53887 
1 1 1 -9  44 1  o 75.300  34.271 -0.8507 2.3995 0.0000  0.0000  -0.8507 2.3995 ?       ?      75.300  34.271 0.000000       34.27088 
1 1 1 -9  44 2  o 106.675 36.807 2.6595  2.0187 0.8756  3.1294  3.9308  2.6418 97.618  41.973 125.241 42.126 -27.62335      59.46696 
1 1 1 -9  44 3  o 161.456 35.981 6.4273  2.3973 6.8629  3.1532  5.8307  3.6905 161.296 44.645 146.723 49.788 14.57320       66.87300 
1 1 1 -9  44 4  o 185.916 34.546 8.3793  2.6198 10.663  3.6464  5.9433  3.7663 203.032 43.703 147.740 50.296 55.29202       66.63084 
1 1 1 -9  44 5  o 256.599 21.661 14.700  2.3319 16.667  3.7790  13.491  2.9633 263.313 34.737 240.429 29.737 22.88380       45.72707 
1 1 1 -9  44 6  o 78.102  32.816 0.5572  1.8388 6.2789  2.9163  -3.2184 2.3690 154.923 42.955 61.499  29.751 93.42406       52.25158 
1 1 1 -9  44 7  o 99.224  31.209 2.3237  1.4625 2.2982  2.6292  2.3352  1.7598 105.430 41.003 100.424 34.379 5.005920       53.50854 
1 1 1 -9  44 8  o 90.529  29.724 1.8801  1.3171 1.7899  2.3949  1.9192  1.5771 97.858  38.806 92.721  32.502 5.136917       50.61885 
1 1 1 -9  44 9  o 104.618 28.840 2.6186  1.3189 3.1058  2.5286  2.4365  1.5459 113.614 41.015 101.103 32.120 12.51073       52.09544 
1 1 1 -9  44 10 o 94.273  32.895 2.0203  1.6146 2.1672  2.4944  1.9143  2.1181 102.293 39.894 96.459  36.994 5.834694       54.40665 
1 1 1 -9  44 11 o 84.850  32.142 1.4224  1.5867 2.2240  2.5330  0.9048  2.0356 102.968 40.190 83.941  34.841 19.02632       53.18912 
1 1 1 -9  44 12 o 90.941  29.587 1.9279  1.3061 2.1732  2.3570  1.8192  1.5690 100.978 38.947 90.563  32.352 10.41536       50.63115 
1 1 1 -9  44 13 o 158.973 23.684 5.8140  1.5458 7.0297  2.8094  5.2861  1.8513 163.588 40.714 147.698 30.604 15.88943       50.93317 
1 1 1 -9  45 1  o 117.849 43.756 3.3508  2.9098 0.0000  0.0000  3.3508  2.9098 ?       ?      117.849 43.756 0.000000       43.75645 
1 1 1 -9  45 2  o 97.334  34.618 2.1372  1.7947 1.9552  2.7271  2.2762  2.3835 102.224 41.116 103.035 39.307 -0.8103638     56.88181 
1 1 1 -9  45 3  o 92.277  35.598 1.6668  1.9694 -0.0000 3.0658  2.8379  2.5698 89.777  39.972 110.605 41.110 -20.82868      57.33927 
1 1 1 -9  45 4  o 125.410 39.327 4.0085  2.3242 1.2105  3.2313  7.0075  3.3454 100.169 42.848 159.931 46.566 -59.76174      63.28036 
1 1 1 -9  45 5  o 127.126 39.359 4.1368  2.3363 4.2421  3.4892  4.0513  3.1455 128.253 47.857 125.748 45.692 2.504761       66.16665 
1 1 1 -9  45 6  o 96.137  34.604 2.0685  1.7983 -0.5072 3.3104  3.1468  2.1419 89.222  40.471 112.973 37.932 -23.75101      55.46824 
1 1 1 -9  45 7  o 70.753  28.209 0.7433  1.2718 -2.5176 2.3083  2.1649  1.5240 63.357  30.318 96.135  31.994 -32.77868      44.07655 
1 1 1 -9  45 8  o 167.084 24.881 6.4505  1.7068 5.3427  2.7946  7.1097  2.1556 141.368 42.915 172.037 30.714 -30.66875      52.77343 
1 1 1 -9  45 9  f 71.208  28.272 0.7806  1.2726 3.1966  2.4609  -0.1015 1.4869 113.768 40.530 64.378  28.286 49.38919       49.42426 
1 1 1 -9  45 10 o 181.106 21.073 7.4034  1.5860 7.5848  3.1980  7.3443  1.8264 166.899 44.451 178.289 24.867 -11.38989      50.93353 
1 1 1 -9  45 11 o 95.677  26.769 2.1780  1.1273 2.0500  2.1683  2.2254  1.3196 97.936  37.460 96.477  29.532 1.458900       47.70127 
1 1 1 -9  45 12 o 113.305 30.160 3.1336  1.4728 7.7835  2.5480  0.8005  1.8048 176.404 35.339 79.378  32.865 97.02600       48.25891 
1 1 1 -9  46 1  o 161.524 43.121 6.9636  3.0049 0.0000  0.0000  6.9636  3.0049 ?       ?      161.524 43.121 0.000000       43.12138 
1 1 1 -9  46 2  o 163.399 32.609 6.5158  2.1774 4.1539  3.2171  8.5123  2.9578 126.441 46.168 182.075 39.496 -55.63349      60.75742 
1 1 1 -9  46 3  o 104.221 36.579 2.5757  1.9979 -0.5342 3.1956  4.5714  2.5599 87.438  39.700 132.022 41.253 -44.58440      57.25285 
1 1 1 -9  46 4  o 196.886 27.325 9.0624  2.2169 10.791  3.8878  8.2296  2.6987 198.128 47.038 181.125 36.445 17.00330       59.50482 
1 1 1 -9  46 5  o 163.544 30.287 6.4296  2.0204 3.6483  3.4326  7.9039  2.4992 121.386 46.950 178.964 34.223 -57.57787      58.09905 
1 1 1 -9  46 6  o 57.281  27.213 -1.8127 1.7915 -1.3831 2.3516  -2.4070 2.7655 70.209  32.658 71.180  33.814 -0.9710464     47.00971 
1 1 1 -9  46 7  o 156.850 29.527 5.9022  1.8893 5.6613  2.8634  6.0880  2.5144 144.597 43.338 153.229 38.729 -8.631836      58.12179 
1 1 1 -9  46 8  o 196.764 22.261 8.7928  1.8223 9.4218  3.2967  8.5161  2.1868 188.439 42.343 190.023 28.014 -1.584595      50.77098 
1 1 1 -9  46 9  o 98.270  29.815 2.3228  1.3492 4.8542  2.5749  1.3648  1.5840 135.094 41.235 83.668  32.014 51.42655       52.20352 
1 1 1 -8  0  1  o 730.684 32.399 114.463 9.9806 0.0000  0.0000  114.463 9.9806 730.684 32.399 730.684 32.399 0.000000       0.000000 
1 1 1 -8  0  2  o 184.463 39.471 8.1763  2.7081 0.0000  0.0000  8.1763  2.7081 184.463 39.471 184.463 39.471 -0.000000      0.000000 
1 1 1 -8  0  3  o 43.355  25.876 0.4209  0.8394 1.3900  1.3005  -0.2712 1.0989 66.952  34.985 38.717  25.623 -0.000000      0.000000 
1 1 1 -8  0  4  o 826.172 22.930 145.392 8.0088 145.533 11.245  145.247 11.409 824.160 32.332 823.192 32.844 0.000000       0.000000 
1 1 1 -8  0  5  o 67.825  32.075 1.4363  1.0435 -0.3405 1.5263  2.9961  1.4300 45.900  30.318 103.840 36.030 0.000000       0.000000 
1 1 1 -8  0  6  o 276.336 21.847 16.522  2.5199 17.239  3.5187  15.767  3.6103 279.564 30.660 265.818 33.520 0.000000       0.000000 
1 1 1 -8  0  7  o 756.409 22.213 121.861 7.1016 121.513 9.8582  122.237 10.239 753.239 31.024 755.175 32.148 0.000000       0.000000 
1 1 1 -8  0  8  o 358.655 21.104 27.594  3.1800 29.621  4.6249  25.775  4.3797 369.412 30.019 343.907 30.630 -0.000000      0.000000 
1 1 1 -8  0  9  o 570.975 31.188 70.026  7.4900 70.026  7.4900  0.0000  0.0000 570.975 31.188 570.975 31.188 -0.000000      0.000000 
1 1 1 -8  0  10 o 674.405 27.983 97.193  7.9609 0.0000  0.0000  97.193  7.9609 674.405 27.983 674.405 27.983 -0.000000      0.000000 
1 1 1 -8  0  11 o 340.945 19.280 24.892  2.7634 22.493  3.5944  28.358  4.3212 322.108 26.776 361.940 28.603 0.000000       0.000000 
1 1 1 -8  0  12 o 576.749 19.291 70.781  4.6999 71.150  6.0504  70.221  7.4630 577.324 24.852 572.223 31.005 0.000000       0.000000 
1 1 1 -8  0  13 o 664.952 18.540 93.969  5.2116 99.901  6.4754  83.058  8.7811 685.121 22.372 622.268 33.545 0.000000       0.000000 
1 1 1 -8  0  14 o 772.355 21.775 126.837 7.1096 126.837 7.1096  0.0000  0.0000 772.355 21.775 772.355 21.775 0.000000       0.000000 
1 1 1 -8  0  15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  0  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  0  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  0  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  0  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  0  20 o 990.659 24.477 208.900 10.255 208.900 10.255  0.0000  0.0000 990.659 24.477 990.659 24.477 -0.000000      0.000000 
1 1 1 -8  0  21 o 366.168 30.680 29.140  4.6807 29.140  4.6807  0.0000  0.0000 366.168 30.680 366.168 30.680 -0.000000      0.000000 
1 1 1 -8  0  22 o 126.807 24.415 3.7704  1.1708 3.7704  1.1708  0.0000  0.0000 126.807 24.415 126.807 24.415 -0.000000      0.000000 
1 1 1 -8  0  23 o 495.084 19.286 52.284  4.0296 0.0000  0.0000  52.284  4.0296 495.084 19.286 495.084 19.286 0.000000       0.000000 
1 1 1 -8  0  24 o 119.029 45.019 4.1077  2.1278 4.1077  2.1278  0.0000  0.0000 119.029 45.019 119.029 45.019 -0.000000      0.000000 
1 1 1 -8  0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  0  26 f 1069.36 34.964 246.919 15.795 246.919 15.795  0.0000  0.0000 1069.36 34.964 1069.36 34.964 -0.000000      0.000000 
1 1 1 -8  0  27 o 803.661 33.110 139.771 11.225 0.0000  0.0000  139.771 11.225 803.661 33.110 803.661 33.110 0.000000       0.000000 
1 1 1 -8  0  28 o 351.388 32.880 27.350  4.7944 0.0000  0.0000  27.350  4.7944 351.388 32.880 351.388 32.880 0.000000       0.000000 
1 1 1 -8  0  29 o 603.007 32.584 79.541  8.2654 79.541  8.2654  0.0000  0.0000 603.007 32.584 603.007 32.584 -0.000000      0.000000 
1 1 1 -8  0  30 o 215.410 40.225 11.125  3.2944 0.0000  0.0000  11.125  3.2944 215.410 40.225 215.410 40.225 0.000000       0.000000 
1 1 1 -8  0  31 o 344.570 33.665 26.708  4.8048 26.708  4.8048  0.0000  0.0000 344.570 33.665 344.570 33.665 -0.000000      0.000000 
1 1 1 -8  0  32 o 163.642 43.263 7.0008  2.5903 0.0000  0.0000  7.0008  2.5903 163.642 43.263 163.642 43.263 0.000000       0.000000 
1 1 1 -8  1  1  o 753.252 22.920 120.941 7.3112 119.750 10.308  122.146 10.371 747.020 32.585 754.494 32.459 -7.473999      45.99261 
1 1 1 -8  1  2  o 368.821 21.656 29.081  3.3677 26.800  4.7082  31.470  4.8189 352.003 31.931 382.098 30.022 -30.09460      43.82845 
1 1 1 -8  1  3  o 270.910 15.502 15.642  1.7711 16.085  2.4891  15.188  2.5208 273.901 21.634 265.950 22.596 7.951477       31.28274 
1 1 1 -8  1  4  o 371.544 15.304 29.326  2.4080 31.291  3.3890  27.322  3.4222 382.675 20.992 357.219 22.740 25.45587       30.94815 
1 1 1 -8  1  5  o 269.743 15.417 15.508  1.7538 15.446  2.4635  15.572  2.4975 268.314 21.871 269.384 22.086 -1.070038      31.08246 
1 1 1 -8  1  6  o 334.459 15.019 23.760  2.1273 25.147  2.9803  22.318  3.0373 343.012 20.613 322.796 22.356 20.21619       30.40875 
1 1 1 -8  1  7  o 630.380 15.259 84.404  4.0736 85.497  5.7171  83.276  5.8059 633.522 21.309 625.128 21.931 8.393921       30.57853 
1 1 1 -8  1  8  o 1063.83 19.287 240.742 8.6893 241.506 10.531  239.113 15.379 1064.37 23.364 1054.95 34.423 9.427246       41.60351 
1 1 1 -8  1  9  o 738.759 17.921 115.987 5.6069 116.173 9.8385  115.897 6.8233 736.538 31.542 737.821 21.837 -1.283508      38.36371 
1 1 1 -8  1  10 o 1000.48 21.560 212.971 9.1350 207.962 12.586  218.547 13.279 986.384 30.131 1010.89 31.018 -24.50958      43.24345 
1 1 1 -8  1  11 o 358.562 13.537 27.270  2.0555 28.085  2.8588  26.398  2.9576 363.128 18.653 351.871 19.930 11.25641       27.29677 
1 1 1 -8  1  12 o 765.189 14.176 124.190 4.5937 124.335 6.4395  124.040 6.5550 765.008 19.876 764.053 20.259 0.9552002      28.38102 
1 1 1 -8  1  13 o 628.506 12.917 83.752  3.4381 81.545  4.7527  86.175  4.9795 619.782 18.108 637.103 18.456 -17.32123      25.85534 
1 1 1 -8  1  14 o 463.230 16.257 45.527  3.1892 49.051  3.8427  37.724  5.7172 480.663 18.878 419.210 32.457 61.45273       37.54723 
1 1 1 -8  1  15 o 843.002 19.145 150.895 6.8350 166.173 8.6906  126.120 11.067 884.078 23.212 768.410 34.008 115.6675       41.17433 
1 1 1 -8  1  16 o 955.729 29.868 194.786 12.089 0.0000  0.0000  194.786 12.089 ?       ?      955.729 29.868 0.000000       29.86839 
1 1 1 -8  1  17 o 412.924 24.539 36.418  4.2718 0.0000  0.0000  36.418  4.2718 ?       ?      412.924 24.539 0.000000       24.53883 
1 1 1 -8  1  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  1  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  1  20 o 855.995 19.169 155.806 6.9489 0.0000  0.0000  155.806 6.9489 ?       ?      855.995 19.169 0.000000       19.16915 
1 1 1 -8  1  21 o 642.928 15.685 87.787  4.2705 80.959  8.5317  90.069  4.9330 613.469 32.961 650.942 17.895 -37.47260      37.50491 
1 1 1 -8  1  22 o 247.111 12.899 12.993  1.3451 14.941  1.9450  11.208  1.8623 264.535 17.460 228.691 19.413 35.84444       26.10939 
1 1 1 -8  1  23 o 249.408 17.691 13.301  1.8565 15.061  2.2195  9.2012  3.3871 265.153 19.911 202.430 40.918 62.72313       45.50513 
1 1 1 -8  1  24 o 314.428 20.612 21.194  2.7294 20.023  4.1115  22.116  3.6496 302.789 32.576 319.805 27.206 -17.01627      42.44258 
1 1 1 -8  1  25 o 157.223 27.868 5.4795  1.7876 0.0000  0.0000  5.4795  1.7876 ?       ?      157.223 27.868 0.000000       27.86825 
1 1 1 -8  1  26 o 585.818 22.263 73.649  5.5231 78.394  7.7946  68.864  7.8272 600.039 30.778 561.083 33.087 38.95569       45.18865 
1 1 1 -8  1  27 o 347.532 22.430 26.078  3.2835 24.163  4.6186  28.035  4.6690 330.578 33.451 357.262 31.172 -26.68417      45.72391 
1 1 1 -8  1  28 o 339.915 32.142 25.641  4.5719 25.641  4.5719  0.0000  0.0000 339.915 32.142 ?       ?      0.000000       32.14200 
1 1 1 -8  1  29 o 383.022 22.697 31.911  3.6652 31.801  5.1201  32.028  5.2491 377.271 32.359 378.167 33.110 -0.8953857     46.29676 
1 1 1 -8  1  30 o 178.534 26.529 7.1288  1.9448 6.9698  2.6969  7.3010  2.8072 172.168 38.005 176.011 38.714 -3.843460      54.25059 
1 1 1 -8  1  31 o 313.622 23.483 21.655  3.0963 20.785  4.3237  22.572  4.4362 300.684 34.585 313.931 33.907 -13.24643      48.43346 
1 1 1 -8  1  32 o 248.103 33.959 14.247  3.4744 14.247  3.4744  0.0000  0.0000 248.103 33.959 ?       ?      0.000000       33.95921 
1 1 1 -8  2  1  o 684.851 22.614 99.949  6.5587 96.905  9.2227  103.064 9.3290 672.091 32.403 693.294 31.774 -21.20294      45.38224 
1 1 1 -8  2  2  o 134.526 26.137 3.9963  1.4354 4.1711  1.9988  3.8102  2.0625 136.664 34.525 130.985 36.046 5.678329       49.91314 
1 1 1 -8  2  3  o 455.194 15.315 44.014  2.9523 45.732  4.1519  42.257  4.1990 463.324 21.160 444.662 22.370 18.66281       30.79210 
1 1 1 -8  2  4  o 420.921 15.185 37.636  2.7068 36.842  3.7943  38.458  3.8625 415.223 21.653 424.272 21.568 -9.048828      30.56175 
1 1 1 -8  2  5  o 484.193 15.209 49.801  3.1187 49.136  4.3688  50.492  4.4534 480.187 21.484 486.751 21.604 -6.564148      30.46802 
1 1 1 -8  2  6  o 126.199 17.935 3.4540  0.9316 3.6398  1.2902  3.2516  1.3465 128.475 24.610 120.984 26.968 7.491638       36.50910 
1 1 1 -8  2  7  o 755.583 15.588 121.273 4.9878 122.564 6.9583  119.909 7.1535 758.470 21.663 750.023 22.522 8.447083       31.24924 
1 1 1 -8  2  8  o 770.041 17.763 126.043 5.7926 124.420 6.9883  129.607 10.355 764.363 21.589 777.661 31.443 -13.29810      38.14103 
1 1 1 -8  2  9  o 755.735 21.972 121.595 7.0321 0.0000  0.0000  121.595 7.0321 ?       ?      755.735 21.972 0.000000       21.97207 
1 1 1 -8  2  10 f 865.805 15.242 159.108 5.5887 160.380 7.6945  157.687 8.1308 868.344 20.924 860.759 22.305 7.584473       30.58334 
1 1 1 -8  2  11 o 121.808 16.931 3.2101  0.8497 3.2325  1.0297  3.1623  1.5046 121.636 20.733 119.395 29.839 2.240685       36.33509 
1 1 1 -8  2  12 o 817.297 14.273 141.683 4.9400 140.696 6.8252  142.768 7.1592 813.803 19.804 819.661 20.625 -5.857727      28.59321 
1 1 1 -8  2  13 o 664.392 14.382 93.618  4.0466 95.179  6.1505  92.426  5.3735 669.226 21.702 659.734 19.233 9.491150       28.99771 
1 1 1 -8  2  14 o 883.894 18.230 165.841 6.8239 163.281 8.5601  170.305 11.303 876.392 23.064 893.846 29.859 -17.45392      37.72919 
1 1 1 -8  2  15 o 1179.14 20.612 295.353 10.293 292.738 13.530  298.945 15.857 1172.50 27.249 1183.71 31.633 -11.21460      41.75080 
1 1 1 -8  2  16 o 572.427 25.468 69.743  6.1738 0.0000  0.0000  69.743  6.1738 ?       ?      572.427 25.468 0.000000       25.46756 
1 1 1 -8  2  17 o 386.879 23.773 31.967  3.8761 0.0000  0.0000  31.967  3.8761 ?       ?      386.879 23.773 0.000000       23.77324 
1 1 1 -8  2  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  2  19 o 545.661 20.695 63.333  4.7821 0.0000  0.0000  63.333  4.7821 ?       ?      545.661 20.695 0.000000       20.69455 
1 1 1 -8  2  20 o 403.289 19.567 34.591  3.3419 0.0000  0.0000  34.591  3.3419 ?       ?      403.289 19.567 0.000000       19.56721 
1 1 1 -8  2  21 o 255.652 12.935 13.903  1.3959 11.737  1.7753  17.410  2.2592 234.290 18.031 285.520 18.789 -51.22977      26.04099 
1 1 1 -8  2  22 o 558.961 12.844 66.300  3.0404 70.789  4.4011  62.202  4.2051 576.972 18.012 540.802 18.361 36.16931       25.72074 
1 1 1 -8  2  23 o 346.547 16.976 25.544  2.4914 29.176  2.9784  17.080  4.5466 369.663 19.090 278.018 39.748 91.64471       44.09475 
1 1 1 -8  2  24 o 611.869 30.803 80.925  7.9562 80.925  7.9562  0.0000  0.0000 611.869 30.803 ?       ?      0.000000       30.80323 
1 1 1 -8  2  25 o 278.456 18.116 16.613  2.1247 15.048  3.6389  17.423  2.6171 261.142 33.690 284.434 21.895 -23.29126      40.17960 
1 1 1 -8  2  26 f 536.555 21.585 61.737  4.9047 0.0000  0.0000  61.737  4.9047 ?       ?      536.555 21.585 0.000000       21.58501 
1 1 1 -8  2  27 o 263.573 22.576 15.049  2.4956 16.459  3.4707  13.539  3.5909 273.302 30.508 245.830 35.523 27.47238       46.82505 
1 1 1 -8  2  28 o 345.000 22.292 25.791  3.2395 29.403  4.5112  21.946  4.6549 365.473 29.396 312.490 35.821 52.98251       46.33858 
1 1 1 -8  2  29 o 295.609 22.882 19.059  2.8422 17.587  3.9461  20.646  4.0971 279.004 34.107 303.462 32.381 -24.45764      47.03012 
1 1 1 -8  2  30 o 125.936 28.759 3.6317  1.5001 4.0000  2.0565  3.2129  2.1931 130.904 35.981 119.117 38.301 11.78680       52.55149 
1 1 1 -8  2  31 o 231.812 24.302 11.915  2.3502 11.127  3.2057  12.831  3.4557 218.342 35.919 234.780 35.897 -16.43861      50.78139 
1 1 1 -8  2  32 o 344.534 32.261 27.096  4.6523 27.096  4.6523  0.0000  0.0000 344.534 32.261 ?       ?      0.000000       32.26086 
1 1 1 -8  3  1  o 998.630 24.050 212.668 10.171 226.861 14.319  198.217 14.449 1028.26 32.883 960.096 35.538 68.16339       48.41751 
1 1 1 -8  3  2  o 761.271 22.544 123.526 7.2679 120.309 10.171  126.882 10.389 748.773 32.077 769.012 31.900 -20.23871      45.23846 
1 1 1 -8  3  3  o 413.930 15.205 36.393  2.6653 34.797  3.7155  38.084  3.8256 403.512 21.824 422.257 21.464 -18.74484      30.61035 
1 1 1 -8  3  4  o 288.417 15.305 17.720  1.8627 16.438  2.6074  19.055  2.6621 276.783 22.437 298.330 21.209 -21.54660      30.87502 
1 1 1 -8  3  5  o 436.280 15.009 40.428  2.7730 39.841  3.8729  41.045  3.9722 432.448 21.148 438.906 21.371 -6.458191      30.06538 
1 1 1 -8  3  6  o 768.557 15.656 125.486 5.0956 124.149 7.0919  126.913 7.3263 763.242 21.941 771.582 22.421 -8.339966      31.37069 
1 1 1 -8  3  7  o 1049.07 16.545 233.862 7.3507 235.511 10.206  232.084 10.596 1051.06 22.928 1043.06 23.988 8.008789       33.18333 
1 1 1 -8  3  8  o 591.653 16.867 74.377  4.2261 75.233  5.0833  72.460  7.6048 594.608 20.187 580.818 31.030 13.78992       37.01852 
1 1 1 -8  3  9  o 478.322 16.285 48.589  3.2987 48.764  5.2300  48.473  4.2508 477.411 25.966 477.282 21.031 0.1287842      33.41440 
1 1 1 -8  3  10 o 328.603 16.825 22.990  2.3335 24.008  4.0704  22.491  2.8479 334.059 29.062 324.537 20.831 9.521240       35.75663 
1 1 1 -8  3  11 o 204.932 18.901 8.9969  1.6219 9.1392  2.1296  8.8003  2.5027 205.684 24.960 200.819 30.377 4.865112       39.31635 
1 1 1 -8  3  12 o 616.550 17.650 80.700  4.6084 78.810  5.9863  83.451  7.2203 608.708 23.222 625.850 27.242 -17.14178      35.79694 
1 1 1 -8  3  13 o 1240.77 17.292 326.736 9.0863 302.809 14.283  343.002 11.777 1192.18 28.290 1270.40 21.889 -78.21960      35.76955 
1 1 1 -8  3  14 o 435.257 15.420 40.186  2.8424 37.958  3.5249  44.329  4.8061 422.781 19.687 455.806 24.994 -33.02478      31.81644 
1 1 1 -8  3  15 o 436.537 15.701 40.427  2.9026 42.194  3.7165  37.663  4.6478 445.737 19.689 419.834 26.273 25.90359       32.83188 
1 1 1 -8  3  16 o 1031.26 19.976 225.911 8.7240 236.650 12.138  214.438 12.547 1054.04 27.193 1002.82 29.544 51.22028       40.15372 
1 1 1 -8  3  17 f 259.803 23.286 14.474  2.5348 0.0000  0.0000  14.474  2.5348 ?       ?      259.803 23.286 0.000000       23.28565 
1 1 1 -8  3  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  3  19 o 246.874 20.006 13.044  2.0736 0.0000  0.0000  13.044  2.0736 ?       ?      246.874 20.006 0.000000       20.00608 
1 1 1 -8  3  20 o 293.620 19.794 18.420  2.4470 0.0000  0.0000  18.420  2.4470 ?       ?      293.620 19.794 0.000000       19.79441 
1 1 1 -8  3  21 o 447.565 20.640 42.636  3.9120 0.0000  0.0000  42.636  3.9120 ?       ?      447.565 20.640 0.000000       20.63956 
1 1 1 -8  3  22 o 299.399 27.657 19.330  3.4671 19.330  3.4671  0.0000  0.0000 299.399 27.657 ?       ?      0.000000       27.65688 
1 1 1 -8  3  23 o 260.515 18.808 14.525  2.0610 15.429  3.1378  13.839  2.7333 266.838 28.194 253.041 25.870 13.79752       38.26465 
1 1 1 -8  3  24 f 593.894 16.236 75.071  4.0834 77.456  7.5124  74.070  4.8649 599.691 29.581 589.256 19.495 10.43530       35.42704 
1 1 1 -8  3  25 o 416.960 16.849 37.061  2.9752 40.320  5.2559  35.524  3.6091 431.188 28.951 406.945 21.014 24.24344       35.77345 
1 1 1 -8  3  26 o 317.022 22.464 21.680  2.9964 0.0000  0.0000  21.680  2.9964 ?       ?      317.022 22.464 0.000000       22.46381 
1 1 1 -8  3  27 o 354.858 18.251 27.013  2.7334 25.428  4.5738  27.894  3.4092 339.657 32.182 359.414 22.512 -19.75662      39.27411 
1 1 1 -8  3  28 o 222.361 23.295 10.802  2.1611 12.331  2.9672  9.0743  3.1538 235.309 30.493 198.224 38.959 37.08553       49.47320 
1 1 1 -8  3  29 o 250.664 23.104 13.743  2.4250 15.852  3.3356  11.379  3.5318 266.551 30.075 221.398 39.098 45.15274       49.32684 
1 1 1 -8  3  30 o 246.146 23.522 13.310  2.4221 13.666  3.3068  12.898  3.5575 245.514 32.612 236.396 36.728 9.117615       49.11677 
1 1 1 -8  3  31 o 172.978 26.354 6.7433  1.8695 8.3332  2.5352  4.8481  2.7679 189.865 32.711 141.606 42.647 48.25879       53.74791 
1 1 1 -8  3  32 o 288.950 33.391 19.211  4.0108 19.211  4.0108  0.0000  0.0000 288.950 33.391 ?       ?      0.000000       33.39149 
1 1 1 -8  4  1  o 1254.52 25.586 335.866 13.593 329.103 19.071  342.850 19.380 1236.89 36.408 1262.55 36.246 -25.65613      51.37452 
1 1 1 -8  4  2  o 1136.83 20.085 275.071 9.6696 285.966 16.521  269.394 11.926 1153.70 33.815 1123.43 25.066 30.26892       42.09223 
1 1 1 -8  4  3  o 671.506 17.906 95.885  5.0922 97.691  6.1907  92.109  8.9540 677.149 21.588 655.044 32.278 22.10455       38.83175 
1 1 1 -8  4  4  f 62.630  21.823 0.7445  0.7105 1.0318  0.9230  0.3266  1.1131 72.685  24.898 63.936  26.067 8.749092       36.04708 
1 1 1 -8  4  5  o 540.759 15.083 62.108  3.4540 59.911  4.7951  64.478  4.9796 530.294 21.352 550.135 21.374 -19.84070      30.21174 
1 1 1 -8  4  6  o 1091.28 16.752 253.101 7.7418 240.919 10.763  266.162 11.144 1062.65 23.916 1117.06 23.558 -54.40967      33.56995 
1 1 1 -8  4  7  o 1151.30 23.468 282.613 11.442 284.260 15.641  280.719 16.782 1151.20 32.083 1142.78 34.676 8.422363       47.24161 
1 1 1 -8  4  8  o 693.519 20.400 102.344 5.9916 101.348 8.0625  103.571 8.9542 688.732 27.642 695.594 30.397 -6.862793      41.08614 
1 1 1 -8  4  9  o 510.205 16.225 55.278  3.5057 58.644  5.5122  52.992  4.5428 524.502 24.816 499.003 21.497 25.49875       32.83224 
1 1 1 -8  4  10 o 615.753 21.185 80.643  5.5243 0.0000  0.0000  80.643  5.5243 ?       ?      615.753 21.185 0.000000       21.18473 
1 1 1 -8  4  11 o 593.180 20.680 74.792  5.1950 0.0000  0.0000  74.792  5.1950 ?       ?      593.180 20.680 0.000000       20.68026 
1 1 1 -8  4  12 o 556.211 17.528 65.674  4.1288 65.379  5.2065  66.172  6.7774 554.543 22.170 556.384 28.863 -1.840576      36.39478 
1 1 1 -8  4  13 o 747.888 17.184 118.705 5.4425 115.490 6.9557  123.782 8.7402 737.123 22.282 762.438 27.069 -25.31506      35.06031 
1 1 1 -8  4  14 f 281.280 15.218 16.831  1.8061 16.592  2.2683  17.245  2.9851 278.870 19.326 283.620 25.113 -4.750183      31.68844 
1 1 1 -8  4  15 o 302.707 15.244 19.486  1.9479 19.130  2.5069  20.028  3.0946 299.470 19.880 305.935 24.080 -6.464874      31.22583 
1 1 1 -8  4  16 o 425.518 16.353 38.423  2.9469 41.392  4.0561  35.104  4.2885 441.287 21.704 405.365 25.105 35.92197       33.18658 
1 1 1 -8  4  17 f 517.606 23.016 56.995  5.0451 0.0000  0.0000  56.995  5.0451 ?       ?      517.606 23.016 0.000000       23.01578 
1 1 1 -8  4  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  4  19 o 727.575 22.074 112.679 6.8014 0.0000  0.0000  112.679 6.8014 ?       ?      727.575 22.074 0.000000       22.07368 
1 1 1 -8  4  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  4  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  4  22 o 370.329 16.118 29.140  2.5278 28.932  3.9484  29.285  3.2904 367.183 25.551 370.203 21.075 -3.020111      33.12123 
1 1 1 -8  4  23 o 381.980 17.207 31.042  2.7834 28.499  4.3424  32.815  3.6263 363.457 28.439 391.558 21.958 -28.10046      35.92912 
1 1 1 -8  4  24 o 707.161 19.054 106.653 5.7064 105.111 8.7406  107.799 7.5333 698.524 29.547 709.089 25.087 -10.56561      38.76059 
1 1 1 -8  4  25 o 284.602 21.260 17.430  2.5439 19.745  3.4554  14.691  3.7589 301.502 27.360 257.366 35.426 44.13553       44.76161 
1 1 1 -8  4  26 o 882.484 33.062 169.912 12.356 0.0000  0.0000  169.912 12.356 ?       ?      882.484 33.062 0.000000       33.06163 
1 1 1 -8  4  27 o 488.161 17.549 50.956  3.6279 49.254  6.1691  51.855  4.4856 474.208 30.888 491.233 21.562 -17.02585      37.66937 
1 1 1 -8  4  28 o 337.869 18.734 24.583  2.6701 25.195  4.3471  24.213  3.3835 337.377 30.764 333.486 24.120 3.891510       39.09260 
1 1 1 -8  4  29 o 335.909 22.126 24.541  3.1299 27.703  4.3137  21.027  4.5483 353.686 29.057 304.249 35.998 49.43707       46.26189 
1 1 1 -8  4  30 o 141.310 27.812 4.5379  1.6051 3.5901  2.1524  5.7250  2.4090 124.521 37.632 156.003 37.020 -31.48251      52.78905 
1 1 1 -8  4  31 o 212.896 34.549 10.529  3.0082 10.529  3.0082  0.0000  0.0000 212.896 34.549 ?       ?      0.000000       34.54927 
1 1 1 -8  4  32 o 204.379 24.715 9.3291  2.0957 13.303  2.8343  4.5358  3.1127 242.841 28.078 137.233 45.725 105.6079       53.65768 
1 1 1 -8  5  1  o 755.462 18.399 121.325 5.8865 121.303 7.1545  121.369 10.357 754.684 22.386 752.475 32.500 2.208923       39.46381 
1 1 1 -8  5  2  o 459.675 21.848 45.007  4.2531 0.0000  0.0000  45.007  4.2531 ?       ?      459.675 21.848 0.000000       21.84822 
1 1 1 -8  5  3  o 288.458 17.650 17.755  2.1458 18.931  2.6267  15.396  3.7202 297.435 20.988 265.647 33.837 31.78857       39.81735 
1 1 1 -8  5  4  o 529.759 17.346 59.661  3.8915 62.513  6.5036  58.070  4.8569 539.726 28.555 522.026 21.969 17.69958       36.02839 
1 1 1 -8  5  5  o 323.472 17.050 22.302  2.3274 21.956  3.8364  22.503  2.9278 319.040 28.702 324.320 21.438 -5.280396      35.82393 
1 1 1 -8  5  6  o 473.290 16.747 47.602  3.3567 47.369  5.4717  47.743  4.2504 469.899 27.618 473.478 21.198 -3.578918      34.81490 
1 1 1 -8  5  7  o 718.950 17.187 109.844 5.2329 105.880 8.4707  112.291 6.6547 703.661 28.426 726.148 21.640 -22.48676      35.72539 
1 1 1 -8  5  8  o 267.740 19.593 15.326  2.2061 16.156  2.9228  14.227  3.3632 274.051 25.476 255.850 31.720 18.20168       40.68368 
1 1 1 -8  5  9  o 679.606 16.583 98.084  4.7726 96.205  7.5212  99.351  6.1752 671.549 26.446 683.326 21.339 -11.77716      33.98186 
1 1 1 -8  5  10 o 999.369 17.755 212.127 7.5145 210.558 11.944  213.155 9.6676 993.305 28.393 1000.79 22.810 -7.488586      36.42101 
1 1 1 -8  5  11 o 1138.85 23.449 275.966 11.309 0.0000  0.0000  275.966 11.309 ?       ?      1138.85 23.449 0.000000       23.44869 
1 1 1 -8  5  12 o 958.765 21.913 195.402 8.8972 0.0000  0.0000  195.402 8.8972 ?       ?      958.765 21.913 0.000000       21.91272 
1 1 1 -8  5  13 o 656.691 17.112 91.518  4.7589 88.878  5.8886  96.489  8.0800 646.731 21.500 672.982 28.351 -26.25024      35.58123 
1 1 1 -8  5  14 o 380.413 19.462 30.809  3.1248 30.809  3.1248  0.0000  0.0000 380.413 19.462 ?       ?      0.000000       19.46159 
1 1 1 -8  5  15 o 817.764 22.700 142.165 7.8613 142.165 7.8613  0.0000  0.0000 817.764 22.700 ?       ?      0.000000       22.69971 
1 1 1 -8  5  16 o 510.824 22.096 55.475  4.7799 55.475  4.7799  0.0000  0.0000 510.824 22.096 ?       ?      0.000000       22.09568 
1 1 1 -8  5  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  5  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  5  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  5  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  5  21 o 619.188 21.656 81.652  5.6787 0.0000  0.0000  81.652  5.6787 ?       ?      619.188 21.656 0.000000       21.65619 
1 1 1 -8  5  22 o 1422.03 22.376 431.084 13.475 436.511 19.897  426.486 18.316 1425.36 32.962 1410.27 30.667 15.09033       45.02200 
1 1 1 -8  5  23 o 350.911 16.604 26.191  2.4675 25.672  3.7209  26.599  3.2966 345.429 25.618 352.331 22.207 -6.902496      33.90374 
1 1 1 -8  5  24 o 807.881 19.120 139.224 6.5416 132.537 9.8541  144.493 8.7470 784.190 29.672 820.820 25.163 -36.63062      38.90563 
1 1 1 -8  5  25 o 582.877 28.026 73.317  6.9179 73.317  6.9179  0.0000  0.0000 582.877 28.026 ?       ?      0.000000       28.02569 
1 1 1 -8  5  26 o 194.864 35.318 8.5523  2.8073 0.0000  0.0000  8.5523  2.8073 ?       ?      194.864 35.318 0.000000       35.31840 
1 1 1 -8  5  27 o 384.050 17.228 31.532  2.8020 34.870  4.6548  29.636  3.5089 399.985 27.649 370.439 22.474 29.54623       35.63081 
1 1 1 -8  5  28 o 447.117 17.762 42.875  3.3632 45.854  5.5826  41.178  4.2137 456.754 29.011 435.783 22.913 20.97147       36.96835 
1 1 1 -8  5  29 o 107.452 26.469 2.6227  1.1966 3.1216  1.6960  2.1283  1.6884 116.723 32.898 99.995  33.678 16.72776       47.07922 
1 1 1 -8  5  30 o 449.248 21.938 43.842  4.1738 48.695  5.7449  38.417  6.0742 468.209 29.118 411.239 35.217 56.96948       45.69582 
1 1 1 -8  5  31 o 281.955 31.877 18.118  3.7394 18.118  3.7394  0.0000  0.0000 281.955 31.877 ?       ?      0.000000       31.87712 
1 1 1 -8  5  32 o 183.749 25.335 7.5835  1.9191 9.0639  2.5753  5.7348  2.8778 198.181 31.757 152.577 42.800 45.60442       53.29474 
1 1 1 -8  6  1  o 284.291 22.575 17.318  2.6955 20.688  3.7552  13.737  3.8715 309.798 28.958 250.051 37.734 59.74724       47.56526 
1 1 1 -8  6  2  o 377.126 21.821 30.386  3.4701 0.0000  0.0000  30.386  3.4701 ?       ?      377.126 21.821 0.000000       21.82113 
1 1 1 -8  6  3  o 172.066 23.400 6.4254  1.6609 5.4797  2.2937  7.4681  2.4082 156.623 35.412 184.060 32.061 -27.43767      47.76898 
1 1 1 -8  6  4  o 176.451 18.521 6.6932  1.3634 9.4633  2.2017  4.9705  1.7363 209.054 25.390 150.044 28.364 59.00993       38.06834 
1 1 1 -8  6  5  o 212.231 17.531 9.6391  1.5615 6.3365  2.5662  11.581  1.9677 168.356 37.003 232.402 20.194 -64.04579      42.15434 
1 1 1 -8  6  6  o 432.081 16.474 39.664  3.0145 39.463  4.8675  39.789  3.8394 428.966 26.931 432.315 20.971 -3.348236      34.13292 
1 1 1 -8  6  7  o 339.667 16.271 24.506  2.3405 24.476  3.7302  24.526  3.0058 337.613 26.297 338.804 21.053 -1.191193      33.68641 
1 1 1 -8  6  8  o 962.419 17.899 196.829 7.2953 199.801 11.748  194.963 9.3074 966.968 28.688 956.747 22.971 10.22058       36.75151 
1 1 1 -8  6  9  o 303.176 15.800 19.566  2.0216 22.039  3.1792  17.887  2.6194 320.848 23.562 289.158 21.545 31.68945       31.92787 
1 1 1 -8  6  10 o 713.313 16.225 108.007 4.9013 108.841 7.7242  107.446 6.3415 714.753 25.519 710.850 21.065 3.902222       33.09000 
1 1 1 -8  6  11 o 596.109 15.175 75.393  3.8308 71.491  5.8207  78.374  5.0880 579.649 23.712 607.359 19.781 -27.71033      30.87967 
1 1 1 -8  6  12 o 479.581 19.638 48.851  3.9884 0.0000  0.0000  48.851  3.9884 ?       ?      479.581 19.638 0.000000       19.63781 
1 1 1 -8  6  13 o 847.741 18.930 152.589 6.7962 0.0000  0.0000  152.589 6.7962 ?       ?      847.741 18.930 0.000000       18.93037 
1 1 1 -8  6  14 o 532.088 24.970 60.230  5.6266 0.0000  0.0000  60.230  5.6266 ?       ?      532.088 24.970 0.000000       24.97018 
1 1 1 -8  6  15 o 1055.16 18.988 236.410 8.4847 244.429 11.331  226.173 12.802 1071.81 24.963 1030.06 29.348 41.75085       38.52800 
1 1 1 -8  6  16 o 733.604 23.375 114.476 7.2622 114.476 7.2622  0.0000  0.0000 733.604 23.375 ?       ?      0.000000       23.37545 
1 1 1 -8  6  17 o 617.513 25.134 81.208  6.5729 81.208  6.5729  0.0000  0.0000 617.513 25.134 ?       ?      0.000000       25.13426 
1 1 1 -8  6  18 o 170.956 23.125 6.3333  1.6312 0.0000  0.0000  6.3333  1.6312 ?       ?      170.956 23.125 0.000000       23.12487 
1 1 1 -8  6  19 o 549.964 20.735 64.349  4.8293 0.0000  0.0000  64.349  4.8293 ?       ?      549.964 20.735 0.000000       20.73511 
1 1 1 -8  6  20 o 535.121 20.603 60.940  4.6691 0.0000  0.0000  60.940  4.6691 ?       ?      535.121 20.603 0.000000       20.60341 
1 1 1 -8  6  21 o 451.159 20.944 43.335  4.0015 0.0000  0.0000  43.335  4.0015 ?       ?      451.159 20.944 0.000000       20.94374 
1 1 1 -8  6  22 o 730.137 16.864 113.324 5.2145 115.499 7.7247  111.502 7.0679 735.444 24.802 723.014 23.083 12.43011       33.88184 
1 1 1 -8  6  23 o 1013.25 19.247 218.740 8.2588 224.327 12.323  214.184 11.128 1022.38 28.462 999.986 26.276 22.39264       38.73658 
1 1 1 -8  6  24 o 563.613 17.648 67.698  4.2123 64.164  6.2053  70.718  5.7365 546.411 26.816 574.601 23.574 -28.19012      35.70522 
1 1 1 -8  6  25 o 356.233 18.537 27.171  2.7869 25.560  3.9538  28.762  3.9289 343.215 27.431 364.750 25.597 -21.53479      37.51917 
1 1 1 -8  6  26 o 359.868 27.762 28.179  4.1983 0.0000  0.0000  28.179  4.1983 ?       ?      359.868 27.762 0.000000       27.76206 
1 1 1 -8  6  27 o 156.237 23.885 5.3798  1.5302 7.6611  1.8468  0.3849  2.7327 187.033 23.860 94.206  39.816 92.82692       46.41783 
1 1 1 -8  6  28 o 406.462 17.234 35.416  2.9666 42.950  4.9059  31.073  3.7247 443.344 26.246 378.120 23.375 65.22415       35.14639 
1 1 1 -8  6  29 o 354.098 21.372 27.223  3.1899 33.350  4.3452  20.061  4.6978 389.550 26.497 295.573 38.440 93.97678       46.68759 
1 1 1 -8  6  30 o 381.743 22.126 31.781  3.5616 31.132  4.7214  32.639  5.4254 373.240 30.127 379.453 34.128 -6.212921      45.52294 
1 1 1 -8  6  31 o 55.231  23.162 0.1471  0.9132 0.8696  1.1043  -1.4155 1.6241 71.297  26.861 57.527  26.886 13.76973       38.00441 
1 1 1 -8  6  32 f 140.304 27.804 4.5227  1.5937 6.3072  2.1321  2.2631  2.3991 164.662 31.725 106.408 39.687 58.25423       50.80930 
1 1 1 -8  7  1  o 740.511 22.148 116.728 6.9455 117.424 9.6494  115.981 10.005 740.899 30.754 735.999 32.100 4.899658       44.45442 
1 1 1 -8  7  2  o 405.769 21.900 35.155  3.7494 0.0000  0.0000  35.155  3.7494 ?       ?      405.769 21.900 0.000000       21.90015 
1 1 1 -8  7  3  o 277.302 21.854 16.475  2.5457 0.0000  0.0000  16.475  2.5457 ?       ?      277.302 21.854 0.000000       21.85439 
1 1 1 -8  7  4  o 471.992 20.375 47.410  4.0725 48.549  5.5433  46.073  6.0030 475.853 27.627 462.814 30.804 13.03912       41.37757 
1 1 1 -8  7  5  o 344.495 16.643 25.214  2.4281 26.248  3.9475  24.584  3.0795 349.552 26.872 339.109 21.556 10.44342       34.44949 
1 1 1 -8  7  6  o 336.699 16.434 24.082  2.3434 26.228  3.7915  22.755  2.9809 349.643 25.788 326.198 21.702 23.44580       33.70454 
1 1 1 -8  7  7  o 773.521 17.105 127.116 5.6032 134.472 9.0165  122.488 7.1519 793.669 26.826 758.436 22.267 35.23291       34.86323 
1 1 1 -8  7  8  o 454.580 15.863 43.874  3.0538 44.949  4.8484  43.167  3.9318 458.524 25.063 450.484 20.609 8.039459       32.44884 
1 1 1 -8  7  9  o 292.829 18.544 18.291  2.2878 19.734  3.0702  16.491  3.4306 303.465 24.088 276.289 29.791 27.17639       38.31136 
1 1 1 -8  7  10 o 745.359 16.124 117.918 5.0897 115.548 8.0361  119.505 6.5770 736.474 25.766 749.778 20.713 -13.30432      33.05933 
1 1 1 -8  7  11 o 217.380 15.203 10.074  1.3908 11.742  2.1542  8.8821  1.8212 233.987 21.998 203.294 21.479 30.69299       30.74505 
1 1 1 -8  7  12 o 338.018 13.880 24.230  1.9869 25.274  2.9275  23.338  2.7056 344.353 20.162 330.937 19.390 13.41632       27.97278 
1 1 1 -8  7  13 o 777.494 12.665 128.155 4.1700 125.559 7.3292  129.398 5.0708 768.569 22.518 781.034 15.331 -12.46429      27.24132 
1 1 1 -8  7  14 o 616.352 15.883 80.594  4.1457 0.0000  0.0000  80.594  4.1457 ?       ?      616.352 15.883 0.000000       15.88291 
1 1 1 -8  7  15 o 501.088 23.875 53.407  5.0663 0.0000  0.0000  53.407  5.0663 ?       ?      501.088 23.875 0.000000       23.87460 
1 1 1 -8  7  16 o 745.643 24.363 118.320 7.6932 0.0000  0.0000  118.320 7.6932 ?       ?      745.643 24.363 0.000000       24.36322 
1 1 1 -8  7  17 o 528.690 21.695 59.445  4.8574 0.0000  0.0000  59.445  4.8574 ?       ?      528.690 21.695 0.000000       21.69477 
1 1 1 -8  7  18 o 440.333 20.510 41.234  3.8247 0.0000  0.0000  41.234  3.8247 ?       ?      440.333 20.510 0.000000       20.51044 
1 1 1 -8  7  19 o 713.591 22.028 108.410 6.6568 0.0000  0.0000  108.410 6.6568 ?       ?      713.591 22.028 0.000000       22.02785 
1 1 1 -8  7  20 o 424.392 20.296 38.326  3.6476 0.0000  0.0000  38.326  3.6476 ?       ?      424.392 20.296 0.000000       20.29553 
1 1 1 -8  7  21 o 414.201 20.972 36.621  3.6667 0.0000  0.0000  36.621  3.6667 ?       ?      414.201 20.972 0.000000       20.97213 
1 1 1 -8  7  22 o 537.750 15.460 61.438  3.5208 62.375  5.0213  60.531  4.9379 540.922 21.920 532.871 21.882 8.050598       30.97242 
1 1 1 -8  7  23 o 433.810 16.033 40.025  2.9455 42.816  4.3625  37.687  3.9932 447.036 23.123 419.450 22.563 27.58615       32.30708 
1 1 1 -8  7  24 o 373.515 17.144 29.726  2.7119 33.006  3.8638  26.543  3.8073 391.856 23.390 350.658 25.820 41.19797       34.83878 
1 1 1 -8  7  25 o 320.332 18.088 21.976  2.4437 25.593  3.3806  18.017  3.5366 344.542 23.306 287.140 29.503 57.40189       37.59787 
1 1 1 -8  7  26 o 251.858 30.533 13.977  3.1901 0.0000  0.0000  13.977  3.1901 ?       ?      251.858 30.533 0.000000       30.53279 
1 1 1 -8  7  27 f 171.012 22.561 6.4020  1.5940 7.0845  2.0456  5.3470  2.5433 178.596 27.964 152.164 39.221 26.43115       48.16892 
1 1 1 -8  7  28 o 189.975 22.960 7.9186  1.8097 8.8573  2.4281  6.7453  2.7144 198.875 29.743 170.127 38.566 28.74857       48.70268 
1 1 1 -8  7  29 o 171.786 26.192 6.5877  1.8452 6.1790  2.2960  7.3331  3.1006 163.534 34.250 175.458 42.236 -11.92482      54.37806 
1 1 1 -8  7  30 o 399.761 17.852 34.444  3.0223 40.465  4.8501  30.622  3.8643 427.804 26.908 373.281 24.583 54.52347       36.44633 
1 1 1 -8  7  31 o 159.936 21.831 5.6797  1.4400 8.4519  2.0623  3.0422  2.0116 194.111 25.722 114.831 36.657 79.28047       44.78095 
1 1 1 -8  7  32 o 259.294 22.704 14.844  2.4680 16.265  3.2733  12.972  3.7571 267.983 29.321 233.012 39.484 34.97087       49.18021 
1 1 1 -8  8  1  o 964.591 23.043 198.101 9.4128 202.241 13.098  193.680 13.536 972.207 31.814 950.834 33.615 21.37354       46.28292 
1 1 1 -8  8  2  o 316.991 17.594 21.414  2.3527 23.334  3.9268  20.339  2.9384 329.313 28.436 308.241 22.669 21.07239       36.36597 
1 1 1 -8  8  3  o 591.403 21.451 74.447  5.3726 0.0000  0.0000  74.447  5.3726 ?       ?      591.403 21.451 0.000000       21.45150 
1 1 1 -8  8  4  o 421.194 20.045 37.739  3.5754 32.143  4.8412  44.455  5.3032 386.520 29.806 455.372 27.630 -68.85254      40.64253 
1 1 1 -8  8  5  o 462.118 19.947 45.427  3.9037 45.182  5.2429  45.732  5.8477 459.207 27.080 461.372 30.094 -2.164703      40.48410 
1 1 1 -8  8  6  o 289.207 16.360 17.820  1.9956 17.031  3.1876  18.329  2.5591 281.168 27.106 292.776 20.775 -11.60840      34.15156 
1 1 1 -8  8  7  o 780.025 16.911 129.236 5.5862 130.533 9.0303  128.431 7.1098 781.992 27.268 776.830 21.612 5.162231       34.79390 
1 1 1 -8  8  8  o 967.928 17.488 199.005 7.1684 190.175 11.634  204.409 9.1011 943.588 29.115 980.101 21.927 -36.51288      36.44813 
1 1 1 -8  8  9  o 542.886 18.332 62.608  4.2146 64.298  5.7008  60.570  6.2591 549.471 24.499 532.148 27.871 17.32336       37.10744 
1 1 1 -8  8  10 o 1063.78 17.466 240.263 7.8683 247.041 12.617  235.951 10.065 1076.48 27.677 1053.24 22.565 23.24927       35.71025 
1 1 1 -8  8  11 o 1097.09 17.284 255.486 8.0300 262.366 12.630  250.819 10.403 1109.83 26.872 1086.07 22.619 23.75940       35.12477 
1 1 1 -8  8  12 o 436.173 13.909 40.344  2.5692 42.400  3.7925  38.601  3.4926 446.790 20.044 426.345 19.344 20.44479       27.85591 
1 1 1 -8  8  13 f 96.791  14.896 2.0333  0.5910 2.9498  1.0996  1.6610  0.7008 115.747 23.241 86.734  19.548 29.01244       30.36856 
1 1 1 -8  8  14 o 317.218 10.989 21.327  1.4763 22.157  2.6884  20.969  1.7665 322.392 19.787 314.476 13.264 7.916504       23.82134 
1 1 1 -8  8  15 o 321.768 15.067 21.963  2.0532 21.668  2.6938  22.373  3.1716 318.747 20.058 323.517 23.305 -4.769623      30.74852 
1 1 1 -8  8  16 o 273.616 15.684 15.938  1.8098 19.029  2.5244  12.670  2.5960 298.586 20.080 242.589 25.658 55.99692       32.58166 
1 1 1 -8  8  17 o 621.504 16.376 82.000  4.3103 80.878  6.3853  82.938  5.8422 616.272 24.466 624.399 22.094 -8.126709      32.96558 
1 1 1 -8  8  18 o 288.698 20.742 17.818  2.5190 0.0000  0.0000  17.818  2.5190 ?       ?      288.698 20.742 0.000000       20.74202 
1 1 1 -8  8  19 o 687.392 21.857 100.597 6.3626 0.0000  0.0000  100.597 6.3626 ?       ?      687.392 21.857 0.000000       21.85696 
1 1 1 -8  8  20 o 667.459 21.703 94.873  6.1346 0.0000  0.0000  94.873  6.1346 ?       ?      667.459 21.703 0.000000       21.70301 
1 1 1 -8  8  21 f 146.230 27.895 4.7218  1.6644 0.0000  0.0000  4.7218  1.6644 ?       ?      146.230 27.895 0.000000       27.89542 
1 1 1 -8  8  22 o 323.999 21.727 22.479  2.9640 0.0000  0.0000  22.479  2.9640 ?       ?      323.999 21.727 0.000000       21.72748 
1 1 1 -8  8  23 o 543.426 16.148 62.821  3.7163 60.828  5.4340  64.573  5.0937 533.233 24.063 549.889 21.873 -16.65601      32.51903 
1 1 1 -8  8  24 o 441.422 17.053 41.522  3.1879 36.075  4.5717  46.678  4.4475 408.791 26.552 466.931 22.492 -58.14014      34.79755 
1 1 1 -8  8  25 o 658.945 18.070 92.721  5.0425 93.401  7.2953  92.099  6.9775 658.328 26.167 654.141 25.188 4.187256       36.31996 
1 1 1 -8  8  26 o 745.049 27.105 120.086 8.5523 0.0000  0.0000  120.086 8.5523 ?       ?      745.049 27.105 0.000000       27.10538 
1 1 1 -8  8  27 o 324.941 26.370 23.037  3.5975 23.037  3.5975  0.0000  0.0000 324.941 26.370 ?       ?      0.000000       26.37000 
1 1 1 -8  8  28 o 345.031 27.024 26.155  3.9171 26.155  3.9171  0.0000  0.0000 345.031 27.024 ?       ?      0.000000       27.02418 
1 1 1 -8  8  29 o 459.767 20.402 45.678  3.9724 41.384  5.3389  51.003  5.9455 432.144 29.347 479.888 29.397 -47.74411      41.53833 
1 1 1 -8  8  30 o 288.477 18.348 18.030  2.2299 18.212  3.4998  17.907  2.8933 284.975 29.423 285.124 24.189 -0.1486816     38.08998 
1 1 1 -8  8  31 o 294.494 18.830 18.873  2.3361 21.550  3.6447  17.006  3.0435 309.836 28.082 275.937 26.365 33.89862       38.51935 
1 1 1 -8  8  32 o 264.919 19.753 15.341  2.2002 18.895  3.3832  12.737  2.8962 289.849 27.907 236.693 29.536 53.15599       40.63505 
1 1 1 -8  9  1  o 1208.86 19.981 310.653 10.229 316.150 17.321  307.709 12.676 1215.12 33.659 1201.81 24.905 13.31140       41.87108 
1 1 1 -8  9  2  o 647.133 20.942 89.081  5.7393 92.073  7.8946  85.727  8.3586 656.659 28.389 633.079 31.177 23.57990       42.16521 
1 1 1 -8  9  3  o 373.945 21.395 29.852  3.3741 0.0000  0.0000  29.852  3.3741 ?       ?      373.945 21.395 0.000000       21.39502 
1 1 1 -8  9  4  o 190.866 23.855 7.8807  1.8861 0.0000  0.0000  7.8807  1.8861 ?       ?      190.866 23.855 0.000000       23.85517 
1 1 1 -8  9  5  o 482.622 19.934 49.536  4.0742 52.333  5.4507  45.995  6.1331 494.615 26.115 462.513 31.500 32.10156       40.91711 
1 1 1 -8  9  6  o 438.617 16.078 40.850  2.9864 38.078  4.7594  42.651  3.8355 421.599 26.796 447.816 20.224 -26.21634      33.57145 
1 1 1 -8  9  7  o 1303.57 23.403 361.866 12.920 358.535 17.779  365.594 18.807 1294.19 32.438 1306.17 33.999 -11.98157      46.99139 
1 1 1 -8  9  8  o 518.504 18.417 57.117  4.0441 58.269  5.4889  55.748  5.9813 523.005 24.782 510.435 27.774 12.56989       37.22325 
1 1 1 -8  9  9  o 504.826 17.919 54.123  3.8308 53.278  5.1914  55.132  5.6763 500.232 24.506 507.950 26.479 -7.717285      36.07882 
1 1 1 -8  9  10 o 1153.84 20.960 282.971 10.242 278.816 13.902  287.902 15.146 1143.46 28.708 1161.33 30.797 -17.86633      42.10231 
1 1 1 -8  9  11 o 923.531 18.611 181.104 7.2787 174.983 9.6953  189.009 11.019 906.731 25.249 941.898 27.623 -35.16626      37.42397 
1 1 1 -8  9  12 o 464.819 12.960 45.808  2.5511 38.885  3.9850  50.615  3.3207 427.165 22.105 488.432 16.054 -61.26715      27.31925 
1 1 1 -8  9  13 o 343.419 12.187 25.001  1.7724 27.053  2.8792  23.748  2.2490 356.434 19.145 334.577 15.872 21.85693       24.86868 
1 1 1 -8  9  14 o 384.197 11.935 31.290  1.9419 34.057  3.2590  29.766  2.4181 400.474 19.216 374.595 15.243 25.87946       24.52744 
1 1 1 -8  9  15 o 457.466 12.443 44.370  2.4107 47.181  3.9183  42.657  3.0578 471.288 19.632 448.360 16.104 22.92807       25.39247 
1 1 1 -8  9  16 o 864.836 17.353 158.798 6.3557 157.228 8.8794  160.448 9.1013 859.427 24.397 868.116 24.756 -8.688843      34.75719 
1 1 1 -8  9  17 f 391.331 15.553 32.503  2.5775 32.618  3.8236  32.408  3.4896 390.772 23.209 389.791 21.220 0.9812927      31.44742 
1 1 1 -8  9  18 o 603.074 16.533 77.238  4.2224 78.585  6.6397  76.322  5.4713 607.032 25.828 598.874 21.573 8.158630       33.65248 
1 1 1 -8  9  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  9  20 o 1082.88 25.916 250.350 11.885 0.0000  0.0000  250.350 11.885 ?       ?      1082.88 25.916 0.000000       25.91646 
1 1 1 -8  9  21 o 302.395 14.408 19.415  1.8451 20.636  2.4649  17.859  2.7826 310.902 18.809 288.527 22.963 22.37573       29.68315 
1 1 1 -8  9  22 o 549.396 20.822 64.328  4.8445 64.328  4.8445  0.0000  0.0000 549.396 20.822 ?       ?      0.000000       20.82172 
1 1 1 -8  9  23 o 733.539 16.600 114.518 5.1568 119.660 7.3630  109.568 7.2247 747.999 23.244 715.580 23.841 32.41882       33.29645 
1 1 1 -8  9  24 o 497.130 16.745 52.662  3.5252 53.562  5.0457  51.804  4.9273 499.743 23.841 491.521 23.671 8.222595       33.59677 
1 1 1 -8  9  25 o 238.811 18.922 12.265  1.8980 12.613  2.4881  11.781  2.9354 240.901 24.740 231.116 30.754 9.784866       39.47045 
1 1 1 -8  9  26 o 333.037 30.104 24.306  4.2000 0.0000  0.0000  24.306  4.2000 ?       ?      333.037 30.104 0.000000       30.10434 
1 1 1 -8  9  27 o 346.020 26.018 26.104  3.7846 26.104  3.7846  0.0000  0.0000 346.020 26.018 ?       ?      0.000000       26.01769 
1 1 1 -8  9  28 o 453.605 19.064 44.280  3.6621 47.746  5.0179  40.330  5.3566 467.471 25.443 427.065 29.804 40.40662       39.18718 
1 1 1 -8  9  29 o 72.371  26.357 0.9597  1.0475 1.0392  1.1738  0.6488  2.3217 75.812  27.856 89.233  37.137 -13.42074      46.42324 
1 1 1 -8  9  30 o 521.568 20.606 59.048  4.5515 55.637  6.0569  63.472  6.8984 499.831 28.735 532.093 30.745 -32.26260      42.08259 
1 1 1 -8  9  31 o 275.117 18.497 16.469  2.1426 20.650  3.2217  13.154  2.8690 304.859 25.179 241.179 28.651 63.68059       38.14270 
1 1 1 -8  10 1  o 1543.49 21.915 506.728 14.325 517.925 24.201  500.689 17.772 1554.13 36.771 1532.33 27.387 21.79480       45.84936 
1 1 1 -8  10 2  o 498.712 20.410 52.881  4.3106 46.451  5.8502  60.520  6.3759 465.391 29.840 531.752 28.416 -66.36090      41.20584 
1 1 1 -8  10 3  o 359.471 16.654 27.440  2.5352 24.914  4.1552  28.937  3.1999 340.327 29.111 368.305 20.598 -27.97824      35.66097 
1 1 1 -8  10 4  o 773.489 30.697 127.932 10.055 0.0000  0.0000  127.932 10.055 ?       ?      773.489 30.697 0.000000       30.69719 
1 1 1 -8  10 5  o 379.376 19.549 30.678  3.1302 31.271  4.2209  29.952  4.6660 382.042 26.248 373.224 29.768 8.817444       39.68736 
1 1 1 -8  10 6  o 752.684 27.242 120.872 8.6836 120.872 8.6836  0.0000  0.0000 752.684 27.242 ?       ?      0.000000       27.24220 
1 1 1 -8  10 7  o 1465.90 24.503 457.708 15.212 446.100 21.061  470.367 21.994 1443.05 34.463 1481.48 35.057 -38.43127      49.15948 
1 1 1 -8  10 8  f 1209.67 22.199 311.281 11.372 310.636 15.650  312.002 16.553 1205.91 30.645 1207.95 32.359 -2.042847      44.56698 
1 1 1 -8  10 9  o 1001.33 20.334 213.084 8.6227 220.284 11.811  204.868 12.617 1016.59 27.435 979.638 30.413 36.95673       40.95853 
1 1 1 -8  10 10 o 950.222 19.252 191.780 7.7470 187.881 10.456  196.526 11.535 939.265 26.286 960.179 28.369 -20.91406      38.67477 
1 1 1 -8  10 11 o 515.703 16.388 56.433  3.5790 57.631  4.6971  54.774  5.5263 520.770 21.298 506.626 25.843 14.14413       33.48844 
1 1 1 -8  10 12 o 1060.54 15.652 238.607 7.0299 233.244 11.462  241.841 8.9004 1046.86 25.855 1067.12 19.695 -20.26025      32.50137 
1 1 1 -8  10 13 f 672.032 12.926 95.752  3.6786 91.197  6.0371  98.442  4.6394 655.084 21.761 681.167 16.083 -26.08307      27.05947 
1 1 1 -8  10 14 o 464.372 12.110 45.714  2.3815 50.820  3.9919  42.892  2.9675 489.186 19.269 449.640 15.584 39.54611       24.78238 
1 1 1 -8  10 15 o 1046.06 15.115 232.146 6.6957 248.728 11.241  223.029 8.3356 1081.06 24.554 1024.70 19.209 56.36218       31.17487 
1 1 1 -8  10 16 o 598.775 13.441 76.043  3.4083 78.086  5.6344  74.864  4.2801 605.930 21.957 593.820 17.020 12.10968       27.78146 
1 1 1 -8  10 17 o 289.054 13.915 17.726  1.7033 19.287  2.9855  16.973  2.0740 300.034 23.689 282.156 17.442 17.87796       29.41818 
1 1 1 -8  10 18 o 378.113 16.049 30.359  2.5699 29.971  4.1124  30.608  3.2917 373.923 26.134 378.758 20.599 -4.835602      33.27654 
1 1 1 -8  10 19 o 359.757 23.578 27.702  3.5723 27.702  3.5723  0.0000  0.0000 359.757 23.578 ?       ?      0.000000       23.57809 
1 1 1 -8  10 20 o 970.331 17.491 200.127 7.1875 202.469 10.215  197.831 10.115 974.136 24.761 962.899 24.806 11.23621       35.04898 
1 1 1 -8  10 21 o 208.685 13.867 9.2856  1.2185 9.8405  1.7994  8.8156  1.6561 214.072 20.083 202.598 19.544 11.47414       28.02307 
1 1 1 -8  10 22 o 548.555 13.589 63.901  3.1567 72.386  4.8689  57.748  4.1462 582.914 19.724 520.791 18.799 62.12262       27.24768 
1 1 1 -8  10 23 o 549.321 13.763 64.129  3.2016 68.092  5.0548  61.474  4.1373 564.643 21.139 537.099 18.189 27.54407       27.88758 
1 1 1 -8  10 24 o 216.113 18.204 10.035  1.6506 10.980  2.1474  8.6714  2.5803 225.231 22.829 197.701 31.906 27.53029       39.23174 
1 1 1 -8  10 25 o 427.553 17.192 39.020  3.1128 40.500  4.3731  37.500  4.4318 433.334 23.923 416.496 25.245 16.83884       34.77967 
1 1 1 -8  10 26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  10 27 o 704.410 19.323 106.536 5.7642 92.864  8.0435  120.969 8.2645 651.962 29.133 746.344 26.148 -94.38226      39.14608 
1 1 1 -8  10 28 o 420.714 19.450 38.135  3.4654 42.822  4.5525  31.676  5.3438 443.051 24.357 375.598 33.963 67.45334       41.79403 
1 1 1 -8  10 29 o 156.486 26.016 5.4915  1.6635 4.1824  2.0776  7.8297  2.7767 133.835 35.911 183.195 37.064 -49.36028      51.60715 
1 1 1 -8  10 30 o 447.347 20.324 43.444  3.8504 37.394  5.0531  51.821  5.9458 408.697 29.391 481.479 29.300 -72.78265      41.50082 
1 1 1 -8  10 31 o 217.015 23.882 10.474  2.1585 10.025  2.5980  11.474  3.8786 209.370 30.172 216.052 43.888 -6.682709      53.25919 
1 1 1 -8  11 1  o 1494.16 26.117 475.595 16.526 476.730 22.929  474.369 23.840 1491.75 36.295 1487.30 37.850 4.452759       52.44024 
1 1 1 -8  11 2  f 569.469 20.409 68.936  4.9219 68.267  6.7240  69.708  7.2241 565.720 28.066 570.598 30.001 -4.877747      41.08239 
1 1 1 -8  11 3  o 475.301 20.055 48.022  4.0369 51.948  5.5369  43.567  5.8981 492.918 26.624 450.447 31.110 42.47086       40.94661 
1 1 1 -8  11 4  o 1211.49 23.158 312.424 11.881 302.409 16.323  323.711 17.327 1188.92 32.419 1229.75 33.272 -40.82471      46.45412 
1 1 1 -8  11 5  o 412.248 28.891 36.455  5.0119 0.0000  0.0000  36.455  5.0119 ?       ?      412.248 28.891 0.000000       28.89061 
1 1 1 -8  11 6  f 446.294 25.981 42.591  4.8892 42.591  4.8892  0.0000  0.0000 446.294 25.981 ?       ?      0.000000       25.98124 
1 1 1 -8  11 7  o 1260.29 31.484 339.441 16.804 339.441 16.804  0.0000  0.0000 1260.29 31.484 ?       ?      0.000000       31.48425 
1 1 1 -8  11 8  o 668.683 18.708 94.975  5.2978 93.141  7.2549  97.071  7.7545 661.248 25.908 674.860 27.133 -13.61206      37.51533 
1 1 1 -8  11 9  o 1337.78 22.533 380.589 12.766 366.535 17.572  396.297 18.577 1310.10 31.671 1362.06 32.206 -51.95398      45.16978 
1 1 1 -8  11 10 o 1112.24 20.374 262.824 9.5965 269.429 13.014  254.951 14.208 1124.63 27.325 1093.14 30.690 31.49060       41.09187 
1 1 1 -8  11 11 o 477.043 13.387 48.254  2.7046 46.681  4.2868  49.294  3.4859 468.681 21.598 481.947 17.079 -13.26584      27.53510 
1 1 1 -8  11 12 o 732.219 16.900 113.774 5.2404 112.531 6.8893  115.481 8.0726 727.614 22.358 736.611 25.878 -8.996704      34.19873 
1 1 1 -8  11 13 o 567.339 12.599 68.240  3.0271 70.422  4.9888  66.968  3.8083 575.758 20.460 561.813 16.006 13.94434       25.97740 
1 1 1 -8  11 14 o 521.223 12.271 57.596  2.7086 57.048  4.5563  57.896  3.3684 518.147 20.764 522.404 15.226 -4.257019      25.74834 
1 1 1 -8  11 15 o 537.470 12.434 61.250  2.8301 63.649  4.7368  59.918  3.5294 547.270 20.438 531.383 15.684 15.88672       25.76196 
1 1 1 -8  11 16 o 421.911 15.269 37.776  2.7282 36.950  3.8437  38.614  3.8730 416.225 21.883 425.561 21.561 -9.336304      30.72039 
1 1 1 -8  11 17 o 688.555 17.232 100.701 5.0247 0.0000  0.0000  100.701 5.0247 ?       ?      688.555 17.232 0.000000       17.23172 
1 1 1 -8  11 18 o 955.083 15.986 193.709 6.4659 192.471 11.389  194.298 7.8544 949.101 28.336 955.881 19.403 -6.779907      34.34208 
1 1 1 -8  11 19 o 443.348 18.178 41.787  3.4130 49.277  4.3408  29.658  5.5237 481.086 21.306 369.764 35.720 111.3223       41.59136 
1 1 1 -8  11 20 o 768.119 16.093 125.341 5.2348 124.039 7.4072  126.641 7.3992 762.833 22.929 770.849 22.666 -8.016113      32.24065 
1 1 1 -8  11 21 o 207.712 14.135 9.2029  1.2360 8.3999  1.8266  9.8809  1.6786 197.273 22.253 214.706 18.646 -17.43274      29.03220 
1 1 1 -8  11 22 o 732.726 14.312 114.066 4.4411 125.514 6.8999  105.969 5.8029 767.072 21.240 705.244 19.429 61.82770       28.78646 
1 1 1 -8  11 23 o 657.434 14.276 91.898  3.9746 88.053  6.1683  94.627  5.1973 641.523 22.704 666.216 18.421 -24.69312      29.23766 
1 1 1 -8  11 24 o 677.226 23.562 98.425  6.7575 98.425  6.7575  0.0000  0.0000 677.226 23.562 ?       ?      0.000000       23.56182 
1 1 1 -8  11 25 o 487.278 30.119 51.740  6.1849 0.0000  0.0000  51.740  6.1849 ?       ?      487.278 30.119 0.000000       30.11938 
1 1 1 -8  11 26 o 198.388 17.374 8.4766  1.4450 8.2224  2.1080  8.7018  1.9846 193.241 26.454 199.548 23.964 -6.307449      35.69412 
1 1 1 -8  11 27 o 533.792 15.530 60.904  3.5106 61.247  5.6235  60.684  4.4939 531.357 24.990 531.204 19.976 0.1525269      31.99335 
1 1 1 -8  11 28 o 205.256 19.253 9.1532  1.6540 9.2741  2.3941  9.0428  2.2878 203.629 28.548 201.396 27.546 2.233765       39.67041 
1 1 1 -8  11 29 o 677.119 19.880 99.093  5.7008 104.462 7.7845  92.884  8.3717 689.666 26.653 646.673 30.569 42.99286       40.55721 
1 1 1 -8  11 30 o 340.581 20.393 25.287  2.9279 23.711  3.8097  27.561  4.5761 325.735 27.886 349.035 31.291 -23.29990      41.91384 
1 1 1 -8  11 31 o 194.239 23.795 8.4134  1.9164 9.6987  2.2701  5.2256  3.5751 207.576 26.423 145.484 49.005 62.09192       55.67474 
1 1 1 -8  12 1  f 957.815 22.252 195.070 9.0262 203.165 12.440  186.070 13.117 975.799 30.103 933.078 33.195 42.72052       44.81184 
1 1 1 -8  12 2  o 617.801 20.496 81.119  5.3625 80.033  7.3290  82.371  7.8671 612.630 28.249 621.253 29.902 -8.622803      41.13575 
1 1 1 -8  12 3  o 521.159 19.832 57.718  4.3771 58.466  5.9418  56.831  6.4725 523.059 26.915 515.138 29.796 7.921082       40.15274 
1 1 1 -8  12 4  o 325.009 19.810 22.531  2.7137 21.933  3.6914  23.234  4.0029 319.556 27.546 328.711 29.055 -9.154602      40.03693 
1 1 1 -8  12 5  o 634.072 28.436 85.771  7.6359 0.0000  0.0000  85.771  7.6359 ?       ?      634.072 28.436 0.000000       28.43643 
1 1 1 -8  12 6  o 797.731 29.005 135.786 9.7989 0.0000  0.0000  135.786 9.7989 ?       ?      797.731 29.005 0.000000       29.00527 
1 1 1 -8  12 7  f 1135.79 29.969 275.332 14.415 275.332 14.415  0.0000  0.0000 1135.79 29.969 ?       ?      0.000000       29.96910 
1 1 1 -8  12 8  o 667.203 25.205 94.773  7.1218 94.773  7.1218  0.0000  0.0000 667.203 25.205 ?       ?      0.000000       25.20501 
1 1 1 -8  12 9  o 830.903 18.796 146.613 6.6140 153.742 8.9784  138.154 9.7801 849.930 24.944 805.030 28.687 44.90070       38.01528 
1 1 1 -8  12 10 o 851.426 18.182 153.899 6.5559 144.410 8.7551  166.010 9.8914 823.796 25.096 883.017 26.451 -59.22083      36.46173 
1 1 1 -8  12 11 o 545.543 13.411 63.107  3.0983 64.005  4.9412  62.525  3.9774 548.836 21.259 542.771 17.304 6.064270       27.41124 
1 1 1 -8  12 12 o 1177.45 16.250 294.160 8.1031 282.289 13.439  300.942 10.157 1151.25 27.564 1190.30 20.150 -39.04309      34.14370 
1 1 1 -8  12 13 o 728.018 16.423 112.468 5.0633 100.272 6.6607  129.163 7.7932 686.720 22.903 779.296 23.614 -92.57666      32.89648 
1 1 1 -8  12 14 f 327.712 12.047 22.768  1.6719 26.048  2.8552  21.057  2.0624 349.655 19.358 315.032 15.459 34.62265       24.77290 
1 1 1 -8  12 15 o 820.292 13.637 142.717 4.7374 146.347 8.0165  140.770 5.8725 829.410 22.823 814.294 17.029 15.11646       28.47607 
1 1 1 -8  12 16 o 916.259 17.553 178.306 6.8112 185.297 9.5836  171.170 9.6821 932.767 24.261 896.232 25.510 36.53473       35.20441 
1 1 1 -8  12 17 o 639.874 13.609 86.870  3.6877 76.762  6.3528  92.006  4.5288 600.082 24.998 658.242 16.246 -58.15961      29.81359 
1 1 1 -8  12 18 o 484.083 12.169 49.705  2.4946 56.032  3.6627  44.230  3.4070 513.568 16.841 456.215 17.634 57.35239       24.38399 
1 1 1 -8  12 19 o 406.607 17.709 35.143  3.0494 36.542  3.9202  33.001  4.8526 413.532 22.469 391.608 29.476 21.92426       37.06367 
1 1 1 -8  12 20 o 426.635 13.248 38.629  2.3935 40.943  3.7531  37.042  3.1075 438.570 20.207 417.421 17.579 21.14905       26.78328 
1 1 1 -8  12 21 f 525.732 13.775 58.685  3.0670 62.618  4.7020  55.772  4.0462 542.173 20.479 511.939 18.663 30.23407       27.70729 
1 1 1 -8  12 22 o 223.294 14.578 10.641  1.3710 10.774  1.9173  10.502  1.9613 223.851 20.451 220.851 21.231 3.000183       29.47883 
1 1 1 -8  12 23 o 422.991 20.462 38.223  3.6654 38.223  3.6654  0.0000  0.0000 422.991 20.462 ?       ?      0.000000       20.46192 
1 1 1 -8  12 24 o 591.567 18.071 74.712  4.5272 75.503  5.5943  73.213  7.7061 593.431 22.260 579.993 31.492 13.43756       38.56513 
1 1 1 -8  12 25 o 696.572 19.409 103.864 5.7254 0.0000  0.0000  103.864 5.7254 ?       ?      696.572 19.409 0.000000       19.40861 
1 1 1 -8  12 26 o 204.954 16.915 9.0382  1.4550 8.5204  2.1871  9.4493  1.9488 196.541 26.990 208.372 22.439 -11.83116      35.09890 
1 1 1 -8  12 27 o 142.366 23.107 4.4900  1.3454 2.4686  1.8600  6.7078  1.9483 106.993 35.332 173.405 27.444 -66.41202      44.73855 
1 1 1 -8  12 28 o 115.297 25.290 3.0085  1.2009 3.7595  1.4884  1.6078  2.0327 128.468 28.136 96.011  36.378 32.45739       45.98909 
1 1 1 -8  12 29 o 223.360 20.958 10.902  1.9592 10.365  2.5365  11.696  3.0848 214.932 28.575 226.455 33.147 -11.52306      43.76413 
1 1 1 -8  12 30 o 269.397 17.594 15.740  1.9963 14.625  3.0083  16.616  2.6685 254.908 28.347 274.497 23.172 -19.58948      36.61291 
1 1 1 -8  12 31 o 178.329 25.474 7.1636  1.8691 7.0390  2.2367  7.4521  3.4032 174.127 31.491 171.980 45.879 2.147537       55.64648 
1 1 1 -8  13 1  o 1024.55 22.466 223.177 9.7476 224.979 13.436  221.173 14.164 1026.82 30.897 1017.59 32.867 9.235413       45.10971 
1 1 1 -8  13 2  o 858.551 21.199 156.669 7.7075 159.272 10.587  153.734 11.243 864.254 28.926 848.594 31.284 15.65985       42.60785 
1 1 1 -8  13 3  o 697.973 20.087 103.515 5.9374 106.757 8.1322  99.812  8.6890 707.810 27.130 683.918 30.000 23.89178       40.44799 
1 1 1 -8  13 4  o 299.731 20.080 19.175  2.5341 18.920  3.4542  19.473  3.7291 296.635 27.822 300.667 29.674 -4.032227      40.67706 
1 1 1 -8  13 5  o 647.252 19.309 88.998  5.2927 83.283  7.2623  95.471  7.7295 625.089 27.434 669.294 27.270 -44.20453      38.68196 
1 1 1 -8  13 6  o 540.349 27.369 62.383  6.2425 0.0000  0.0000  62.383  6.2425 ?       ?      540.349 27.369 0.000000       27.36913 
1 1 1 -8  13 7  o 921.158 29.220 180.976 11.399 0.0000  0.0000  180.976 11.399 ?       ?      921.158 29.220 0.000000       29.22037 
1 1 1 -8  13 8  o 357.496 24.016 27.311  3.6149 27.311  3.6149  0.0000  0.0000 357.496 24.016 ?       ?      0.000000       24.01626 
1 1 1 -8  13 9  o 792.138 24.712 133.512 8.2899 133.512 8.2899  0.0000  0.0000 792.138 24.712 ?       ?      0.000000       24.71191 
1 1 1 -8  13 10 o 620.155 25.036 81.834  6.5752 0.0000  0.0000  81.834  6.5752 ?       ?      620.155 25.036 0.000000       25.03614 
1 1 1 -8  13 11 o 947.411 15.041 190.391 6.0347 184.655 9.8501  193.838 7.6354 931.606 24.967 955.471 18.870 -23.86548      31.29568 
1 1 1 -8  13 12 o 791.729 13.889 132.931 4.6568 133.285 7.6487  132.722 5.8703 791.765 22.811 790.752 17.530 1.013000       28.76860 
1 1 1 -8  13 13 o 508.030 12.402 54.719  2.6683 54.091  4.4060  55.083  3.3531 504.546 20.621 509.534 15.539 -4.987091      25.82007 
1 1 1 -8  13 14 o 1104.07 19.045 258.923 8.9049 248.587 12.159  270.880 13.078 1080.21 26.580 1127.39 27.392 -47.18298      38.16807 
1 1 1 -8  13 15 o 519.794 15.387 57.337  3.3871 56.055  4.6173  58.831  4.9837 513.438 21.235 525.874 22.378 -12.43610      30.85020 
1 1 1 -8  13 16 o 925.964 17.611 182.128 6.9060 185.355 9.7283  178.851 9.8052 932.722 24.629 916.061 25.275 16.66168       35.29011 
1 1 1 -8  13 17 o 509.870 13.398 55.157  2.8930 59.244  5.0552  53.167  3.5278 527.446 22.632 500.314 16.650 27.13187       28.09660 
1 1 1 -8  13 18 o 528.772 12.102 59.308  2.7100 58.495  3.9093  60.060  3.7601 524.623 17.596 531.695 16.699 -7.071533      24.25834 
1 1 1 -8  13 19 o 781.836 18.626 129.999 6.1670 133.763 8.0292  124.583 9.6306 791.952 23.940 762.788 29.813 29.16394       38.23547 
1 1 1 -8  13 20 f 359.244 13.438 27.393  2.0444 28.303  3.1282  26.714  2.7010 364.036 20.373 353.967 18.079 10.06931       27.23780 
1 1 1 -8  13 21 o 551.085 17.505 64.603  4.0853 70.692  5.0198  52.659  7.0303 575.967 20.580 493.348 33.854 82.61841       39.61871 
1 1 1 -8  13 22 o 327.293 20.078 22.934  2.7695 22.934  2.7695  0.0000  0.0000 327.293 20.078 ?       ?      0.000000       20.07807 
1 1 1 -8  13 23 o 692.143 23.942 102.739 7.0177 0.0000  0.0000  102.739 7.0177 ?       ?      692.143 23.942 0.000000       23.94155 
1 1 1 -8  13 24 o 258.420 19.960 14.371  2.1675 0.0000  0.0000  14.371  2.1675 ?       ?      258.420 19.960 0.000000       19.96041 
1 1 1 -8  13 25 o 578.855 14.657 71.406  3.5929 76.586  5.6664  67.924  4.6464 596.933 22.415 563.186 19.481 33.74719       29.69779 
1 1 1 -8  13 26 o 198.821 18.233 8.5351  1.5181 6.3866  2.2143  10.440  2.0853 168.095 32.279 218.962 22.823 -50.86720      39.53310 
1 1 1 -8  13 27 o 152.110 20.856 5.0784  1.3081 2.7983  1.8387  7.4153  1.8615 111.950 34.959 183.251 24.608 -71.30098      42.75162 
1 1 1 -8  13 28 o 170.180 19.493 6.3248  1.3795 6.0440  1.9110  6.6303  1.9934 163.530 28.639 171.528 28.439 -7.997955      40.35992 
1 1 1 -8  13 29 o 157.519 21.358 5.4779  1.3880 6.0474  1.9461  4.8882  1.9802 162.977 29.272 144.966 32.997 18.01062       44.10913 
1 1 1 -8  13 30 o 146.020 23.911 4.7950  1.4274 5.0275  1.9570  4.5307  2.0866 146.486 32.405 137.991 35.502 8.494354       48.06735 
1 1 1 -8  13 31 o 51.949  21.711 0.1453  0.7982 0.5049  1.1917  -0.1472 1.0750 66.964  27.093 55.424  24.208 11.53943       36.33249 
1 1 1 -8  14 1  o 503.314 20.130 53.809  4.2907 52.134  5.8623  55.742  6.2970 493.890 28.145 510.566 29.245 -16.67676      40.58800 
1 1 1 -8  14 2  o 292.699 20.824 18.295  2.5644 16.759  3.4315  20.238  3.8593 278.831 29.509 306.598 30.112 -27.76663      42.16007 
1 1 1 -8  14 3  o 1356.53 24.003 391.497 13.789 373.182 19.119  411.353 19.907 1321.22 34.170 1387.25 33.884 -66.03650      48.12188 
1 1 1 -8  14 4  o 863.173 20.495 158.318 7.4917 155.392 10.341  161.550 10.868 853.745 28.603 870.312 29.487 -16.56683      41.08023 
1 1 1 -8  14 5  o 1382.29 23.853 406.514 13.963 403.538 19.392  409.718 20.121 1374.12 33.324 1384.21 34.325 -10.09253      47.84053 
1 1 1 -8  14 6  o 425.527 18.311 38.448  3.2997 37.648  4.4972  39.382  4.8564 419.777 25.417 429.152 26.857 -9.375702      36.97737 
1 1 1 -8  14 7  o 427.415 26.518 39.051  4.7763 0.0000  0.0000  39.051  4.7763 ?       ?      427.415 26.518 0.000000       26.51841 
1 1 1 -8  14 8  o 481.971 25.950 49.592  5.2771 0.0000  0.0000  49.592  5.2771 ?       ?      481.971 25.950 0.000000       25.94974 
1 1 1 -8  14 9  o 199.496 18.199 8.5188  1.5206 8.0097  1.9952  9.2243  2.3488 192.419 25.081 206.309 27.573 -13.89052      37.27327 
1 1 1 -8  14 10 o 531.453 16.658 59.935  3.7490 64.039  5.1198  55.189  5.5051 548.907 22.025 508.595 25.642 40.31122       33.80196 
1 1 1 -8  14 11 o 957.395 17.897 194.574 7.2564 200.866 10.084  187.816 10.450 971.690 24.505 939.266 26.272 32.42322       35.92638 
1 1 1 -8  14 12 o 1094.30 18.449 254.255 8.5497 250.445 12.014  258.166 12.170 1084.57 26.157 1101.17 26.097 -16.60583      36.94867 
1 1 1 -8  14 13 f 398.896 14.246 33.750  2.4066 33.057  3.4272  34.425  3.3802 393.874 20.618 402.540 19.828 -8.666565      28.60567 
1 1 1 -8  14 14 o 436.000 12.163 40.306  2.2459 38.332  3.8483  41.325  2.7657 424.056 21.499 441.337 14.798 -17.28061      26.09969 
1 1 1 -8  14 15 o 421.147 15.402 37.643  2.7469 36.931  3.6934  38.525  4.1093 416.204 21.022 424.846 22.924 -8.642303      31.10419 
1 1 1 -8  14 16 f 797.291 16.853 135.008 5.6902 125.525 7.9667  144.885 8.1301 767.486 24.511 824.810 23.275 -57.32391      33.80149 
1 1 1 -8  14 17 o 668.598 13.968 94.868  3.9549 91.476  5.0087  100.485 6.4453 656.047 18.028 686.942 22.155 -30.89447      28.56337 
1 1 1 -8  14 18 o 839.216 26.439 150.413 9.3964 150.413 9.3964  0.0000  0.0000 839.216 26.439 ?       ?      0.000000       26.43906 
1 1 1 -8  14 19 o 977.229 25.916 203.957 10.725 203.957 10.725  0.0000  0.0000 977.229 25.916 ?       ?      0.000000       25.91617 
1 1 1 -8  14 20 o 512.005 21.152 55.851  4.5863 55.851  4.5863  0.0000  0.0000 512.005 21.152 ?       ?      0.000000       21.15168 
1 1 1 -8  14 21 o 354.183 20.903 26.838  3.1214 26.838  3.1214  0.0000  0.0000 354.183 20.903 ?       ?      0.000000       20.90295 
1 1 1 -8  14 22 o 117.029 19.114 2.9949  0.9146 2.8224  1.2169  3.2188  1.3864 112.505 26.055 120.044 27.816 -7.539337      38.11241 
1 1 1 -8  14 23 o 469.215 30.770 47.844  6.0804 0.0000  0.0000  47.844  6.0804 ?       ?      469.215 30.770 0.000000       30.77023 
1 1 1 -8  14 24 o 421.455 14.019 37.814  2.5021 36.194  3.7421  39.124  3.3649 410.264 21.614 427.828 18.572 -17.56393      28.49750 
1 1 1 -8  14 25 o 418.804 14.200 37.371  2.5186 36.408  3.8137  38.116  3.3541 411.033 21.989 421.982 18.769 -10.94913      28.90974 
1 1 1 -8  14 26 o 207.643 16.594 9.2779  1.4470 10.960  2.1099  7.7842  1.9882 224.392 22.507 187.892 25.657 36.50058       34.12934 
1 1 1 -8  14 27 o 308.767 15.942 20.472  2.0775 21.679  3.1574  19.550  2.7587 315.115 23.836 299.879 21.874 15.23627       32.35175 
1 1 1 -8  14 28 o 306.605 16.901 20.254  2.1860 19.782  3.2086  20.663  2.9862 299.733 25.521 307.424 23.106 -7.691589      34.42683 
1 1 1 -8  14 29 o 125.582 25.052 3.5732  1.2856 3.7142  1.7090  3.3895  1.9513 126.340 31.927 120.685 35.686 5.655312       47.88382 
1 1 1 -8  14 30 o 283.709 20.078 17.599  2.3967 16.886  3.1031  18.654  3.7732 274.392 27.057 285.629 31.729 -11.23685      41.69928 
1 1 1 -8  14 31 o 250.425 22.332 13.856  2.3435 15.187  2.8246  10.916  4.1983 260.411 25.958 206.588 48.770 53.82303       55.24800 
1 1 1 -8  15 1  o 406.063 19.937 35.018  3.4285 32.572  4.6402  37.960  5.0878 390.028 28.286 421.143 28.698 -31.11542      40.29448 
1 1 1 -8  15 2  o 702.683 20.145 104.880 5.9947 102.627 8.2101  107.452 8.7736 694.096 27.931 710.032 29.178 -15.93628      40.39158 
1 1 1 -8  15 3  o 1368.20 24.043 398.192 13.931 404.319 19.380  391.640 20.039 1375.83 33.263 1353.47 34.962 22.35889       48.25683 
1 1 1 -8  15 4  o 1726.69 26.902 634.970 19.672 637.182 27.468  632.640 28.186 1724.96 37.601 1718.22 38.735 6.748047       53.98399 
1 1 1 -8  15 5  o 1215.89 22.404 314.306 11.536 316.390 16.010  312.054 16.638 1217.67 31.047 1208.85 32.500 8.816284       44.94613 
1 1 1 -8  15 6  o 607.498 18.658 78.362  4.8001 74.072  6.6074  83.157  6.9851 589.810 26.453 624.941 26.393 -35.13068      37.36780 
1 1 1 -8  15 7  o 408.618 17.755 35.443  3.0724 33.125  4.1940  38.127  4.5136 393.732 25.286 422.518 25.342 -28.78531      35.79986 
1 1 1 -8  15 8  o 411.879 17.151 36.004  2.9916 35.369  3.9903  36.820  4.5206 407.180 23.237 415.123 25.842 -7.942566      34.75307 
1 1 1 -8  15 9  o 376.964 17.919 30.165  2.8606 0.0000  0.0000  30.165  2.8606 ?       ?      376.964 17.919 0.000000       17.91925 
1 1 1 -8  15 10 o 706.894 18.023 106.078 5.3953 0.0000  0.0000  106.078 5.3953 ?       ?      706.894 18.023 0.000000       18.02269 
1 1 1 -8  15 11 o 204.751 18.118 8.9695  1.5548 0.0000  0.0000  8.9695  1.5548 ?       ?      204.751 18.118 0.000000       18.11815 
1 1 1 -8  15 12 o 559.432 12.938 66.361  3.0653 73.091  5.1568  62.684  3.8118 586.474 20.763 543.469 16.562 43.00470       26.55940 
1 1 1 -8  15 13 o 270.755 15.253 15.604  1.7418 18.013  2.5993  13.640  2.3466 290.321 21.290 252.296 22.188 38.02522       30.75049 
1 1 1 -8  15 14 f 304.408 14.920 19.662  1.9233 19.271  2.9475  19.952  2.5382 300.012 23.383 305.780 19.706 -5.767578      30.57939 
1 1 1 -8  15 15 o 600.671 15.329 76.583  3.8994 82.462  5.6323  71.170  5.4039 622.601 21.361 578.312 22.065 44.28882       30.71104 
1 1 1 -8  15 16 o 834.053 24.361 148.270 8.6045 148.270 8.6045  0.0000  0.0000 834.053 24.361 ?       ?      0.000000       24.36075 
1 1 1 -8  15 17 o 301.462 15.002 19.295  1.9152 19.343  2.4518  19.220  3.0676 300.956 19.339 299.245 24.419 1.711029       31.14961 
1 1 1 -8  15 18 o 384.489 19.542 31.534  3.1715 41.195  4.9049  24.593  4.1575 438.346 26.548 337.729 29.361 100.6163       39.58307 
1 1 1 -8  15 19 o 654.170 17.559 90.982  4.8645 98.056  6.4154  81.414  7.4612 678.278 22.334 616.763 28.566 61.51508       36.26051 
1 1 1 -8  15 20 o 657.761 17.677 92.023  4.9240 0.0000  0.0000  92.023  4.9240 ?       ?      657.761 17.677 0.000000       17.67707 
1 1 1 -8  15 21 o 216.285 21.104 10.073  1.9084 0.0000  0.0000  10.073  1.9084 ?       ?      216.285 21.104 0.000000       21.10362 
1 1 1 -8  15 22 o 498.890 18.449 53.074  3.8977 0.0000  0.0000  53.074  3.8977 ?       ?      498.890 18.449 0.000000       18.44853 
1 1 1 -8  15 23 o 338.611 14.258 24.400  2.0446 23.707  2.9876  25.011  2.8042 332.070 21.358 341.545 19.468 -9.475372      28.89934 
1 1 1 -8  15 24 o 572.400 14.166 69.775  3.4340 72.168  5.2278  67.958  4.5544 580.057 21.282 563.593 19.082 16.46411       28.58371 
1 1 1 -8  15 25 o 485.968 14.376 50.340  2.9585 50.685  4.5315  50.084  3.9059 485.465 22.042 483.515 19.075 1.949280       29.14936 
1 1 1 -8  15 26 o 151.223 18.042 4.9698  1.1326 6.3728  1.5675  3.4369  1.6384 170.512 22.237 122.785 31.388 47.72775       38.46682 
1 1 1 -8  15 27 o 197.957 17.242 8.4755  1.4310 9.3527  2.0966  7.7106  1.9579 205.922 24.525 186.420 25.466 19.50172       35.35543 
1 1 1 -8  15 28 o 297.434 17.097 19.079  2.1445 17.569  3.2498  20.245  2.8541 281.277 27.639 304.511 22.287 -23.23477      35.50555 
1 1 1 -8  15 29 o 351.854 17.053 26.684  2.5410 25.885  3.7178  27.385  3.4809 341.799 25.876 353.011 23.417 -11.21170      34.89894 
1 1 1 -8  15 30 o 170.975 20.053 6.4453  1.4244 6.8115  1.9276  6.0048  2.1141 173.110 27.190 160.183 32.281 12.92746       42.20584 
1 1 1 -8  15 31 o 309.106 26.835 21.432  3.4780 21.432  3.4780  0.0000  0.0000 309.106 26.835 ?       ?      0.000000       26.83512 
1 1 1 -8  16 1  o 155.753 26.457 5.3052  1.6826 5.5874  2.2587  4.9533  2.5224 158.712 34.582 149.407 39.328 9.305374       52.36974 
1 1 1 -8  16 2  o 853.717 20.727 154.829 7.4936 157.730 10.378  151.669 10.832 860.440 28.481 843.402 30.326 17.03760       41.60317 
1 1 1 -8  16 3  o 834.570 20.392 147.953 7.2072 151.888 9.9977  143.696 10.399 844.411 27.958 820.971 29.911 23.43994       40.94284 
1 1 1 -8  16 4  o 1110.81 21.738 262.230 10.226 254.617 14.187  270.461 14.752 1092.59 30.662 1126.00 30.936 -33.40747      43.55687 
1 1 1 -8  16 5  o 559.992 18.693 66.583  4.4331 69.377  6.0881  63.429  6.4678 570.989 25.177 544.921 28.123 26.06781       37.74660 
1 1 1 -8  16 6  o 1097.25 21.086 255.821 9.7980 248.987 13.568  263.269 14.165 1080.67 29.646 1111.11 30.103 -30.44299      42.24990 
1 1 1 -8  16 7  o 159.658 22.277 5.5221  1.4652 4.1676  1.9619  7.2305  2.2032 137.000 33.980 181.869 29.626 -44.86856      45.08113 
1 1 1 -8  16 8  o 228.036 18.630 11.114  1.7834 9.9147  2.3777  12.656  2.6966 214.146 26.805 242.359 26.717 -28.21312      37.84569 
1 1 1 -8  16 9  o 673.951 14.262 96.330  4.0706 90.807  6.5379  99.827  5.2019 653.436 23.626 685.759 17.912 -32.32300      29.64871 
1 1 1 -8  16 10 o 488.406 13.559 50.584  2.8044 52.501  4.6447  49.485  3.5181 496.968 22.069 482.852 17.205 14.11594       27.98309 
1 1 1 -8  16 11 o 759.553 17.477 122.468 5.6217 0.0000  0.0000  122.468 5.6217 ?       ?      759.553 17.477 0.000000       17.47683 
1 1 1 -8  16 12 o 607.464 16.137 78.313  4.1513 0.0000  0.0000  78.313  4.1513 ?       ?      607.464 16.137 0.000000       16.13674 
1 1 1 -8  16 13 o 470.847 23.704 47.303  4.7114 0.0000  0.0000  47.303  4.7114 ?       ?      470.847 23.704 0.000000       23.70368 
1 1 1 -8  16 14 o 630.806 15.792 84.465  4.2188 0.0000  0.0000  84.465  4.2188 ?       ?      630.806 15.792 0.000000       15.79232 
1 1 1 -8  16 15 o 224.303 16.669 10.743  1.5721 0.0000  0.0000  10.743  1.5721 ?       ?      224.303 16.669 0.000000       16.66888 
1 1 1 -8  16 16 o 645.824 16.327 88.589  4.4654 0.0000  0.0000  88.589  4.4654 ?       ?      645.824 16.327 0.000000       16.32681 
1 1 1 -8  16 17 o 210.217 18.690 9.4709  1.6465 0.0000  0.0000  9.4709  1.6465 ?       ?      210.217 18.690 0.000000       18.68954 
1 1 1 -8  16 18 o 773.557 17.779 127.224 5.8241 0.0000  0.0000  127.224 5.8241 ?       ?      773.557 17.779 0.000000       17.77854 
1 1 1 -8  16 19 f 621.840 17.329 82.213  4.5635 0.0000  0.0000  82.213  4.5635 ?       ?      621.840 17.329 0.000000       17.32902 
1 1 1 -8  16 20 o 500.744 15.515 53.288  3.2902 58.075  6.9049  51.882  3.7423 518.871 31.574 493.796 17.896 25.07516       36.29261 
1 1 1 -8  16 21 o 99.753  20.882 2.2023  0.8539 1.3441  1.2624  2.9259  1.1592 83.506  29.090 114.774 24.589 -31.26838      38.09051 
1 1 1 -8  16 22 o 81.197  23.555 1.4420  0.8574 1.0926  1.1862  1.8244  1.2408 77.759  28.088 92.202  28.706 -14.44282      40.16225 
1 1 1 -8  16 23 o 440.613 13.834 41.314  2.5814 40.629  3.8538  41.871  3.4765 435.563 20.893 442.696 18.544 -7.133087      27.93514 
1 1 1 -8  16 24 o 385.189 13.980 31.600  2.2804 33.699  3.3670  29.821  3.0995 396.050 20.141 372.624 19.712 23.42599       28.18212 
1 1 1 -8  16 25 o 121.554 19.077 3.2404  0.9497 3.7944  1.2759  2.5523  1.4221 130.663 23.939 106.683 30.144 23.97981       38.49326 
1 1 1 -8  16 26 o 446.046 14.612 42.499  2.7601 41.731  4.1680  43.098  3.6834 438.842 22.503 447.686 19.428 -8.843201      29.72944 
1 1 1 -8  16 27 o 290.229 15.716 18.105  1.9244 15.827  2.8375  20.045  2.6188 268.105 25.290 303.894 20.468 -35.78860      32.53465 
1 1 1 -8  16 28 o 348.653 15.799 26.089  2.3327 25.317  3.5470  26.677  3.0966 339.314 24.857 350.196 20.977 -10.88257      32.52551 
1 1 1 -8  16 29 o 93.285  27.720 1.9700  1.1751 1.6970  1.5989  2.2908  1.7330 91.487  32.661 101.937 34.121 -10.45000      47.23303 
1 1 1 -8  16 30 o 343.281 20.918 25.833  3.0265 23.189  3.7413  30.839  5.1480 321.023 27.794 365.713 33.616 -44.69000      43.61823 
1 1 1 -8  17 1  o 844.027 20.717 151.323 7.4050 145.447 10.234  157.782 10.728 826.177 29.249 860.460 29.442 -34.28339      41.50103 
1 1 1 -8  17 2  o 1224.61 22.932 318.808 11.893 304.551 16.518  334.157 17.138 1194.50 32.653 1251.31 32.341 -56.80859      45.95819 
1 1 1 -8  17 3  o 1037.73 21.518 228.830 9.4565 235.776 13.120  221.318 13.642 1051.75 29.456 1018.48 31.630 33.26874       43.22165 
1 1 1 -8  17 4  o 149.417 25.904 4.8867  1.5797 4.5607  2.1511  5.2683  2.3273 143.271 35.609 153.911 36.295 -10.64087      50.84639 
1 1 1 -8  17 5  o 1281.04 22.710 348.873 12.320 352.609 17.169  344.905 17.691 1285.51 31.537 1270.96 32.867 14.53955       45.55035 
1 1 1 -8  17 6  o 1002.43 20.428 213.466 8.6720 220.894 12.034  205.443 12.507 1018.29 27.906 981.553 30.089 36.74054       41.03823 
1 1 1 -8  17 7  o 724.478 18.370 111.430 5.6360 111.750 7.6495  111.050 8.3355 724.719 24.924 722.105 27.258 2.614319       36.93499 
1 1 1 -8  17 8  o 621.798 14.492 82.004  3.8161 80.818  6.1318  82.753  4.8752 616.456 23.488 624.313 18.439 -7.856628      29.86108 
1 1 1 -8  17 9  o 378.984 14.058 30.461  2.2563 32.533  3.7389  29.275  2.8296 390.509 22.706 371.341 17.993 19.16803       28.97120 
1 1 1 -8  17 10 o 1006.01 15.521 214.722 6.6124 228.772 10.946  206.648 8.2975 1036.78 24.930 986.286 19.866 50.48944       31.87725 
1 1 1 -8  17 11 o 164.363 16.838 5.7940  1.1555 7.0077  2.1274  5.2861  1.3762 179.027 29.056 156.263 21.354 22.76355       36.05863 
1 1 1 -8  17 12 o 532.001 12.809 60.018  2.8857 61.706  4.8955  59.120  3.5723 538.707 21.459 527.785 15.983 10.92151       26.75677 
1 1 1 -8  17 13 o 443.178 15.880 41.690  2.9803 41.420  4.0797  41.998  4.3643 441.264 21.831 443.590 23.314 -2.325623      31.93993 
1 1 1 -8  17 14 o 342.768 12.960 24.921  1.8813 26.125  3.3675  24.376  2.2683 349.563 22.874 338.849 15.807 10.71384       27.80395 
1 1 1 -8  17 15 o 392.059 12.820 32.608  2.1286 32.517  3.7850  32.649  2.5743 390.049 23.016 392.143 15.501 -2.093536      27.74927 
1 1 1 -8  17 16 o 769.745 13.726 125.745 4.4743 122.649 7.7699  127.281 5.4728 758.406 24.192 774.012 16.696 -15.60522      29.39406 
1 1 1 -8  17 17 f 264.357 13.133 14.830  1.4703 13.030  2.2434  16.185  1.9466 246.389 21.722 275.477 16.765 -29.08842      27.43974 
1 1 1 -8  17 18 o 802.546 12.811 136.678 4.3542 142.779 6.2698  130.994 6.0516 819.384 18.069 784.813 18.208 34.57080       25.65152 
1 1 1 -8  17 19 o 684.843 13.926 99.584  4.0388 100.122 6.7601  99.285  5.0364 684.998 23.303 683.287 17.405 1.711609       29.08582 
1 1 1 -8  17 20 o 378.908 12.625 30.479  2.0259 29.727  2.9331  31.165  2.8015 373.647 18.536 382.715 17.285 -9.067657      25.34507 
1 1 1 -8  17 21 o 349.411 13.868 25.950  2.0521 19.901  3.1762  30.284  2.6886 303.734 24.912 377.129 16.834 -73.39542      30.06630 
1 1 1 -8  17 22 f 134.133 18.543 3.9116  1.0251 6.4827  1.4570  1.3907  1.4427 172.988 20.273 86.548  31.011 86.43967       37.04954 
1 1 1 -8  17 23 o 209.300 15.872 9.3927  1.3964 10.415  1.9765  8.3738  1.9730 219.367 21.554 195.849 24.312 23.51825       32.49014 
1 1 1 -8  17 24 o 283.436 14.555 17.167  1.7411 22.638  2.4930  11.957  2.4328 324.810 18.197 234.138 24.918 90.67256       30.85521 
1 1 1 -8  17 25 o 296.520 14.635 18.760  1.8377 20.802  2.6546  16.881  2.5467 310.521 20.298 279.209 21.709 31.31155       29.71993 
1 1 1 -8  17 26 f 177.957 17.262 6.8548  1.2845 7.2700  1.8262  6.4483  1.8072 181.439 24.385 170.258 25.879 11.18137       35.55734 
1 1 1 -8  17 27 o 131.659 20.596 3.8336  1.1107 3.3995  1.5435  4.2997  1.5996 121.598 30.128 137.373 28.433 -15.77537      41.42639 
1 1 1 -8  17 28 o 361.594 15.546 28.065  2.3806 30.118  3.5795  26.438  3.1878 371.019 22.894 348.092 21.733 22.92676       31.56665 
1 1 1 -8  17 29 o 198.378 18.503 8.5952  1.5365 8.5158  2.2481  8.6647  2.1049 193.672 28.240 196.385 25.944 -2.712830      38.34842 
1 1 1 -8  17 30 o 374.019 25.412 31.164  4.0013 31.164  4.0013  0.0000  0.0000 374.019 25.412 ?       ?      0.000000       25.41228 
1 1 1 -8  18 1  o 491.741 27.120 51.642  5.6258 51.642  5.6258  0.0000  0.0000 491.741 27.120 ?       ?      0.000000       27.11987 
1 1 1 -8  18 2  o 519.688 19.436 57.352  4.2775 60.242  5.9091  54.170  6.2000 531.994 26.228 503.329 29.213 28.66467       39.25940 
1 1 1 -8  18 3  o 985.472 20.998 206.331 8.7632 208.243 12.180  204.279 12.618 988.501 29.095 978.748 30.442 9.753601       42.10995 
1 1 1 -8  18 4  o 701.060 19.223 104.366 5.7072 100.142 7.8735  109.042 8.2846 685.767 27.111 715.557 27.339 -29.78967      38.50243 
1 1 1 -8  18 5  o 866.925 19.716 159.620 7.2384 153.983 9.9946  165.839 10.497 850.221 27.758 882.281 28.095 -32.06042      39.49464 
1 1 1 -8  18 6  o 541.258 17.981 62.191  4.1215 55.844  5.6200  69.575  6.0624 511.535 26.029 571.810 25.035 -60.27493      36.11447 
1 1 1 -8  18 7  o 550.665 17.502 64.365  4.0814 65.312  5.4914  63.197  6.1006 554.167 23.399 544.792 26.442 9.374817       35.30871 
1 1 1 -8  18 8  o 311.026 17.302 20.597  2.2700 21.333  2.9812  19.581  3.5018 315.975 22.424 301.910 27.698 14.06516       35.63721 
1 1 1 -8  18 9  o 699.705 14.403 103.846 4.2678 103.955 6.9612  103.781 5.4022 699.069 23.514 699.120 18.246 -0.5102539E-01 29.76262 
1 1 1 -8  18 10 o 606.177 13.603 77.930  3.4919 82.039  5.7462  75.525  4.3969 621.168 21.844 596.445 17.407 24.72302       27.93154 
1 1 1 -8  18 11 o 616.502 13.404 80.609  3.4995 88.246  5.8560  76.367  4.3646 644.230 21.464 599.747 17.184 44.48279       27.49562 
1 1 1 -8  18 12 o 500.849 12.743 53.199  2.7028 55.038  4.5977  52.227  3.3411 508.727 21.341 496.040 15.905 12.68625       26.61560 
1 1 1 -8  18 13 o 493.712 12.802 51.700  2.6768 53.846  4.6078  50.607  3.2886 503.073 21.628 488.244 15.905 14.82907       26.84652 
1 1 1 -8  18 14 o 295.152 13.593 18.484  1.6991 20.987  3.1169  17.425  2.0267 312.977 23.692 285.934 16.811 27.04276       29.05008 
1 1 1 -8  18 15 o 1370.51 17.812 399.206 10.338 413.496 12.803  372.427 17.526 1393.57 21.694 1318.59 31.386 74.98059       38.15330 
1 1 1 -8  18 16 o 549.358 13.146 64.042  3.0585 69.159  5.3737  61.590  3.7198 569.736 22.272 538.424 16.313 31.31158       27.60734 
1 1 1 -8  18 17 o 224.621 16.844 10.783  1.5906 14.479  3.5226  9.8363  1.7827 257.641 33.047 214.069 19.892 43.57181       38.57211 
1 1 1 -8  18 18 o 1010.27 13.650 216.669 5.8402 234.020 8.3497  200.050 8.1716 1048.75 18.800 969.365 19.906 79.38354       27.38022 
1 1 1 -8  18 19 o 60.838  22.184 0.6400  0.7424 -1.3444 1.3928  1.4276  0.8775 53.353  24.922 81.134  23.913 -27.78053      34.53946 
1 1 1 -8  18 20 o 432.649 12.357 39.742  2.2640 38.065  3.3054  41.224  3.1074 422.723 18.464 440.159 16.670 -17.43686      24.87616 
1 1 1 -8  18 21 o 287.247 18.931 17.679  2.2900 0.0000  0.0000  17.679  2.2900 ?       ?      287.247 18.931 0.000000       18.93087 
1 1 1 -8  18 22 o 547.975 13.788 63.887  3.1998 63.288  4.9692  64.310  4.1822 543.526 21.588 548.870 17.993 -5.343628      28.10329 
1 1 1 -8  18 23 o 374.758 13.869 29.904  2.2011 28.737  3.2445  30.900  2.9960 365.465 21.052 380.101 18.612 -14.63596      28.10015 
1 1 1 -8  18 24 o 314.875 14.209 21.132  1.8947 20.761  2.7565  21.463  2.6087 310.197 21.109 315.827 19.601 -5.629211      28.80606 
1 1 1 -8  18 25 o 505.429 14.264 54.511  3.0531 57.324  4.6113  52.315  4.0740 515.958 21.104 493.502 19.493 22.45609       28.72927 
1 1 1 -8  18 26 o 370.804 14.509 29.402  2.2784 31.423  3.3923  27.741  3.0754 380.708 21.123 357.934 20.373 22.77371       29.34694 
1 1 1 -8  18 27 o 430.031 14.861 39.615  2.7063 40.962  4.0899  38.565  3.6096 433.608 22.348 422.243 20.186 11.36481       30.11544 
1 1 1 -8  18 28 o 376.242 18.955 30.691  3.0105 32.064  3.7377  28.155  5.0795 382.396 23.190 350.938 34.630 31.45810       41.67745 
1 1 1 -8  18 29 o 320.018 24.414 22.718  3.2838 22.718  3.2838  0.0000  0.0000 320.018 24.414 ?       ?      0.000000       24.41418 
1 1 1 -8  18 30 o 184.630 24.529 7.6577  1.8704 6.8244  2.1448  10.304  3.8218 171.450 30.666 202.151 45.714 -30.70076      55.04682 
1 1 1 -8  19 1  o 156.880 26.336 5.3804  1.6877 7.6292  2.3489  2.9807  2.4264 186.720 30.778 121.175 40.371 65.54436       50.76477 
1 1 1 -8  19 2  o 416.548 26.770 37.097  4.6974 37.097  4.6974  0.0000  0.0000 416.548 26.770 ?       ?      0.000000       26.77031 
1 1 1 -8  19 3  o 611.429 19.047 79.387  4.9319 77.854  6.7978  81.090  7.1663 604.685 26.546 617.008 27.426 -12.32294      38.16867 
1 1 1 -8  19 4  f 230.686 20.292 11.392  1.9622 12.528  2.7231  10.165  2.8299 241.032 27.151 215.962 31.902 25.06979       41.89135 
1 1 1 -8  19 5  o 407.629 18.826 35.284  3.2498 38.948  4.6056  31.651  4.5863 427.004 25.587 384.353 28.377 42.65073       38.20923 
1 1 1 -8  19 6  o 337.743 17.955 24.285  2.5588 24.185  3.4736  24.403  3.7838 336.256 24.563 337.472 26.694 -1.215546      36.27504 
1 1 1 -8  19 7  o 133.593 22.063 3.8937  1.2046 2.2070  1.8182  5.2133  1.6083 104.615 34.949 154.495 25.468 -49.88024      43.24450 
1 1 1 -8  19 8  o 259.286 15.141 14.312  1.6554 11.823  2.4808  16.309  2.2225 234.304 25.409 276.448 19.101 -42.14458      31.78798 
1 1 1 -8  19 9  o 501.038 16.896 53.289  3.5851 52.660  4.8203  54.067  5.3634 497.559 22.876 503.922 25.133 -6.363373      33.98470 
1 1 1 -8  19 10 o 507.995 13.732 54.736  2.9543 53.261  4.8232  55.622  3.7374 500.356 22.762 511.837 17.242 -11.48059      28.55528 
1 1 1 -8  19 11 o 502.435 13.329 53.544  2.8362 53.575  4.6898  53.526  3.5612 501.842 22.067 502.106 16.748 -0.2637634     27.70257 
1 1 1 -8  19 12 o 432.482 12.746 39.670  2.3345 40.151  3.9671  39.415  2.8874 434.432 21.563 430.899 15.823 3.532532       26.74558 
1 1 1 -8  19 13 o 842.229 14.017 150.521 4.9996 147.461 8.4987  152.141 6.1826 831.891 24.124 846.284 17.251 -14.39258      29.65704 
1 1 1 -8  19 14 o 535.841 12.979 60.916  2.9452 63.503  5.1859  59.685  3.5783 546.045 22.426 530.135 15.938 15.91010       27.51282 
1 1 1 -8  19 15 o 313.063 15.108 20.811  2.0031 20.775  2.5096  20.874  3.3249 311.957 19.088 311.729 25.407 0.2277527      31.77817 
1 1 1 -8  19 16 o 160.347 19.752 5.5533  1.3129 4.7976  1.6530  6.8443  2.1607 147.489 27.476 176.390 29.999 -28.90088      40.68048 
1 1 1 -8  19 17 o 452.064 12.281 43.361  2.3511 40.184  3.5041  45.962  3.1707 434.571 19.040 465.088 16.098 -30.51727      24.93342 
1 1 1 -8  19 18 o 746.398 12.607 118.234 3.9850 116.570 5.7390  119.783 5.5377 740.197 18.308 750.497 17.424 -10.29968      25.27386 
1 1 1 -8  19 19 o 253.037 13.885 13.640  1.4822 13.787  2.2000  13.518  2.0057 253.472 20.675 251.240 18.991 2.232300       28.07345 
1 1 1 -8  19 20 o 402.195 12.437 34.354  2.1183 33.720  3.0979  34.910  2.9031 397.771 18.390 404.930 16.929 -7.159332      24.99594 
1 1 1 -8  19 21 o 305.201 14.042 19.813  1.8149 18.176  2.8492  20.931  2.3545 290.263 23.376 312.758 17.850 -22.49527      29.41238 
1 1 1 -8  19 22 o 271.292 14.341 15.714  1.6418 16.457  2.4689  15.124  2.1982 276.320 21.262 265.167 19.716 11.15286       28.99607 
1 1 1 -8  19 23 o 446.747 14.027 42.515  2.6538 39.636  3.9847  44.809  3.5575 428.951 22.010 457.671 18.355 -28.71985      28.65861 
1 1 1 -8  19 24 f 421.612 14.003 37.892  2.5001 40.261  3.7181  35.937  3.3778 433.009 20.276 409.313 19.487 23.69592       28.12177 
1 1 1 -8  19 25 f 172.044 16.401 6.3922  1.1805 5.6765  1.6554  7.1327  1.6839 159.846 25.297 180.353 22.539 -20.50677      33.88104 
1 1 1 -8  19 26 o 163.464 17.685 5.8099  1.2047 6.4923  1.6669  5.0636  1.7432 171.268 23.609 149.382 28.596 21.88506       37.08307 
1 1 1 -8  19 27 o 253.094 18.734 13.895  1.9937 13.904  2.4335  13.878  3.4768 251.633 23.093 246.329 34.257 5.304001       41.31360 
1 1 1 -8  19 28 o 232.830 24.721 12.043  2.4002 12.043  2.4002  0.0000  0.0000 232.830 24.721 ?       ?      0.000000       24.72059 
1 1 1 -8  19 29 o 330.300 18.776 23.773  2.6155 22.790  3.3499  25.307  4.1858 319.977 24.918 333.762 29.932 -13.78494      38.94687 
1 1 1 -8  19 30 o 179.275 28.116 7.3562  2.0644 0.0000  0.0000  7.3562  2.0644 ?       ?      179.275 28.116 0.000000       28.11557 
1 1 1 -8  20 1  o 581.035 28.343 71.958  6.9742 0.0000  0.0000  71.958  6.9742 ?       ?      581.035 28.343 0.000000       28.34296 
1 1 1 -8  20 2  o 645.657 19.427 88.544  5.3120 83.746  7.3240  93.868  7.7158 626.941 27.585 663.769 27.449 -36.82739      38.91499 
1 1 1 -8  20 3  o 530.414 26.014 59.903  5.8433 59.903  5.8433  0.0000  0.0000 530.414 26.014 ?       ?      0.000000       26.01357 
1 1 1 -8  20 4  o 689.606 18.913 100.994 5.5234 94.302  7.6096  108.445 8.0298 665.352 27.006 713.573 26.572 -48.22144      37.88680 
1 1 1 -8  20 5  o 457.434 18.293 44.430  3.5437 44.523  4.9406  44.333  5.0855 456.585 25.656 455.482 26.479 1.102966       36.86915 
1 1 1 -8  20 6  o 610.675 17.834 79.178  4.6121 71.205  6.1999  89.056  6.9014 578.327 25.315 646.786 25.196 -68.45905      35.71653 
1 1 1 -8  20 7  o 607.052 14.538 78.173  3.7374 69.343  5.9701  83.864  4.7926 570.758 24.699 628.452 18.008 -57.69415      30.56697 
1 1 1 -8  20 8  o 601.199 14.446 76.676  3.6781 82.130  6.0213  73.429  4.6455 621.346 22.883 587.969 18.657 33.37677       29.52452 
1 1 1 -8  20 9  o 463.254 14.224 45.526  2.7906 47.245  4.5484  44.488  3.5339 471.237 22.792 457.670 18.233 13.56650       29.18729 
1 1 1 -8  20 10 o 657.993 17.228 91.938  4.8005 95.647  6.4064  87.187  7.2494 670.455 22.563 639.485 26.769 30.97028       35.00958 
1 1 1 -8  20 11 f 1080.70 15.682 247.917 7.1769 240.268 12.027  252.147 8.9440 1061.38 26.756 1089.17 19.391 -27.78833      33.04409 
1 1 1 -8  20 12 o 664.784 13.519 93.763  3.8060 90.972  6.4159  95.278  4.7276 653.572 23.181 669.792 16.667 -16.22009      28.55042 
1 1 1 -8  20 13 o 440.839 13.204 41.233  2.4652 39.665  4.2265  42.041  3.0349 430.860 23.249 444.922 16.107 -14.06238      28.28351 
1 1 1 -8  20 14 f 918.333 14.416 179.024 5.6065 171.549 9.7400  182.728 6.8562 896.511 25.654 927.239 17.460 -30.72778      31.03220 
1 1 1 -8  20 15 o 956.687 15.270 194.381 6.1865 190.207 7.6900  202.039 10.416 945.537 19.205 972.822 25.282 -27.28516      31.74856 
1 1 1 -8  20 16 o 483.746 11.825 49.643  2.4226 46.168  3.5883  52.554  3.2839 465.913 18.186 497.383 15.591 -31.47000      23.95417 
1 1 1 -8  20 17 o 699.458 12.271 103.812 3.6350 98.896  5.3118  108.142 4.9850 681.803 18.396 713.291 16.503 -31.48828      24.71377 
1 1 1 -8  20 18 o 504.562 12.339 54.031  2.6366 58.511  3.8939  50.238  3.5828 524.449 17.532 485.979 17.409 38.47015       24.70715 
1 1 1 -8  20 19 o 648.759 12.477 89.364  3.4279 95.663  4.9555  83.585  4.7468 670.359 17.455 626.531 17.890 43.82788       24.99504 
1 1 1 -8  20 20 o 269.108 13.877 15.437  1.5761 17.811  2.3328  13.442  2.1379 288.290 19.217 250.067 20.365 38.22363       28.00039 
1 1 1 -8  20 21 o 218.982 19.639 10.331  1.8019 11.775  4.9473  10.110  1.9348 224.045 52.975 216.260 21.407 7.784332       57.13719 
1 1 1 -8  20 22 o 258.016 14.511 14.225  1.5792 16.942  2.4051  12.167  2.0938 280.481 20.387 237.308 21.053 43.17293       29.30618 
1 1 1 -8  20 23 o 426.721 13.762 38.791  2.4870 38.717  3.7602  38.849  3.3158 424.637 20.910 426.032 18.378 -1.394714      27.83830 
1 1 1 -8  20 24 o 295.754 15.046 18.722  1.8782 15.811  2.7370  21.312  2.5822 269.363 24.254 314.500 19.484 -45.13678      31.11038 
1 1 1 -8  20 25 o 105.535 23.243 2.5051  1.0107 2.8356  1.3906  2.1349  1.4716 111.591 29.117 98.708  31.337 12.88309       42.77609 
1 1 1 -8  20 26 o 154.311 21.241 5.2502  1.3513 6.0626  1.6762  3.7422  2.2838 164.933 24.763 127.055 38.844 37.87782       46.06563 
1 1 1 -8  20 27 f 338.319 22.284 25.023  3.1748 25.023  3.1748  0.0000  0.0000 338.319 22.284 ?       ?      0.000000       22.28363 
1 1 1 -8  20 28 o 209.669 19.361 9.6205  1.6997 11.294  2.0519  5.9626  3.0340 226.417 21.664 155.158 44.095 71.25948       49.12934 
1 1 1 -8  20 29 o 272.055 22.855 16.395  2.6087 0.0000  0.0000  16.395  2.6087 ?       ?      272.055 22.855 0.000000       22.85456 
1 1 1 -8  21 1  o 442.799 19.404 41.653  3.6387 40.514  5.0266  42.907  5.2741 435.152 27.417 447.777 27.952 -12.62485      39.15377 
1 1 1 -8  21 2  o 268.057 30.760 15.535  3.4286 0.0000  0.0000  15.535  3.4286 ?       ?      268.057 30.760 0.000000       30.76010 
1 1 1 -8  21 3  f 420.344 18.871 37.528  3.3593 38.528  4.6808  36.466  4.8240 424.515 26.164 412.702 27.762 11.81308       38.14844 
1 1 1 -8  21 4  o 339.913 27.333 24.780  3.9013 24.780  3.9013  0.0000  0.0000 339.913 27.333 ?       ?      0.000000       27.33284 
1 1 1 -8  21 5  f 614.716 25.249 80.463  6.5729 80.463  6.5729  0.0000  0.0000 614.716 25.249 ?       ?      0.000000       25.24869 
1 1 1 -8  21 6  o 413.616 14.918 36.297  2.6131 32.893  4.0964  38.633  3.3932 392.290 24.785 426.467 18.788 -34.17780      31.10140 
1 1 1 -8  21 7  o 583.112 14.534 72.136  3.5891 69.975  5.6729  73.579  4.6345 573.436 23.360 588.554 18.594 -15.11725      29.85687 
1 1 1 -8  21 8  o 1322.41 17.948 371.414 10.051 392.923 16.818  359.463 12.537 1356.76 29.271 1299.76 22.776 57.00000       37.08817 
1 1 1 -8  21 9  o 774.546 14.541 127.293 4.7696 122.366 7.7721  130.270 6.0409 758.024 24.211 783.090 18.216 -25.06622      30.29822 
1 1 1 -8  21 10 o 318.117 14.613 21.475  1.9686 22.738  3.2382  20.735  2.4795 325.919 23.621 311.795 18.867 14.12393       30.23099 
1 1 1 -8  21 11 o 408.703 16.610 35.475  2.8749 33.584  3.9034  37.717  4.2501 396.409 23.355 420.068 23.991 -23.65845      33.48170 
1 1 1 -8  21 12 o 160.145 22.647 5.5688  1.4931 6.7554  2.2255  4.5976  2.0134 175.105 31.153 143.591 33.690 31.51315       45.88624 
1 1 1 -8  21 13 o 563.180 13.265 67.303  3.1636 70.768  5.5025  65.592  3.8666 576.342 22.544 555.659 16.431 20.68329       27.89697 
1 1 1 -8  21 14 o 631.073 11.975 84.483  3.2002 83.226  4.7828  85.502  4.3063 625.633 18.052 634.409 16.028 -8.776550      24.14069 
1 1 1 -8  21 15 o 403.996 17.061 34.694  2.9190 35.142  4.1291  34.246  4.1270 405.102 24.179 399.827 24.492 5.275208       34.41581 
1 1 1 -8  21 16 o 755.389 12.218 121.074 3.9087 108.314 5.6909  132.468 5.3778 713.467 18.835 789.540 16.084 -76.07281      24.76784 
1 1 1 -8  21 17 o 485.831 12.101 50.086  2.4896 47.470  3.6879  52.276  3.3746 472.309 18.438 495.934 16.068 -23.62479      24.45671 
1 1 1 -8  21 18 o 144.144 19.650 4.5075  1.1683 6.5217  2.0120  3.4829  1.4350 172.149 28.602 125.064 27.813 47.08572       39.89484 
1 1 1 -8  21 19 o 161.335 17.046 5.6031  1.1470 4.3237  1.7454  6.5756  1.5218 139.040 30.482 174.249 21.049 -35.20854      37.04330 
1 1 1 -8  21 20 o 350.197 15.199 26.105  2.2541 23.131  2.8002  31.579  3.7991 328.377 20.234 383.073 23.532 -54.69601      31.03536 
1 1 1 -8  21 21 o 384.713 13.139 31.484  2.1407 34.351  3.1696  29.079  2.9027 400.916 18.668 368.408 18.666 32.50781       26.39931 
1 1 1 -8  21 22 o 505.464 13.847 54.415  2.9642 52.693  4.6577  55.587  3.8428 495.153 22.212 509.917 17.795 -14.76392      28.46114 
1 1 1 -8  21 23 o 303.591 14.331 19.652  1.8425 15.916  2.7287  22.782  2.4979 270.516 24.070 325.707 18.182 -55.19070      30.16582 
1 1 1 -8  21 24 o 295.150 17.417 18.728  2.1673 16.607  2.6492  23.022  3.7689 276.345 22.841 323.792 27.754 -47.44690      35.94474 
1 1 1 -8  21 25 o 106.565 25.102 2.5727  1.1142 2.4345  1.3697  2.8428  1.9153 103.678 29.685 112.663 35.749 -8.984367      46.46647 
1 1 1 -8  21 26 o 217.641 18.715 10.292  1.7082 9.5713  2.1138  11.647  2.8999 207.960 24.470 226.929 30.985 -18.96881      39.48194 
1 1 1 -8  21 27 o 265.608 17.998 15.297  2.0125 12.975  2.5079  19.496  3.3730 241.943 24.828 295.776 27.234 -53.83330      36.85312 
1 1 1 -8  21 28 f 87.232  31.109 1.5467  1.4501 0.0000  0.0000  1.5467  1.4501 ?       ?      87.232  31.109 0.000000       31.10853 
1 1 1 -8  21 29 o 272.919 24.015 16.590  2.7474 0.0000  0.0000  16.590  2.7474 ?       ?      272.919 24.015 0.000000       24.01533 
1 1 1 -8  22 1  o 674.899 27.110 97.104  7.7483 97.104  7.7483  0.0000  0.0000 674.899 27.110 ?       ?      0.000000       27.10974 
1 1 1 -8  22 2  o 584.781 19.088 72.653  4.7271 67.235  6.5196  78.658  6.8639 561.557 27.415 607.504 26.680 -45.94653      38.25396 
1 1 1 -8  22 3  o 544.427 26.934 63.179  6.2100 0.0000  0.0000  63.179  6.2100 ?       ?      544.427 26.934 0.000000       26.93435 
1 1 1 -8  22 4  o 267.709 28.642 15.460  3.1968 0.0000  0.0000  15.460  3.1968 ?       ?      267.709 28.642 0.000000       28.64151 
1 1 1 -8  22 5  o 345.786 20.206 25.500  2.9460 28.785  3.9186  21.230  4.4678 366.742 25.386 313.129 34.250 53.61380       42.63295 
1 1 1 -8  22 6  o 634.555 18.170 85.529  4.8828 87.219  6.4202  83.210  7.5203 640.094 23.684 624.481 28.436 15.61298       37.00771 
1 1 1 -8  22 7  o 525.236 17.163 58.582  3.8177 53.981  5.0150  64.923  5.8874 503.559 23.517 552.023 25.184 -48.46393      34.45671 
1 1 1 -8  22 8  o 529.737 14.214 59.541  3.1888 62.687  5.2366  57.687  4.0201 542.689 22.785 521.085 18.217 21.60364       29.17249 
1 1 1 -8  22 9  o 390.106 14.471 32.295  2.3907 31.174  3.8885  32.976  3.0314 381.780 24.176 393.948 18.170 -12.16821      30.24251 
1 1 1 -8  22 10 o 872.118 14.896 161.444 5.5014 164.272 9.1306  159.832 6.8932 877.893 24.559 867.133 18.771 10.76031       30.91126 
1 1 1 -8  22 11 o 356.232 13.910 26.931  2.0984 31.280  3.5491  24.593  2.6019 382.660 21.993 339.674 18.154 42.98541       28.51772 
1 1 1 -8  22 12 o 252.749 18.428 13.654  1.9589 15.746  2.8296  11.728  2.7145 270.552 24.978 232.585 28.131 37.96667       37.61983 
1 1 1 -8  22 13 o 556.510 16.817 65.815  3.9633 65.569  5.4451  66.092  5.7798 554.572 23.185 556.554 24.522 -1.981995      33.74734 
1 1 1 -8  22 14 o 466.710 14.726 46.255  2.9105 46.485  3.6568  45.858  4.8076 467.481 18.471 462.866 24.614 4.615540       30.77415 
1 1 1 -8  22 15 o 661.708 16.774 93.074  4.7005 91.078  6.6306  95.090  6.6645 653.262 23.967 667.579 23.573 -14.31671      33.61739 
1 1 1 -8  22 16 o 327.457 12.737 22.758  1.7662 17.598  2.5682  27.390  2.4330 286.571 21.314 358.993 16.003 -72.42282      26.65323 
1 1 1 -8  22 17 o 320.229 12.905 21.770  1.7501 18.974  2.6797  23.850  2.3111 297.529 21.410 334.919 16.294 -37.39032      26.90523 
1 1 1 -8  22 18 o 228.194 15.087 11.119  1.4497 12.407  2.2763  10.240  1.8804 239.916 22.673 218.135 20.599 21.78120       30.63325 
1 1 1 -8  22 19 o 250.151 14.278 13.350  1.5062 11.282  2.1841  15.226  2.0800 228.461 22.882 266.549 18.542 -38.08784      29.45162 
1 1 1 -8  22 20 o 477.451 14.990 48.540  3.0310 46.324  3.7276  52.864  5.2070 465.661 18.903 495.246 24.906 -29.58487      31.26718 
1 1 1 -8  22 21 o 589.171 12.737 73.844  3.1781 66.019  4.6242  80.848  4.3751 555.307 19.663 615.432 16.787 -60.12469      25.85421 
1 1 1 -8  22 22 o 128.150 22.781 3.6361  1.1910 2.5607  1.5586  5.1456  1.8466 107.361 31.928 151.268 29.885 -43.90755      43.73256 
1 1 1 -8  22 23 o 188.803 19.054 7.7209  1.5027 9.3591  1.9531  5.3444  2.3523 207.176 22.628 152.299 36.867 54.87772       43.25792 
1 1 1 -8  22 24 o 402.419 21.585 35.071  3.6651 35.071  3.6651  0.0000  0.0000 402.419 21.585 ?       ?      0.000000       21.58525 
1 1 1 -8  22 25 o 463.861 16.629 46.212  3.2666 49.742  4.3478  41.637  4.9498 479.022 21.432 434.557 27.031 44.46524       34.49628 
1 1 1 -8  22 26 o 132.762 26.208 3.9987  1.4212 4.2922  1.8319  3.5552  2.2523 135.879 32.309 123.891 38.692 11.98734       50.40785 
1 1 1 -8  22 27 o 355.668 20.101 27.571  3.0152 0.0000  0.0000  27.571  3.0152 ?       ?      355.668 20.101 0.000000       20.10051 
1 1 1 -8  22 28 o 135.463 30.726 4.3073  1.7221 0.0000  0.0000  4.3073  1.7221 ?       ?      135.463 30.726 0.000000       30.72568 
1 1 1 -8  22 29 o 117.565 22.341 3.1326  1.0717 2.8670  1.3832  3.5313  1.6950 110.666 29.120 121.951 32.305 -11.28577      43.49221 
1 1 1 -8  23 1  f 250.660 30.234 13.614  3.1446 13.614  3.1446  0.0000  0.0000 250.660 30.234 ?       ?      0.000000       30.23434 
1 1 1 -8  23 2  o 632.615 19.128 85.046  5.1246 88.627  7.0861  81.120  7.4201 644.822 25.949 616.505 28.420 28.31702       38.48477 
1 1 1 -8  23 3  o 286.036 21.087 17.493  2.5363 19.541  3.7014  15.681  3.4825 301.111 29.401 269.110 31.132 32.00146       42.82106 
1 1 1 -8  23 4  o 1817.93 39.166 710.392 30.153 0.0000  0.0000  710.392 30.153 ?       ?      1817.93 39.166 0.000000       39.16610 
1 1 1 -8  23 5  o 238.947 23.847 12.277  2.3809 0.0000  0.0000  12.277  2.3809 ?       ?      238.947 23.847 0.000000       23.84689 
1 1 1 -8  23 6  o 463.324 18.106 45.607  3.5527 46.214  4.5973  44.707  5.5975 465.301 23.406 456.628 29.097 8.673035       37.34269 
1 1 1 -8  23 7  f 301.252 19.818 19.378  2.5142 19.241  3.3718  19.550  3.7731 299.128 26.905 300.989 30.000 -1.860931      40.29768 
1 1 1 -8  23 8  o 290.201 20.701 18.005  2.5275 15.033  3.2958  22.248  3.9382 263.508 30.072 321.366 29.257 -57.85828      41.95638 
1 1 1 -8  23 9  o 365.184 18.095 28.342  2.7984 30.212  3.7089  25.871  4.2640 375.859 23.417 346.665 29.320 29.19376       37.52354 
1 1 1 -8  23 10 o 754.204 14.174 120.730 4.5270 119.909 7.4333  121.214 5.7076 750.114 23.400 755.194 17.847 -5.079346      29.42872 
1 1 1 -8  23 11 o 367.744 14.100 28.705  2.1958 31.685  3.6913  27.073  2.7317 384.952 22.743 356.393 18.160 28.55807       29.10396 
1 1 1 -8  23 12 o 799.872 14.019 135.815 4.7488 133.413 8.0328  137.105 5.8878 790.855 23.984 803.133 17.311 -12.27814      29.57904 
1 1 1 -8  23 13 o 316.811 14.584 21.313  1.9567 19.387  3.5121  22.180  2.3563 299.751 27.991 322.545 17.314 -22.79443      32.91283 
1 1 1 -8  23 14 o 434.935 12.359 40.140  2.2764 39.518  3.4304  40.630  3.0429 430.955 18.796 437.225 16.434 -6.269592      24.96726 
1 1 1 -8  23 15 o 239.144 21.928 12.293  2.1961 17.428  3.1378  7.3632  3.0746 284.297 26.362 180.846 41.081 103.4512       48.81166 
1 1 1 -8  23 16 o 442.310 14.843 41.565  2.7804 39.343  3.5034  45.345  4.5698 429.836 19.246 460.234 23.525 -30.39795      30.39466 
1 1 1 -8  23 17 o 138.170 31.946 4.2729  1.8320 4.3089  2.9373  4.2500  2.3437 140.738 44.223 137.934 38.600 2.804031       58.70004 
1 1 1 -8  23 18 o 726.030 14.687 112.093 4.5158 110.593 5.6932  114.638 7.4154 720.211 18.666 731.647 23.932 -11.43567      30.35097 
1 1 1 -8  23 19 o 559.423 23.167 67.097  5.4885 67.097  5.4885  0.0000  0.0000 559.423 23.167 ?       ?      0.000000       23.16699 
1 1 1 -8  23 20 o 504.889 18.618 54.483  3.9808 54.483  3.9808  0.0000  0.0000 504.889 18.618 ?       ?      0.000000       18.61781 
1 1 1 -8  23 21 o 225.133 23.360 11.023  2.1948 11.023  2.1948  0.0000  0.0000 225.133 23.360 ?       ?      0.000000       23.36003 
1 1 1 -8  23 22 o 467.000 22.585 46.981  4.4667 46.981  4.4667  0.0000  0.0000 467.000 22.585 ?       ?      0.000000       22.58532 
1 1 1 -8  23 23 o 75.825  28.738 0.9273  1.2688 0.9201  1.5037  0.9453  2.3646 79.722  31.007 93.556  38.051 -13.83369      49.08475 
1 1 1 -8  23 24 o 332.259 18.036 23.801  2.5283 20.051  3.3166  29.004  3.9066 301.846 26.206 363.747 25.522 -61.90036      36.58025 
1 1 1 -8  23 25 o 327.805 19.854 23.323  2.7431 0.0000  0.0000  23.323  2.7431 ?       ?      327.805 19.854 0.000000       19.85378 
1 1 1 -8  23 26 o 171.094 27.708 6.6220  1.9390 0.0000  0.0000  6.6220  1.9390 ?       ?      171.094 27.708 0.000000       27.70782 
1 1 1 -8  23 27 o 236.186 23.088 12.357  2.2798 0.0000  0.0000  12.357  2.2798 ?       ?      236.186 23.088 0.000000       23.08793 
1 1 1 -8  23 28 o 150.566 19.314 5.0142  1.2031 4.0684  1.6153  6.1925  1.8030 131.799 29.657 164.659 26.776 -32.86034      39.95643 
1 1 1 -8  23 29 o 345.494 15.670 25.777  2.2927 23.945  3.3015  27.484  3.1862 328.013 23.932 353.211 21.402 -25.19748      32.10616 
1 1 1 -8  24 1  o 400.700 27.166 34.420  4.5826 34.420  4.5826  0.0000  0.0000 400.700 27.166 ?       ?      0.000000       27.16562 
1 1 1 -8  24 2  o 166.628 26.414 6.0652  1.8017 7.2400  2.5636  4.9184  2.5328 180.813 34.741 148.577 39.553 32.23544       52.64402 
1 1 1 -8  24 3  o 481.793 18.845 49.336  3.8450 50.820  5.3470  47.748  5.5330 487.479 25.994 472.136 27.795 15.34308       38.05649 
1 1 1 -8  24 4  o 313.163 16.918 20.890  2.2353 20.174  3.5423  21.363  2.8815 306.211 27.613 316.113 21.655 -9.901672      35.09191 
1 1 1 -8  24 5  o 500.540 15.236 53.184  3.2295 56.336  5.1196  51.100  4.1622 514.275 23.507 490.191 20.050 24.08392       30.89624 
1 1 1 -8  24 6  o 289.356 21.262 17.911  2.5872 0.0000  0.0000  17.911  2.5872 ?       ?      289.356 21.262 0.000000       21.26198 
1 1 1 -8  24 7  o 384.455 18.816 31.422  3.0635 0.0000  0.0000  31.422  3.0635 ?       ?      384.455 18.816 0.000000       18.81617 
1 1 1 -8  24 8  o 449.294 14.575 42.850  2.7733 42.297  4.4113  43.211  3.5661 444.902 23.496 450.827 18.679 -5.924377      30.01619 
1 1 1 -8  24 9  o 487.112 17.335 50.424  3.5759 49.634  4.8060  51.403  5.3522 482.556 23.517 490.069 25.880 -7.513550      34.96947 
1 1 1 -8  24 10 o 710.855 17.062 107.387 5.1365 115.152 7.1179  98.949  7.4196 735.049 22.866 680.789 25.735 54.26019       34.42593 
1 1 1 -8  24 11 o 528.684 16.298 59.388  3.6490 59.978  5.0903  58.764  5.2336 530.455 22.659 524.921 23.543 5.533813       32.67607 
1 1 1 -8  24 12 o 720.278 16.629 110.264 5.0722 109.979 7.2171  110.542 7.1301 717.962 23.737 719.878 23.388 -1.915588      33.32302 
1 1 1 -8  24 13 o 528.415 16.082 59.337  3.5987 58.795  5.2724  59.810  4.9242 524.888 23.719 529.697 21.951 -4.809265      32.31799 
1 1 1 -8  24 14 o 672.681 16.638 96.195  4.7398 91.303  6.8936  100.582 6.5276 653.752 24.899 686.734 22.445 -32.98169      33.52253 
1 1 1 -8  24 15 o 946.399 17.978 190.580 7.2055 181.691 10.363  198.902 10.026 921.423 26.556 964.821 24.538 -43.39764      36.15722 
1 1 1 -8  24 16 o 952.834 18.416 193.316 7.4311 182.730 10.649  203.364 10.374 923.336 27.234 974.951 25.127 -51.61444      37.05482 
1 1 1 -8  24 17 o 291.511 15.769 18.130  1.9394 14.645  2.6214  22.346  2.8828 260.501 24.032 322.810 21.205 -62.30878      32.05019 
1 1 1 -8  24 18 f 534.359 29.091 61.763  6.5585 61.763  6.5585  0.0000  0.0000 534.359 29.091 ?       ?      0.000000       29.09133 
1 1 1 -8  24 19 f 397.644 20.173 33.915  3.3859 33.915  3.3859  0.0000  0.0000 397.644 20.173 ?       ?      0.000000       20.17279 
1 1 1 -8  24 20 o 314.762 25.434 21.507  3.3613 21.507  3.3613  0.0000  0.0000 314.762 25.434 ?       ?      0.000000       25.43358 
1 1 1 -8  24 21 o 143.954 27.374 4.6348  1.6078 4.7236  2.1087  4.5115  2.4850 143.751 34.973 140.358 39.913 3.392868       53.06715 
1 1 1 -8  24 22 o 298.088 18.898 19.132  2.3733 0.0000  0.0000  19.132  2.3733 ?       ?      298.088 18.898 0.000000       18.89820 
1 1 1 -8  24 23 o 450.456 18.441 43.586  3.5178 0.0000  0.0000  43.586  3.5178 ?       ?      450.456 18.441 0.000000       18.44075 
1 1 1 -8  24 24 o 297.564 20.011 19.215  2.5071 0.0000  0.0000  19.215  2.5071 ?       ?      297.564 20.011 0.000000       20.01134 
1 1 1 -8  24 25 o 195.464 24.291 8.4759  1.9674 0.0000  0.0000  8.4759  1.9674 ?       ?      195.464 24.291 0.000000       24.29110 
1 1 1 -8  24 26 o 386.239 14.791 32.027  2.4193 31.462  3.6431  32.473  3.2359 378.629 22.827 386.336 19.845 -7.706848      30.24695 
1 1 1 -8  24 27 o 106.374 25.696 2.6089  1.1446 4.0170  1.7159  1.4802  1.5363 130.570 31.414 86.998  31.883 43.57127       44.75924 
1 1 1 -8  24 28 o 166.517 19.053 6.1156  1.3194 6.0129  1.8637  6.2189  1.8682 161.401 28.298 164.417 27.823 -3.015900      39.68493 
1 1 1 -8  25 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  25 2  o 94.026  31.810 1.7617  1.5064 -0.5943 2.3154  3.4909  1.9836 80.197  35.265 125.841 35.616 -45.64350      50.12125 
1 1 1 -8  25 3  o 189.029 24.344 7.7405  1.9035 8.4667  2.7861  7.1048  2.6068 195.785 34.881 178.828 35.672 16.95692       49.89162 
1 1 1 -8  25 4  o 79.997  30.417 0.9630  1.4243 2.5196  2.0571  -0.4704 1.9740 111.298 37.174 74.453  32.654 36.84540       49.47966 
1 1 1 -8  25 5  o 189.882 20.040 7.7543  1.5872 7.6496  2.5183  7.8233  2.0443 186.195 33.153 189.726 26.137 -3.530533      42.21677 
1 1 1 -8  25 6  o 134.080 23.589 3.9428  1.2905 4.3535  1.8313  3.5377  1.8189 139.839 31.660 126.200 33.482 13.63923       46.08012 
1 1 1 -8  25 7  o 459.236 14.943 44.777  2.9061 39.097  4.7125  48.263  3.6917 427.153 26.177 476.457 18.296 -49.30380      31.93752 
1 1 1 -8  25 8  o 539.708 18.599 61.943  4.2511 0.0000  0.0000  61.943  4.2511 ?       ?      539.708 18.599 0.000000       18.59946 
1 1 1 -8  25 9  f 1068.52 20.176 243.017 9.1299 0.0000  0.0000  243.017 9.1299 ?       ?      1068.52 20.176 0.000000       20.17623 
1 1 1 -8  25 10 o 438.541 17.798 40.893  3.3055 0.0000  0.0000  40.893  3.3055 ?       ?      438.541 17.798 0.000000       17.79838 
1 1 1 -8  25 11 o 148.005 26.402 4.8199  1.5941 0.0000  0.0000  4.8199  1.5941 ?       ?      148.005 26.402 0.000000       26.40194 
1 1 1 -8  25 12 o 422.668 17.205 37.986  3.0796 0.0000  0.0000  37.986  3.0796 ?       ?      422.668 17.205 0.000000       17.20488 
1 1 1 -8  25 13 o 345.624 13.593 25.362  1.9895 23.489  3.0539  26.743  2.6224 331.204 21.896 354.604 17.463 -23.40033      28.00696 
1 1 1 -8  25 14 o 470.413 12.552 46.968  2.5006 45.614  3.8376  47.967  3.2965 462.797 19.581 474.993 16.388 -12.19614      25.53359 
1 1 1 -8  25 15 o 532.817 13.547 60.292  3.0568 48.854  5.4887  65.436  3.6805 476.703 27.301 554.801 15.665 -78.09778      31.47624 
1 1 1 -8  25 16 o 409.999 16.947 35.781  2.9425 0.0000  0.0000  35.781  2.9425 ?       ?      409.999 16.947 0.000000       16.94678 
1 1 1 -8  25 17 o 166.536 23.411 6.0525  1.6055 0.0000  0.0000  6.0525  1.6055 ?       ?      166.536 23.411 0.000000       23.41112 
1 1 1 -8  25 18 o 484.505 17.173 50.066  3.5235 0.0000  0.0000  50.066  3.5235 ?       ?      484.505 17.173 0.000000       17.17259 
1 1 1 -8  25 19 f 270.287 19.065 15.702  2.1683 0.0000  0.0000  15.702  2.1683 ?       ?      270.287 19.065 0.000000       19.06528 
1 1 1 -8  25 20 o 289.088 26.146 18.215  3.1662 0.0000  0.0000  18.215  3.1662 ?       ?      289.088 26.146 0.000000       26.14552 
1 1 1 -8  25 21 o 234.635 18.855 11.875  1.8577 14.769  4.7768  11.359  2.0164 251.564 46.553 228.935 21.034 22.62869       51.08403 
1 1 1 -8  25 22 f 311.715 17.190 20.875  2.2604 32.079  5.7739  18.847  2.4565 377.949 36.529 295.450 19.747 82.49850       41.52509 
1 1 1 -8  25 23 o 365.409 18.713 28.810  2.8860 0.0000  0.0000  28.810  2.8860 ?       ?      365.409 18.713 0.000000       18.71283 
1 1 1 -8  25 24 o 111.906 25.759 2.8519  1.1955 4.4258  2.0581  2.0505  1.4686 137.381 35.212 96.693  31.369 40.68785       47.15815 
1 1 1 -8  25 25 o 181.801 18.345 7.2072  1.3931 10.028  2.1941  5.3019  1.8032 212.446 24.857 152.234 29.029 60.21199       38.21719 
1 1 1 -8  25 26 o 140.766 26.273 4.5182  1.5086 3.2979  1.9614  6.2858  2.3607 118.497 35.949 162.803 35.261 -44.30635      50.35497 
1 1 1 -8  25 27 o 164.385 20.953 6.0059  1.4255 6.6720  2.0946  5.4312  1.9456 169.372 30.316 152.032 31.262 17.33948       43.54730 
1 1 1 -8  25 28 o 153.388 21.599 5.2636  1.3642 5.2055  2.0360  5.3109  1.8377 147.594 33.358 150.692 29.852 -3.098282      44.76490 
1 1 1 -8  26 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  26 2  o 227.990 22.422 11.179  2.1369 10.857  3.0369  11.494  3.0073 222.603 33.233 229.473 31.801 -6.869659      45.99706 
1 1 1 -8  26 3  o 818.487 16.471 142.322 5.7090 151.887 9.3722  136.679 7.1988 843.405 26.240 801.224 21.216 42.18018       33.74374 
1 1 1 -8  26 4  o 681.759 18.561 98.835  5.3590 97.628  7.2558  100.282 7.9490 676.357 25.332 685.034 27.400 -8.677551      37.31582 
1 1 1 -8  26 5  o 834.409 18.934 148.081 6.6906 141.551 9.0528  155.943 9.9322 814.139 26.257 854.187 27.457 -40.04822      37.99068 
1 1 1 -8  26 6  o 149.793 23.466 4.8968  1.4397 5.3044  2.3315  4.6456  1.8304 153.977 36.340 144.571 30.837 9.405716       47.66050 
1 1 1 -8  26 7  o 402.640 15.497 34.434  2.6424 35.662  4.3110  33.695  3.3443 407.989 25.072 397.904 19.846 10.08505       31.97663 
1 1 1 -8  26 8  o 389.887 15.291 32.287  2.5247 27.359  4.0712  35.367  3.2183 356.718 27.154 407.753 18.637 -51.03494      32.93453 
1 1 1 -8  26 9  o 515.686 14.485 56.470  3.1634 62.459  5.2731  53.103  3.9539 541.174 23.008 499.605 18.688 41.56949       29.64134 
1 1 1 -8  26 10 o 265.461 16.545 15.036  1.8507 18.505  3.2287  13.338  2.2586 293.072 26.294 249.253 21.611 43.81984       34.03573 
1 1 1 -8  26 11 o 501.590 17.224 53.499  3.6587 0.0000  0.0000  53.499  3.6587 ?       ?      501.590 17.224 0.000000       17.22395 
1 1 1 -8  26 12 o 415.243 14.987 36.631  2.6354 37.093  5.6565  36.502  2.9784 414.135 32.514 414.324 16.975 -0.1887512     36.67840 
1 1 1 -8  26 13 o 225.936 19.016 10.944  1.8025 8.9643  3.9231  11.474  2.0294 198.582 47.321 231.081 20.966 -32.49834      51.75782 
1 1 1 -8  26 14 o 147.757 36.304 4.9050  2.2554 4.6274  4.0673  5.0283  2.7102 150.805 52.233 149.710 41.371 1.094803       66.63213 
1 1 1 -8  26 15 o 729.129 18.615 113.269 5.7479 114.101 8.7551  112.639 7.6202 728.832 28.366 725.364 24.806 3.468140       37.68250 
1 1 1 -8  26 16 o 101.926 29.794 2.2823  1.3671 0.4737  2.7083  2.9008  1.5836 95.568  39.970 114.153 31.654 -18.58456      50.98596 
1 1 1 -8  26 17 o 171.332 18.531 6.3375  1.3231 7.8261  2.2175  5.5146  1.6488 188.404 28.700 158.272 25.463 30.13194       38.36674 
1 1 1 -8  26 18 o 364.857 13.373 28.324  2.0663 23.760  3.3059  31.250  2.6470 331.661 23.693 382.789 16.329 -51.12814      28.77456 
1 1 1 -8  26 19 o 637.107 12.830 86.381  3.4617 88.418  5.1152  84.660  4.7020 642.736 18.793 629.326 17.643 13.40973       25.77648 
1 1 1 -8  26 20 o 309.224 17.937 20.534  2.3388 18.438  3.2701  22.729  3.3464 290.401 26.896 323.447 24.615 -33.04605      36.45910 
1 1 1 -8  26 21 o 185.368 17.168 7.4165  1.3324 5.7030  2.0715  8.6257  1.7402 158.526 31.960 199.164 20.945 -40.63840      38.21224 
1 1 1 -8  26 22 o 197.742 20.287 8.5099  1.6748 2.4563  5.1482  9.2264  1.7711 135.347 55.720 205.896 20.588 -70.54868      59.40247 
1 1 1 -8  26 23 o 235.636 15.938 11.964  1.5811 11.922  2.4907  11.993  2.0462 232.031 25.783 234.498 20.821 -2.466095      33.14048 
1 1 1 -8  26 24 o 91.592  26.855 1.8894  1.1092 2.2607  1.7350  1.6328  1.4425 101.854 34.140 89.147  31.094 12.70681       46.17730 
1 1 1 -8  26 25 o 467.603 14.633 46.931  2.8976 54.823  4.5604  41.587  3.7525 501.514 21.472 437.489 20.254 64.02481       29.51724 
1 1 1 -8  26 26 o 133.165 23.482 4.0108  1.2758 4.4230  1.9820  3.7192  1.6672 136.100 34.378 125.618 31.419 10.48129       46.57241 
1 1 1 -8  26 27 o 287.447 16.085 17.923  1.9502 17.879  2.9252  17.959  2.6165 282.600 24.690 284.894 21.853 -2.294464      32.97243 
1 1 1 -8  26 28 o 244.160 17.381 13.006  1.7854 14.185  2.6154  11.977  2.4433 251.271 24.907 230.414 25.465 20.85658       35.62042 
1 1 1 -8  27 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  27 2  o 476.973 16.464 48.342  3.3256 47.401  5.3396  48.939  4.2507 470.180 26.928 479.388 20.938 -9.208344      34.11035 
1 1 1 -8  27 3  o 574.143 15.830 70.027  3.8489 74.044  6.1513  67.443  4.9341 589.014 24.660 562.802 20.702 26.21246       32.19795 
1 1 1 -8  27 4  f 751.721 15.834 120.046 5.0408 119.991 8.1159  120.081 6.4317 749.580 25.567 751.055 20.222 -1.475037      32.59695 
1 1 1 -8  27 5  o 397.037 18.255 33.526  3.0694 33.702  4.1432  33.312  4.5696 396.590 24.793 393.725 27.580 2.864410       37.08590 
1 1 1 -8  27 6  o 459.993 17.510 44.988  3.4110 42.238  4.5523  48.509  5.1506 444.225 24.290 475.862 25.653 -31.63666      35.32860 
1 1 1 -8  27 7  o 337.461 15.899 24.197  2.2721 21.641  3.6026  25.885  2.9279 316.982 27.098 348.130 19.942 -31.14856      33.64512 
1 1 1 -8  27 8  o 1152.01 16.890 282.130 8.2402 296.841 13.734  273.855 10.300 1177.80 27.534 1133.61 21.455 44.19019       34.90638 
1 1 1 -8  27 9  o 430.616 14.575 39.383  2.6580 39.377  4.3448  39.386  3.3601 428.822 24.022 430.246 18.441 -1.424133      30.28418 
1 1 1 -8  27 10 o 320.543 15.901 21.836  2.1585 25.132  3.6626  20.083  2.6717 341.987 25.472 306.326 20.717 35.66043       32.83322 
1 1 1 -8  27 11 o 480.049 14.129 48.941  2.8725 52.633  4.9199  47.032  3.5381 496.548 23.397 470.187 17.769 26.36081       29.37902 
1 1 1 -8  27 12 o 507.580 12.727 54.690  2.7357 55.259  4.1124  54.238  3.6640 509.424 19.062 504.968 17.134 4.455353       25.63048 
1 1 1 -8  27 13 o 221.643 17.155 10.514  1.5977 13.941  2.5385  8.2659  2.0560 254.321 23.848 194.938 25.518 59.38280       34.92678 
1 1 1 -8  27 14 o 270.772 19.019 15.700  2.1671 14.191  2.8177  17.886  3.3907 255.990 26.368 287.273 28.236 -31.28360      38.63338 
1 1 1 -8  27 15 o 259.063 14.935 14.322  1.6315 16.691  2.7169  12.986  2.0404 278.303 23.266 245.899 19.760 32.40349       30.52481 
1 1 1 -8  27 16 o 170.690 19.205 6.2982  1.3641 7.7791  2.1749  5.3378  1.7515 187.994 28.187 155.194 27.663 32.80055       39.49377 
1 1 1 -8  27 17 o 394.724 12.855 33.135  2.1489 31.528  3.2925  34.328  2.8362 383.252 20.359 401.170 16.694 -17.91772      26.32837 
1 1 1 -8  27 18 o 369.159 13.550 29.014  2.1184 28.750  3.3742  29.185  2.7216 365.252 21.915 369.600 17.388 -4.348297      27.97498 
1 1 1 -8  27 19 o 201.504 17.313 8.7448  1.4630 6.4277  2.5136  9.9320  1.7992 167.609 36.451 214.254 20.063 -46.64580      41.60725 
1 1 1 -8  27 20 o 243.085 19.130 12.753  1.9534 11.721  2.8271  13.695  2.7021 229.906 29.733 250.067 25.890 -20.16104      39.42582 
1 1 1 -8  27 21 o 156.538 19.208 5.3416  1.2466 3.5098  2.0263  6.4572  1.5814 124.035 36.277 171.554 22.293 -47.51841      42.57936 
1 1 1 -8  27 22 o 118.527 23.383 3.1526  1.1320 3.6209  1.7980  2.8450  1.4571 125.218 33.321 111.577 30.130 13.64115       44.92301 
1 1 1 -8  27 23 o 181.632 17.756 7.1739  1.3483 7.3326  2.1287  7.0676  1.7424 179.946 28.912 178.497 23.632 1.449112       37.34123 
1 1 1 -8  27 24 o 203.728 16.593 8.9925  1.4192 9.7252  2.1944  8.4657  1.8607 208.911 25.321 195.640 22.890 13.27121       34.13390 
1 1 1 -8  27 25 o 115.911 25.046 3.0722  1.1935 3.8090  1.9975  2.6632  1.4884 126.599 35.709 107.198 31.017 19.40139       47.29954 
1 1 1 -8  27 26 o 115.957 24.013 3.0771  1.1404 5.0319  1.9139  2.0010  1.4200 145.885 31.870 94.416  30.856 51.46899       44.35993 
1 1 1 -8  27 27 o 89.574  28.377 1.8143  1.2072 2.6513  1.8266  1.1652  1.6087 106.869 35.000 82.868  32.116 24.00063       47.50154 
1 1 1 -8  28 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  28 2  f 591.236 16.263 74.285  4.0720 77.635  6.5546  72.180  5.1964 602.799 25.676 582.086 21.080 20.71344       33.22084 
1 1 1 -8  28 3  o 299.338 17.852 19.123  2.2527 18.198  3.5304  19.758  2.9257 290.072 29.133 303.526 22.930 -13.45422      37.07449 
1 1 1 -8  28 4  o 941.120 16.501 188.251 6.5767 179.609 10.706  193.489 8.3349 916.183 27.592 953.112 20.650 -36.92926      34.46368 
1 1 1 -8  28 5  o 208.083 20.151 9.3051  1.7535 10.043  2.6539  8.7331  2.3360 214.435 30.050 200.046 28.369 14.38986       41.32511 
1 1 1 -8  28 6  f 542.376 15.188 62.493  3.4885 64.504  5.5259  61.160  4.4982 549.750 23.735 535.948 19.818 13.80139       30.92133 
1 1 1 -8  28 7  o 331.214 18.799 23.421  2.6260 25.544  3.6459  21.132  3.7855 344.875 25.136 312.756 28.908 32.11868       38.30799 
1 1 1 -8  28 8  o 846.375 15.114 152.188 5.4175 145.581 8.8501  156.147 6.8510 825.335 25.321 856.518 18.888 -31.18274      31.58904 
1 1 1 -8  28 9  o 674.812 14.663 96.730  4.1904 103.047 6.9511  93.124  5.2520 694.737 23.626 661.448 18.749 33.28912       30.16172 
1 1 1 -8  28 10 o 729.310 14.285 112.975 4.4119 102.098 7.3091  119.210 5.5338 691.118 24.973 748.593 17.456 -57.47424      30.46870 
1 1 1 -8  28 11 o 833.303 14.772 147.541 5.2129 147.153 8.7736  147.753 6.4808 829.564 24.974 833.120 18.369 -3.555908      31.00175 
1 1 1 -8  28 12 o 316.531 14.088 21.285  1.8884 17.774  2.9143  23.827  2.4794 287.339 24.174 334.135 17.584 -46.79517      29.89284 
1 1 1 -8  28 13 o 233.864 16.638 11.697  1.6371 8.9264  2.6078  13.499  2.1031 201.204 31.651 250.804 19.966 -49.59988      37.42236 
1 1 1 -8  28 14 o 482.904 18.084 49.705  3.6983 52.266  5.2912  47.259  5.1712 492.978 25.431 468.493 26.169 24.48511       36.49024 
1 1 1 -8  28 15 o 325.610 13.916 22.549  1.9189 22.859  3.0685  22.350  2.4592 325.964 22.364 323.190 18.039 2.773773       28.73242 
1 1 1 -8  28 16 o 245.458 15.258 12.883  1.5782 11.653  2.4622  13.741  2.0561 231.302 25.563 252.798 19.352 -21.49565      32.06236 
1 1 1 -8  28 17 o 166.435 19.464 6.0082  1.3460 6.9042  2.2593  5.5152  1.6758 175.583 31.544 157.894 25.965 17.68878       40.85579 
1 1 1 -8  28 18 o 150.439 22.007 4.9650  1.3606 8.0181  2.4428  3.5918  1.6382 189.247 31.594 125.869 30.950 63.37738       44.22765 
1 1 1 -8  28 19 o 318.473 14.135 21.629  1.9064 23.650  3.0234  20.295  2.4563 330.763 21.705 307.065 18.982 23.69742       28.83409 
1 1 1 -8  28 20 o 434.711 17.512 40.494  3.2240 38.747  4.4562  42.413  4.6701 421.936 25.051 441.493 25.081 -19.55707      35.44891 
1 1 1 -8  28 21 o 244.270 15.511 12.821  1.5962 11.776  2.4898  13.550  2.0799 231.055 25.890 250.024 19.806 -18.96855      32.59727 
1 1 1 -8  28 22 o 129.821 27.952 3.8482  1.4913 6.9918  5.1709  3.5630  1.5575 168.368 58.862 124.397 29.928 43.97103       66.03362 
1 1 1 -8  28 23 f 316.609 15.310 21.524  2.0528 25.299  3.3086  19.162  2.6175 339.526 23.149 296.242 21.000 43.28342       31.25508 
1 1 1 -8  28 24 o 267.126 15.856 15.408  1.7857 17.432  2.7786  13.984  2.3308 281.006 23.567 252.149 22.049 28.85689       32.27325 
1 1 1 -8  28 25 o 174.149 19.227 6.6751  1.3944 5.2990  2.2473  7.5363  1.7780 148.313 36.117 183.580 23.402 -35.26700      43.03543 
1 1 1 -8  28 26 o 99.690  27.067 2.3108  1.1721 4.1698  2.0002  1.3385  1.4465 131.192 35.249 83.346  30.870 47.84630       46.85542 
1 1 1 -8  28 27 o 240.066 20.923 12.756  2.1059 11.679  2.6963  14.441  3.3722 225.293 28.929 248.094 32.909 -22.80135      43.81602 
1 1 1 -8  29 1  o 529.528 21.561 59.767  4.8351 0.0000  0.0000  59.767  4.8351 ?       ?      529.528 21.561 0.000000       21.56123 
1 1 1 -8  29 2  o 593.854 16.262 74.956  4.0897 80.796  6.4951  71.120  5.2643 614.992 24.939 577.643 21.520 37.34918       32.93991 
1 1 1 -8  29 3  o 330.760 17.643 23.334  2.4624 29.749  3.8534  18.906  3.2013 372.429 24.570 296.315 25.768 76.11414       35.60418 
1 1 1 -8  29 4  o 153.970 25.289 5.1953  1.5917 6.0838  2.5649  4.6388  2.0298 164.656 37.608 144.001 33.855 20.65456       50.60185 
1 1 1 -8  29 5  o 566.380 15.125 68.151  3.6277 69.090  5.7310  67.524  4.6861 568.877 23.788 563.123 19.650 5.753601       30.85480 
1 1 1 -8  29 6  o 511.891 15.005 55.668  3.2528 53.453  5.0768  57.211  4.2367 500.322 23.961 518.374 19.299 -18.05206      30.76639 
1 1 1 -8  29 7  o 575.518 14.923 70.368  3.6372 73.925  5.8460  68.122  4.6459 588.446 23.459 565.609 19.396 22.83691       30.43881 
1 1 1 -8  29 8  o 838.431 18.853 149.658 6.6941 168.714 9.1350  127.557 9.8379 888.635 24.274 770.819 30.137 117.8158       38.69740 
1 1 1 -8  29 9  o 559.430 17.637 66.592  4.1784 73.900  5.7510  58.421  6.0810 588.310 23.083 521.440 27.636 66.86993       36.00825 
1 1 1 -8  29 10 f 708.097 14.506 106.534 4.3499 94.764  7.3166  112.968 5.4098 665.337 25.967 728.592 17.533 -63.25525      31.33199 
1 1 1 -8  29 11 o 360.783 13.821 27.652  2.1117 29.193  3.1904  26.451  2.8171 369.422 20.473 351.846 18.976 17.57568       27.91481 
1 1 1 -8  29 12 o 250.298 15.567 13.376  1.6419 16.239  2.5436  11.332  2.1498 274.830 22.040 229.198 22.436 45.63216       31.45064 
1 1 1 -8  29 13 o 156.489 22.819 5.3472  1.4677 3.0944  2.4154  6.6660  1.8481 121.442 40.271 174.438 25.795 -52.99598      47.82364 
1 1 1 -8  29 14 o 169.913 30.064 6.4143  2.0842 9.0236  3.1331  4.3433  2.7913 199.997 38.388 139.838 42.976 60.15941       57.62431 
1 1 1 -8  29 15 o 168.600 19.818 6.1611  1.3880 6.2146  2.3884  6.1338  1.7056 165.758 35.117 167.137 24.854 -1.378403      43.02227 
1 1 1 -8  29 16 o 263.306 14.939 14.822  1.6589 13.473  2.5519  15.808  2.1832 248.954 24.524 271.150 19.135 -22.19507      31.10555 
1 1 1 -8  29 17 o 205.528 16.749 9.0832  1.4451 8.5803  2.3745  9.3791  1.8213 196.607 29.423 207.992 20.963 -11.38489      36.12659 
1 1 1 -8  29 18 o 183.372 18.599 7.2777  1.4243 4.9591  2.4686  8.4347  1.7439 146.549 39.065 196.940 21.246 -50.39149      44.46882 
1 1 1 -8  29 19 o 164.687 18.784 5.8925  1.2866 5.8519  2.0863  5.9174  1.6345 160.612 31.798 163.673 24.320 -3.060654      40.03215 
1 1 1 -8  29 20 o 236.553 20.096 12.137  1.9941 12.200  2.9861  12.086  2.6790 233.480 30.964 233.644 27.609 -0.1643524     41.48537 
1 1 1 -8  29 21 f 67.836  26.380 0.6626  1.0882 0.4267  1.9125  0.7756  1.3234 80.288  33.584 74.068  29.011 6.220573       44.37923 
1 1 1 -8  29 22 o 333.513 14.349 23.838  2.0266 26.506  3.1168  21.883  2.6675 348.631 21.212 317.198 19.959 31.43262       29.12577 
1 1 1 -8  29 23 o 245.232 16.336 13.003  1.6869 12.466  2.7288  13.336  2.1461 235.512 27.902 246.828 20.723 -11.31566      34.75581 
1 1 1 -8  29 24 o 139.525 22.521 4.3659  1.2854 4.7940  2.0996  4.1093  1.6256 141.758 35.148 132.883 29.641 8.875595       45.97814 
1 1 1 -8  29 25 o 223.669 17.266 10.913  1.6228 10.765  2.6102  11.006  2.0719 216.456 29.222 222.503 22.288 -6.047226      36.75135 
1 1 1 -8  29 26 o 95.292  27.250 2.1064  1.1550 2.7760  2.0344  1.7879  1.4030 109.348 36.967 90.212  30.698 19.13564       48.05068 
1 1 1 -8  30 1  o 740.221 31.809 117.803 9.9714 0.0000  0.0000  117.803 9.9714 ?       ?      740.221 31.809 0.000000       31.80900 
1 1 1 -8  30 2  o 307.106 22.958 20.239  2.9642 23.226  3.6688  14.624  5.0304 328.398 26.609 254.480 48.446 73.91771       55.27304 
1 1 1 -8  30 3  o 488.665 16.076 50.761  3.3269 51.493  5.2463  50.269  4.3027 490.116 25.363 485.635 20.921 4.481964       32.87827 
1 1 1 -8  30 4  o 208.035 20.058 9.3040  1.7452 8.3527  2.7508  9.9450  2.2579 194.050 34.749 214.216 25.383 -20.16583      43.03229 
1 1 1 -8  30 5  o 515.972 15.380 56.578  3.3607 58.819  5.2134  54.984  4.3961 524.831 23.456 507.948 20.436 16.88214       31.11001 
1 1 1 -8  30 6  o 277.790 17.807 16.487  2.0839 16.626  3.1821  16.383  2.7574 277.273 27.460 275.935 23.830 1.337860       36.35879 
1 1 1 -8  30 7  o 748.196 15.222 118.973 4.8233 125.403 7.7887  114.973 6.1429 766.053 24.008 734.588 19.746 31.46509       31.08575 
1 1 1 -8  30 8  o 287.817 16.895 17.683  2.0503 20.915  3.3280  15.706  2.6028 311.630 25.440 270.228 22.962 41.40134       34.26969 
1 1 1 -8  30 9  o 411.538 18.083 36.062  3.1515 33.193  4.4405  38.973  4.4734 392.636 26.867 426.065 24.901 -33.42871      36.63148 
1 1 1 -8  30 10 o 317.759 19.392 21.603  2.5971 30.243  3.7664  13.772  3.5860 375.276 23.823 250.082 34.803 125.1947       42.17540 
1 1 1 -8  30 11 o 397.394 16.587 33.617  2.7915 30.142  3.4481  40.227  4.7553 374.953 21.809 432.265 26.099 -57.31232      34.01202 
1 1 1 -8  30 12 o 167.857 20.342 6.1041  1.4165 6.1480  2.4194  6.0813  1.7472 165.173 35.635 166.464 25.605 -1.290421      43.87987 
1 1 1 -8  30 13 o 351.325 13.951 26.255  2.0757 26.441  3.2075  26.121  2.7228 350.784 21.698 349.353 18.469 1.430573       28.49417 
1 1 1 -8  30 14 o 457.267 14.289 44.511  2.7671 44.512  5.0698  44.511  3.3023 453.606 26.507 456.747 17.073 -3.141113      31.52945 
1 1 1 -8  30 15 o 565.016 12.587 67.908  3.0117 65.398  4.5169  69.917  4.0412 552.775 19.295 572.328 16.673 -19.55316      25.50102 
1 1 1 -8  30 16 o 303.659 14.214 19.651  1.8279 19.243  2.8514  19.936  2.3816 298.175 22.752 304.618 18.550 -6.443634      29.35616 
1 1 1 -8  30 17 f 186.243 18.187 7.4977  1.4162 10.072  2.3269  5.9833  1.7848 214.060 26.217 164.145 26.584 49.91516       37.33670 
1 1 1 -8  30 18 o 439.809 13.221 41.229  2.4625 41.646  3.8564  40.943  3.1998 439.930 20.699 437.262 17.280 2.667877       26.96370 
1 1 1 -8  30 19 o 311.548 14.024 20.722  1.8503 18.944  2.8463  22.023  2.4351 295.036 22.961 319.838 18.051 -24.80182      29.20752 
1 1 1 -8  30 20 o 145.329 20.764 4.6514  1.2416 5.2126  2.3324  4.4295  1.4667 149.208 37.076 140.418 25.608 8.789902       45.05975 
1 1 1 -8  30 21 o 259.482 15.339 14.496  1.6781 18.257  2.6365  11.935  2.1756 289.044 21.697 233.163 22.306 55.88062       31.11778 
1 1 1 -8  30 22 o 336.056 14.338 24.220  2.0406 23.909  3.1090  24.456  2.7048 330.220 22.364 335.535 19.114 -5.315918      29.41884 
1 1 1 -8  30 23 o 277.251 18.991 16.746  2.2164 15.429  6.2965  16.932  2.3679 236.376 62.096 278.275 20.232 -41.89876      65.30892 
1 1 1 -8  30 24 o 216.590 16.871 10.212  1.5353 10.816  2.4157  9.8030  1.9885 218.662 26.637 209.870 22.737 8.791946       35.02173 
1 1 1 -8  30 25 o 239.866 19.827 12.679  1.9960 12.084  2.6783  13.424  2.9935 229.700 28.121 241.060 29.971 -11.36040      41.09750 
1 1 1 -8  30 26 o 151.613 25.125 5.2579  1.5567 5.8915  2.2899  4.7134  2.1227 155.527 35.543 138.741 35.865 16.78651       50.49360 
1 1 1 -8  31 1  o 355.723 23.074 27.142  3.4572 0.0000  0.0000  27.142  3.4572 ?       ?      355.723 23.074 0.000000       23.07372 
1 1 1 -8  31 2  o 172.384 32.051 6.5946  2.2537 7.5780  2.6847  4.2479  4.1472 184.284 35.690 147.543 52.609 36.74081       63.57304 
1 1 1 -8  31 3  o 322.701 21.769 22.320  2.9576 23.457  3.5988  19.955  5.1913 330.028 25.959 300.024 42.010 30.00375       49.38292 
1 1 1 -8  31 4  o 199.166 29.597 8.6976  2.4205 3.7748  2.9110  19.726  4.3570 133.955 44.199 300.321 34.909 -166.3655      56.32240 
1 1 1 -8  31 5  o 322.333 16.599 22.159  2.2581 24.312  3.4826  20.597  2.9661 336.279 24.626 309.732 22.773 26.54712       33.54162 
1 1 1 -8  31 6  o 112.172 29.299 2.8021  1.4070 2.9625  2.0729  2.6651  1.9161 117.590 37.177 112.005 35.778 5.584564       51.59630 
1 1 1 -8  31 7  o 413.741 15.470 36.399  2.7106 29.710  4.3055  40.790  3.4887 371.136 27.591 437.549 18.827 -66.41309      33.40267 
1 1 1 -8  31 8  o 123.656 28.078 3.4121  1.4368 3.9459  2.5814  3.1726  1.7294 134.230 41.340 119.407 33.068 14.82289       52.93872 
1 1 1 -8  31 9  f 236.999 18.864 12.049  1.8776 12.374  3.1874  11.876  2.3236 237.258 32.583 234.404 23.735 2.854202       40.31076 
1 1 1 -8  31 10 o 319.046 15.885 21.665  2.1462 19.544  3.7178  22.726  2.6284 299.718 29.681 325.833 19.132 -26.11557      35.31285 
1 1 1 -8  31 11 o 335.112 17.198 23.997  2.4325 23.737  3.0652  24.441  3.9978 332.344 21.901 335.604 28.395 -3.259735      35.86031 
1 1 1 -8  31 12 o 788.708 15.828 132.523 5.2869 134.176 6.6192  129.609 8.7863 792.283 19.728 775.632 26.749 16.65057       33.23715 
1 1 1 -8  31 13 o 346.897 17.801 25.763  2.6063 25.763  3.3562  25.764  4.1367 345.617 23.062 343.930 28.663 1.686493       36.78882 
1 1 1 -8  31 14 o 146.151 24.787 4.7250  1.4793 0.2386  2.8168  6.4337  1.7384 94.528  40.209 171.118 24.704 -76.59002      47.19176 
1 1 1 -8  31 15 f 448.073 12.840 42.738  2.4364 42.098  3.7452  43.207  3.2081 443.051 19.961 449.671 16.847 -6.619598      26.11968 
1 1 1 -8  31 16 o 123.050 24.608 3.3844  1.2375 1.6233  2.0716  4.3614  1.5431 97.540  36.780 139.499 27.097 -41.95901      45.68386 
1 1 1 -8  31 17 o 145.021 23.275 4.6510  1.3811 3.8672  2.3678  5.0552  1.7003 130.402 39.483 150.135 27.766 -19.73322      48.26847 
1 1 1 -8  31 18 o 78.728  27.852 1.1981  1.1602 -0.6752 2.3943  1.7729  1.3263 79.474  35.359 91.203  29.822 -11.72897      46.25539 
1 1 1 -8  31 19 o 163.646 19.872 5.8547  1.3489 5.9759  2.1872  5.7803  1.7137 161.289 33.130 160.837 26.050 0.4523926      42.14513 
1 1 1 -8  31 20 o 244.433 16.696 12.902  1.7179 10.756  3.1168  13.838  2.0589 215.874 35.314 252.342 19.416 -36.46767      40.29983 
1 1 1 -8  31 21 o 301.806 14.578 19.541  1.8632 19.206  2.8907  19.780  2.4369 295.410 23.296 301.649 19.176 -6.239288      30.17293 
1 1 1 -8  31 22 o 291.168 14.951 18.263  1.8374 19.433  2.8476  17.428  2.4051 297.089 22.807 282.422 20.243 14.66650       30.49495 
1 1 1 -8  31 23 o 228.266 19.338 11.414  1.8518 12.635  2.4826  9.8825  2.7801 237.661 25.044 205.892 32.999 31.76840       41.42611 
1 1 1 -8  31 24 o 136.294 25.889 4.2743  1.4396 6.2017  2.0809  2.5049  1.9938 162.225 31.425 105.437 36.568 56.78727       48.21545 
1 1 1 -8  31 25 o 117.781 25.086 3.2096  1.2129 2.3202  1.9554  3.7659  1.5463 102.162 36.157 126.161 29.474 -23.99864      46.64833 
1 1 1 -8  32 1  o 541.546 21.941 62.667  5.0320 0.0000  0.0000  62.667  5.0320 ?       ?      541.546 21.941 0.000000       21.94119 
1 1 1 -8  32 2  f 136.694 51.627 3.1850  4.0859 0.0000  0.0000  3.1850  4.0859 ?       ?      136.694 51.627 0.000000       51.62700 
1 1 1 -8  32 3  o 234.684 20.145 11.834  1.9827 9.6181  3.0601  13.438  2.6030 207.860 36.071 249.275 24.994 -41.41507      43.88418 
1 1 1 -8  32 4  o 129.051 36.283 3.7138  2.0657 3.4336  2.3885  4.5453  4.1146 126.149 39.909 149.816 52.499 -23.66684      65.94641 
1 1 1 -8  32 5  o 247.159 23.261 13.178  2.4061 14.290  2.8563  10.464  4.4647 256.743 26.659 213.271 50.257 43.47208       56.88960 
1 1 1 -8  32 6  f 155.573 31.009 5.3957  1.9713 6.5298  2.2418  1.5288  4.1395 171.285 32.084 123.285 50.267 47.99991       59.63329 
1 1 1 -8  32 7  o 442.489 19.426 41.771  3.6402 43.905  4.9085  39.164  5.4265 451.663 25.769 425.156 30.338 26.50763       39.80498 
1 1 1 -8  32 8  o 287.743 16.923 17.697  2.0531 23.082  3.4249  14.676  2.5651 327.137 24.908 260.746 23.482 66.39151       34.23178 
1 1 1 -8  32 9  f 523.113 14.734 58.222  3.2641 55.297  5.5573  59.763  4.0331 506.610 25.990 529.368 17.990 -22.75735      31.60918 
1 1 1 -8  32 10 o 100.763 29.698 2.2323  1.3534 0.7921  2.6817  2.7244  1.5676 97.826  40.238 110.763 31.769 -12.93762      51.26755 
1 1 1 -8  32 11 o 107.321 31.391 2.5495  1.5171 4.1296  2.8028  1.8946  1.8044 136.768 43.228 98.689  34.753 38.07841       55.46579 
1 1 1 -8  32 12 o 219.717 17.654 10.376  1.6288 8.9936  2.7185  11.150  2.0344 200.632 33.153 227.053 21.410 -26.42122      39.46508 
1 1 1 -8  32 13 o 294.821 18.696 18.671  2.3222 12.933  3.0572  26.497  3.5703 242.018 30.506 349.858 24.247 -107.8401      38.96841 
1 1 1 -8  32 14 o 455.685 20.671 44.585  3.9890 37.764  6.4978  48.711  5.0534 411.333 37.722 474.058 25.263 -62.72525      45.39971 
1 1 1 -8  32 15 o 125.508 31.536 3.5838  1.6741 3.0647  2.2039  4.2919  2.5741 118.385 38.429 137.106 41.090 -18.72088      56.25971 
1 1 1 -8  32 16 f 167.436 25.988 6.2204  1.7830 4.7525  2.3361  8.2689  2.7597 143.352 37.903 190.395 35.533 -47.04335      51.95395 
1 1 1 -8  32 17 o 199.123 22.258 8.6661  1.8448 8.9478  2.4080  8.2657  2.8705 200.191 29.268 189.453 37.105 10.73799       47.25888 
1 1 1 -8  32 18 o 252.553 16.086 13.720  1.7115 18.453  2.9352  11.282  2.1066 290.439 24.081 227.260 22.171 63.17871       32.73297 
1 1 1 -8  32 19 o 266.583 14.712 15.266  1.6544 13.505  2.6887  16.340  2.0988 246.870 26.114 274.824 18.135 -27.95331      31.79351 
1 1 1 -8  32 20 o 177.495 24.817 7.0385  1.8144 6.0740  2.6568  7.8815  2.4839 159.001 39.604 184.621 32.980 -25.62077      51.53806 
1 1 1 -8  32 21 o 121.368 26.999 3.3846  1.3519 3.8109  2.0261  3.0424  1.8150 126.879 36.026 114.412 34.552 12.46736       49.91719 
1 1 1 -8  32 22 f 140.926 26.009 4.5286  1.4951 6.0745  2.1243  3.0112  2.1046 161.111 32.260 114.298 37.575 46.81252       49.52353 
1 1 1 -8  32 23 f 464.829 22.618 47.689  4.4524 62.939  8.5624  42.038  5.2125 511.661 39.830 430.295 28.770 81.36578       49.13392 
1 1 1 -8  32 24 o 147.485 28.352 5.0767  1.7065 5.7809  2.1283  3.8087  2.8559 155.111 33.388 125.180 43.746 29.93102       55.03119 
1 1 1 -8  32 25 o 214.880 23.052 10.366  2.0649 11.894  2.5494  7.4505  3.5208 228.078 26.913 167.218 47.494 60.85995       54.58899 
1 1 1 -8  33 1  o 261.779 23.442 14.799  2.5713 14.251  3.4087  15.522  3.9167 254.622 32.341 264.836 35.842 -10.21442      48.27675 
1 1 1 -8  33 2  o 387.400 21.016 32.173  3.4350 30.472  4.2515  35.371  5.8296 375.509 26.913 402.189 34.563 -26.68018      43.80522 
1 1 1 -8  33 3  o 348.789 24.893 26.228  3.6527 0.0000  0.0000  26.228  3.6527 ?       ?      348.789 24.893 0.000000       24.89282 
1 1 1 -8  33 4  o 447.426 21.634 42.815  4.0992 0.0000  0.0000  42.815  4.0992 ?       ?      447.426 21.634 0.000000       21.63372 
1 1 1 -8  33 5  o 312.948 21.771 21.050  2.8674 0.0000  0.0000  21.050  2.8674 ?       ?      312.948 21.771 0.000000       21.77103 
1 1 1 -8  33 6  o 243.805 18.567 12.755  1.9026 11.615  2.8321  13.693  2.5687 230.149 29.754 251.491 24.426 -21.34230      38.49549 
1 1 1 -8  33 7  o 380.209 25.722 31.213  4.1173 31.213  4.1173  0.0000  0.0000 380.209 25.722 ?       ?      0.000000       25.72227 
1 1 1 -8  33 8  o 318.329 20.698 21.768  2.7752 22.766  3.6836  20.459  4.2202 323.949 27.100 305.134 33.194 18.81479       42.85154 
1 1 1 -8  33 9  o 319.864 20.881 21.996  2.8130 23.968  3.6732  19.200  4.3744 332.520 26.299 294.374 35.829 38.14615       44.44452 
1 1 1 -8  33 10 o 288.681 19.306 17.903  2.3466 17.155  3.0209  19.042  3.7263 281.005 25.669 294.777 30.280 -13.77148      39.69603 
1 1 1 -8  33 11 o 138.059 29.083 4.2830  1.6467 8.4612  2.3915  0.5161  2.2708 195.305 29.864 88.397  36.753 106.9076       47.35623 
1 1 1 -8  33 12 o 448.517 17.828 43.022  3.3863 47.236  5.0138  39.487  4.5918 466.931 25.451 426.774 25.523 40.15698       36.04466 
1 1 1 -8  33 13 o 179.314 43.431 7.5073  3.2631 7.5073  3.2631  0.0000  0.0000 179.314 43.431 ?       ?      0.000000       43.43069 
1 1 1 -8  33 14 o 212.764 22.326 9.8591  1.9817 6.9472  3.1081  11.854  2.5723 172.279 42.793 232.237 26.636 -59.95824      50.40586 
1 1 1 -8  33 15 o 291.498 17.172 18.259  2.1105 19.236  2.8929  17.147  3.0858 297.491 23.145 279.687 26.363 17.80435       35.08154 
1 1 1 -8  33 16 o 313.541 16.720 21.116  2.2120 22.957  2.8922  18.520  3.4336 325.632 21.086 289.703 28.350 35.92883       35.33219 
1 1 1 -8  33 17 o 309.759 22.789 20.905  2.9685 20.905  2.9685  0.0000  0.0000 309.759 22.789 ?       ?      0.000000       22.78889 
1 1 1 -8  33 18 o 176.917 34.731 7.2502  2.5092 7.2502  2.5092  0.0000  0.0000 176.917 34.731 ?       ?      0.000000       34.73057 
1 1 1 -8  33 19 o 204.833 29.798 9.5193  2.5091 9.5193  2.5091  0.0000  0.0000 204.833 29.798 ?       ?      0.000000       29.79842 
1 1 1 -8  33 20 o 117.527 33.104 3.2305  1.7179 4.5856  2.4106  1.8320  2.4489 138.098 39.325 102.157 39.616 35.94160       55.81981 
1 1 1 -8  33 21 o 107.604 33.181 2.6714  1.6624 2.3294  2.2890  3.0530  2.4182 106.211 38.919 116.343 40.277 -10.13152      56.00803 
1 1 1 -8  33 22 o 206.162 23.259 9.4889  1.9952 11.952  2.7505  6.7537  2.8985 228.562 29.074 164.641 41.565 63.92163       50.72423 
1 1 1 -8  33 23 o 132.863 31.666 4.2181  1.7565 6.2464  2.3016  1.3893  2.7181 160.701 34.826 98.517  40.514 62.18471       53.42491 
1 1 1 -8  33 24 o 250.645 17.645 13.760  1.8610 10.464  2.9712  15.887  2.3873 208.626 34.860 267.464 21.252 -58.83786      40.82677 
1 1 1 -8  34 1  o 329.045 22.250 23.317  3.0823 22.930  4.0198  23.868  4.8017 324.220 29.603 328.963 35.005 -4.742615      45.84413 
1 1 1 -8  34 2  o 348.123 28.118 26.329  4.1100 26.329  4.1100  0.0000  0.0000 348.123 28.118 ?       ?      0.000000       28.11834 
1 1 1 -8  34 3  o 268.324 20.238 15.485  2.2827 12.130  3.1844  19.032  3.2740 234.078 33.042 296.133 26.383 -62.05508      42.28323 
1 1 1 -8  34 4  o 94.510  33.297 1.7265  1.6565 0.9476  2.1209  2.9448  2.6526 90.787  36.349 120.864 42.164 -30.07705      55.66955 
1 1 1 -8  34 5  o 218.220 32.617 10.562  2.9218 0.0000  0.0000  10.562  2.9218 ?       ?      218.220 32.617 0.000000       32.61691 
1 1 1 -8  34 6  o 424.300 21.668 38.682  3.8806 0.0000  0.0000  38.682  3.8806 ?       ?      424.300 21.668 0.000000       21.66847 
1 1 1 -8  34 7  o 248.852 23.255 13.413  2.4224 0.0000  0.0000  13.413  2.4224 ?       ?      248.852 23.255 0.000000       23.25517 
1 1 1 -8  34 8  o 387.620 20.656 32.283  3.3785 0.0000  0.0000  32.283  3.3785 ?       ?      387.620 20.656 0.000000       20.65566 
1 1 1 -8  34 9  o 395.464 19.263 33.477  3.2261 0.0000  0.0000  33.477  3.2261 ?       ?      395.464 19.263 0.000000       19.26311 
1 1 1 -8  34 10 o 281.546 14.883 16.946  1.7683 16.832  2.9098  17.013  2.2265 278.215 24.962 281.306 18.798 -3.091278      31.24876 
1 1 1 -8  34 11 o 288.942 15.258 17.862  1.8605 18.916  2.9415  17.160  2.4019 295.257 23.725 282.081 20.241 13.17645       31.18637 
1 1 1 -8  34 12 o 253.357 17.152 13.793  1.8294 9.1271  2.9223  16.800  2.3460 200.539 35.719 279.041 19.985 -78.50279      40.92980 
1 1 1 -8  34 13 o 314.505 19.285 21.311  2.5562 19.422  3.3379  23.990  3.9748 297.808 26.752 330.431 28.690 -32.62286      39.22721 
1 1 1 -8  34 14 o 170.473 21.159 6.3528  1.4947 9.0569  2.6210  5.0495  1.8195 200.635 31.916 149.398 29.804 51.23734       43.66784 
1 1 1 -8  34 15 o 98.086  30.196 2.1255  1.3773 2.0351  3.0709  2.1483  1.5410 112.915 44.202 99.502  32.118 13.41239       54.63847 
1 1 1 -8  34 16 o 185.236 21.572 7.5152  1.6606 5.4716  3.4951  8.1109  1.8872 152.154 48.292 191.890 23.728 -39.73677      53.80691 
1 1 1 -8  34 17 o 236.935 21.341 12.262  2.1184 0.0000  0.0000  12.262  2.1184 ?       ?      236.935 21.341 0.000000       21.34080 
1 1 1 -8  34 18 o 316.149 18.075 21.644  2.4100 0.0000  0.0000  21.644  2.4100 ?       ?      316.149 18.075 0.000000       18.07541 
1 1 1 -8  34 19 o 120.023 28.210 3.3287  1.4097 0.0000  0.0000  3.3287  1.4097 ?       ?      120.023 28.210 0.000000       28.21006 
1 1 1 -8  34 20 o 197.769 21.990 8.6551  1.8106 0.0000  0.0000  8.6551  1.8106 ?       ?      197.769 21.990 0.000000       21.99000 
1 1 1 -8  34 21 o 176.147 23.161 6.9427  1.6858 17.643  5.1218  5.6426  1.7853 264.355 47.496 156.629 27.940 107.7256       55.10492 
1 1 1 -8  34 22 o 45.726  21.610 -1.1714 1.1019 6.0579  4.8761  -1.5605 1.1312 151.093 56.536 43.651  20.976 107.4421       60.30150 
1 1 1 -8  34 23 o 234.207 20.778 12.178  2.0394 20.840  5.9732  11.035  2.1698 276.996 52.849 221.451 23.496 55.54524       57.83613 
1 1 1 -8  34 24 o 332.658 20.706 24.504  2.9025 0.0000  0.0000  24.504  2.9025 ?       ?      332.658 20.706 0.000000       20.70581 
1 1 1 -8  35 1  o 181.404 28.306 7.2873  2.1035 8.5090  3.0523  6.1823  2.9030 193.220 38.652 163.696 41.746 29.52419       56.89200 
1 1 1 -8  35 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -8  35 3  o 181.533 32.557 7.3881  2.4109 5.8503  3.1288  9.6360  3.7826 159.274 44.610 203.904 45.010 -44.63019      63.37117 
1 1 1 -8  35 4  f 568.149 15.971 68.852  3.8426 65.756  6.0759  70.916  4.9608 551.920 25.995 575.292 20.362 -23.37134      33.02028 
1 1 1 -8  35 5  o 130.192 34.999 3.8444  1.9713 4.2174  3.0768  3.5847  2.5674 138.638 45.426 128.109 41.467 10.52870       61.50672 
1 1 1 -8  35 6  o 409.900 15.930 35.846  2.7652 36.018  4.1576  35.709  3.7029 408.223 24.157 407.310 21.544 0.9129028      32.36801 
1 1 1 -8  35 7  o 194.802 22.758 8.2678  1.8421 4.6894  2.8827  10.737  2.3948 143.699 43.578 221.477 26.029 -77.77744      50.75977 
1 1 1 -8  35 8  o 334.034 15.956 23.818  2.2571 22.713  3.8029  24.419  2.8044 322.341 28.140 336.948 19.740 -14.60681      34.37341 
1 1 1 -8  35 9  o 380.881 19.694 31.194  3.1658 0.0000  0.0000  31.194  3.1658 ?       ?      380.881 19.694 0.000000       19.69425 
1 1 1 -8  35 10 o 65.797  29.629 -0.7864 1.7372 5.9609  4.4005  -2.0321 1.8908 161.749 54.370 60.196  28.406 101.5538       61.34279 
1 1 1 -8  35 11 o 159.301 24.814 5.6157  1.6195 7.0602  4.3328  5.3811  1.7461 172.459 53.633 155.121 27.591 17.33862       60.31382 
1 1 1 -8  35 12 o 249.214 18.504 13.395  1.9390 16.647  5.1229  12.852  2.0948 266.129 47.182 243.568 20.499 22.56081       51.44275 
1 1 1 -8  35 13 o 275.836 26.502 16.710  3.0577 0.0000  0.0000  16.710  3.0577 ?       ?      275.836 26.502 0.000000       26.50187 
1 1 1 -8  35 14 o 185.064 21.855 7.4977  1.6798 3.1314  4.3698  8.2548  1.8196 134.099 52.659 194.098 22.557 -59.99922      57.28683 
1 1 1 -8  35 15 o 157.764 22.705 5.5003  1.4733 3.7082  3.2069  5.9797  1.6587 130.922 46.307 164.051 24.636 -33.12881      52.45251 
1 1 1 -8  35 16 o 139.082 27.245 4.3889  1.5473 11.164  3.2727  2.4384  1.7560 219.683 36.455 105.124 34.311 114.5593       50.06215 
1 1 1 -8  35 17 o 121.177 28.364 3.3806  1.4298 6.5652  2.8583  2.3177  1.6513 164.875 41.085 102.144 33.269 62.73160       52.86583 
1 1 1 -8  35 18 o 280.233 15.101 16.927  1.7855 18.144  2.9771  16.244  2.2314 285.971 24.829 272.928 19.432 13.04221       31.52926 
1 1 1 -8  35 19 o 156.471 20.111 5.4106  1.3018 6.8038  2.3726  4.8105  1.5570 169.951 34.150 145.303 26.271 24.64789       43.08562 
1 1 1 -8  35 20 o 127.570 24.567 3.7105  1.2791 1.2242  2.2939  4.8323  1.5409 93.022  37.605 145.503 25.958 -52.48138      45.69422 
1 1 1 -8  35 21 o 201.878 17.380 8.9161  1.4714 6.2956  2.3619  10.578  1.8810 161.242 35.546 218.671 20.553 -57.42888      41.06008 
1 1 1 -8  35 22 o 509.035 13.975 55.897  3.0127 58.514  4.6572  54.014  3.9505 514.501 21.375 496.711 18.780 17.78915       28.45312 
1 1 1 -8  35 23 o 341.794 17.927 25.596  2.5858 36.993  6.8458  23.699  2.7927 382.984 42.948 327.345 20.245 55.63904       47.48068 
1 1 1 -8  36 1  o 404.382 17.482 34.975  2.9939 34.754  4.6841  35.127  3.8929 399.146 27.886 403.213 22.892 -4.067871      36.07890 
1 1 1 -8  36 2  o 207.148 54.365 10.316  4.8294 0.0000  0.0000  10.316  4.8294 ?       ?      207.148 54.365 0.000000       54.36545 
1 1 1 -8  36 3  o 455.463 17.291 44.354  3.3351 50.372  5.0987  39.853  4.4092 482.225 25.053 429.050 24.367 53.17572       34.94891 
1 1 1 -8  36 4  o 390.420 20.308 32.796  3.3461 31.698  4.4174  34.274  5.1252 381.287 27.543 395.119 30.875 -13.83151      41.37434 
1 1 1 -8  36 5  o 465.195 16.729 46.248  3.2958 48.162  5.1857  44.951  4.2688 470.960 26.102 457.079 22.053 13.88092       34.17122 
1 1 1 -8  36 6  o 212.096 23.713 9.8192  2.0935 12.227  3.4585  8.4267  2.6300 232.804 36.261 193.458 33.303 39.34579       49.23304 
1 1 1 -8  36 7  o 290.973 17.833 18.191  2.1868 18.995  3.4873  17.670  2.8074 294.197 28.341 285.260 23.447 8.937622       36.78242 
1 1 1 -8  36 8  o 504.775 15.061 54.391  3.2196 59.816  5.2363  51.094  4.0824 526.314 23.493 487.818 19.761 38.49622       30.69903 
1 1 1 -8  36 9  o 132.073 26.824 3.9206  1.4491 4.5845  2.5012  3.5852  1.7779 140.950 40.030 125.341 33.029 15.60852       51.89731 
1 1 1 -8  36 10 o 96.539  28.610 2.0702  1.2531 -0.1606 2.3265  2.9819  1.4873 82.573  35.845 114.597 30.216 -32.02372      46.88170 
1 1 1 -8  36 11 o 357.249 14.109 27.242  2.1345 31.634  3.4074  24.405  2.7384 382.535 21.115 336.439 19.301 46.09610       28.60690 
1 1 1 -8  36 12 o 375.432 14.100 30.097  2.2418 29.415  3.5970  30.529  2.8666 367.862 23.209 377.147 17.948 -9.284912      29.33870 
1 1 1 -8  36 13 o 306.241 15.643 20.127  2.0220 19.375  3.8399  20.416  2.3785 294.662 31.249 307.669 18.338 -13.00708      36.23197 
1 1 1 -8  36 14 o 162.270 21.017 5.7839  1.4104 7.5652  2.4137  4.8604  1.7379 182.028 32.503 146.187 29.095 35.84148       43.62349 
1 1 1 -8  36 15 o 206.076 17.885 9.2138  1.5454 11.089  2.6127  8.2049  1.9166 222.459 28.380 192.497 24.034 29.96271       37.18935 
1 1 1 -8  36 16 o 280.275 15.185 16.916  1.7957 18.013  2.8459  16.190  2.3145 285.896 23.720 272.434 20.205 13.46152       31.15893 
1 1 1 -8  36 17 o 133.582 25.153 4.0525  1.3707 6.9618  2.2080  2.2285  1.7484 173.559 31.187 100.924 34.269 72.63469       46.33565 
1 1 1 -8  36 18 o 122.073 24.938 3.4017  1.2457 4.1030  2.1263  3.0352  1.5371 130.879 36.817 113.930 31.021 16.94928       48.14348 
1 1 1 -8  36 19 o 247.715 15.815 13.291  1.6504 12.525  2.5849  13.818  2.1443 235.842 26.330 250.779 20.367 -14.93706      33.28811 
1 1 1 -8  36 20 o 240.094 17.333 12.580  1.7505 14.817  3.3085  11.710  2.0629 252.473 31.638 229.797 21.446 22.67633       38.22199 
1 1 1 -8  36 21 o 249.964 15.830 13.598  1.6671 11.294  2.7769  14.897  2.0845 219.714 30.681 260.124 19.055 -40.40953      36.11670 
1 1 1 -8  36 22 o 230.919 17.047 11.681  1.6553 11.677  2.7717  11.684  2.0637 223.367 30.065 228.690 21.563 -5.323578      36.99800 
1 1 1 -8  36 23 o 277.571 16.428 16.820  1.9225 20.316  3.0884  14.609  2.4565 299.781 24.542 254.953 23.000 44.82811       33.63486 
1 1 1 -8  37 1  o 151.357 31.604 5.2002  1.9603 3.6090  2.8677  6.5960  2.6859 129.203 43.889 168.899 38.417 -39.69655      58.32742 
1 1 1 -8  37 2  o 145.565 51.940 4.5087  4.0430 0.0000  0.0000  4.5087  4.0430 ?       ?      145.565 51.940 0.000000       51.93954 
1 1 1 -8  37 3  o 203.465 24.937 9.0883  2.1037 9.4988  3.2060  8.7780  2.7879 203.436 38.626 196.773 34.725 6.662506       51.93981 
1 1 1 -8  37 4  o 247.374 21.624 13.275  2.2426 15.426  3.5009  11.778  2.9204 263.273 32.062 230.074 30.742 33.19896       44.41902 
1 1 1 -8  37 5  o 158.273 34.942 5.7415  2.2794 3.3004  3.1537  8.4116  3.2983 127.424 45.830 189.858 42.123 -62.43479      62.24732 
1 1 1 -8  37 6  o 157.608 34.686 5.6934  2.2524 2.2823  3.1891  9.0883  3.1816 117.055 45.260 198.495 39.239 -81.43931      59.90140 
1 1 1 -8  37 7  o 107.882 37.975 2.3594  2.1542 2.1349  2.6907  2.7602  3.5953 110.366 41.845 125.290 48.162 -14.92450      63.80086 
1 1 1 -8  37 8  o 94.827  29.740 1.9624  1.3291 1.1860  2.2650  2.3701  1.6414 94.641  37.673 104.069 33.101 -9.427643      50.14912 
1 1 1 -8  37 9  f 112.881 26.847 2.8847  1.2647 4.0766  2.0658  2.1702  1.5994 132.984 35.861 100.349 32.745 32.63452       48.56190 
1 1 1 -8  37 10 o 201.386 18.122 8.7746  1.5290 10.202  2.4504  7.8645  1.9566 214.462 27.622 188.691 25.109 25.77132       37.32838 
1 1 1 -8  37 11 o 305.995 14.850 20.021  1.9244 21.269  3.2197  19.327  2.4003 311.878 24.577 299.138 19.046 12.73956       31.09320 
1 1 1 -8  37 12 o 247.068 16.426 13.146  1.7089 16.125  2.8047  11.386  2.1552 271.049 24.705 228.118 22.607 42.93129       33.48713 
1 1 1 -8  37 13 f 205.268 19.930 9.1828  1.7107 2.0285  3.6675  11.172  1.9339 117.761 47.569 226.450 20.385 -108.6892      51.75291 
1 1 1 -8  37 14 o 132.493 26.460 3.9872  1.4327 6.6288  2.5973  2.8318  1.7177 167.498 37.544 111.251 33.617 56.24656       50.39473 
1 1 1 -8  37 15 o 301.126 14.393 19.451  1.8355 18.196  2.9380  20.255  2.3507 286.883 24.415 305.583 18.248 -18.69998      30.48065 
1 1 1 -8  37 16 f 269.739 15.914 15.726  1.8098 17.874  2.8249  14.230  2.3571 284.248 23.682 254.134 22.122 30.11458       32.40754 
1 1 1 -8  37 17 o 157.501 22.203 5.5335  1.4398 6.5305  2.3624  4.9443  1.8161 165.991 34.723 145.679 30.420 20.31207       46.16314 
1 1 1 -8  37 18 o 245.734 15.827 13.083  1.6382 10.743  2.6206  14.584  2.0989 216.637 29.318 258.097 19.344 -41.45985      35.12421 
1 1 1 -8  37 19 o 237.230 15.624 12.215  1.5609 10.970  2.4646  13.048  2.0169 219.485 27.091 243.499 19.729 -24.01398      33.51300 
1 1 1 -8  37 20 o 166.941 20.712 6.2243  1.4328 7.1419  2.3369  5.6715  1.8137 172.628 33.172 155.754 28.550 16.87393       43.76568 
1 1 1 -8  37 21 o 100.495 30.550 2.3870  1.4155 1.8312  2.0791  2.8672  1.9325 95.930  36.684 109.426 36.008 -13.49586      51.40313 
1 1 1 -8  37 22 o 176.937 20.299 6.9933  1.4935 8.7544  2.5982  6.1242  1.8252 190.562 33.413 161.962 27.600 28.60010       43.33836 
1 1 1 -8  38 1  o 326.324 19.239 22.961  2.6470 17.917  4.0795  26.629  3.4786 282.221 34.875 349.963 23.609 -67.74210      42.11522 
1 1 1 -8  38 2  o 114.129 47.805 1.1019  3.8825 0.0000  0.0000  1.1019  3.8825 ?       ?      114.129 47.805 0.000000       47.80479 
1 1 1 -8  38 3  o 165.203 29.896 6.1516  2.0146 6.2974  3.0569  6.0397  2.6785 163.405 43.431 160.862 39.587 2.542435       58.76534 
1 1 1 -8  38 4  o 581.255 16.211 72.302  3.9905 77.434  6.4962  69.192  5.0572 596.784 25.704 566.558 21.078 30.22626       33.24099 
1 1 1 -8  38 5  o 178.148 28.428 7.0961  2.0726 10.416  3.2131  4.7302  2.7124 213.356 36.896 142.693 42.040 70.66245       55.93476 
1 1 1 -8  38 6  o 118.739 33.807 3.2129  1.7817 -0.8268 3.0595  5.2859  2.1916 89.393  39.856 151.407 34.896 -62.01426      52.97419 
1 1 1 -8  38 7  o 278.736 21.214 16.857  2.4853 11.758  3.2921  23.614  3.7897 227.441 35.325 327.650 27.568 -100.2085      44.80907 
1 1 1 -8  38 8  o 179.919 24.983 7.1632  1.8522 4.8589  2.8849  8.7791  2.4158 144.241 43.561 197.896 29.746 -53.65533      52.74889 
1 1 1 -8  38 9  o 96.462  27.585 2.0903  1.1835 2.9343  2.1078  1.7017  1.4303 115.201 37.591 90.731  30.994 24.47005       48.72092 
1 1 1 -8  38 10 o 132.609 24.557 3.9421  1.3283 5.8312  2.2592  2.9441  1.6421 158.751 34.583 113.563 32.498 45.18791       47.45594 
1 1 1 -8  38 11 o 302.170 14.901 19.550  1.9068 24.201  3.0855  16.677  2.4253 333.361 21.979 276.895 20.836 56.46606       30.28566 
1 1 1 -8  38 12 o 124.335 30.705 3.5699  1.6071 5.5888  2.4615  2.0697  2.1218 153.674 38.029 102.575 37.488 51.09842       53.40021 
1 1 1 -8  38 13 o 175.989 19.395 6.7803  1.4215 4.3319  2.7527  7.6707  1.6600 135.230 42.851 186.687 21.382 -51.45764      47.88889 
1 1 1 -8  38 14 o 172.867 19.903 6.5697  1.4305 5.4236  2.6054  7.0643  1.7115 149.601 40.244 178.197 23.232 -28.59656      46.46872 
1 1 1 -8  38 15 o 154.714 21.930 5.3323  1.3966 7.6567  2.2351  3.8435  1.7889 182.527 29.955 127.580 32.897 54.94752       44.49179 
1 1 1 -8  38 16 o 218.731 17.234 10.412  1.5835 9.7269  2.6455  10.795  1.9767 205.126 31.458 221.166 21.371 -16.04057      38.03060 
1 1 1 -8  38 17 o 73.994  26.951 1.0459  1.0953 0.6834  2.0235  1.1961  1.3027 83.491  34.702 79.474  29.323 4.017471       45.43220 
1 1 1 -8  38 18 o 150.315 21.022 5.0502  1.3016 6.3182  2.2432  4.4066  1.5981 162.580 33.687 137.404 28.402 25.17627       44.06263 
1 1 1 -8  38 19 o 90.174  27.488 1.8735  1.1448 -0.7797 2.0116  3.1443  1.3922 69.371  31.498 115.250 28.648 -45.87872      42.57743 
1 1 1 -8  38 20 o 76.345  28.157 1.1373  1.2009 0.1364  2.1165  1.6125  1.4584 78.385  34.108 87.096  31.183 -8.711159      46.21420 
1 1 1 -8  38 21 o 77.396  29.386 1.1048  1.3281 -0.7433 2.2235  2.1299  1.6560 72.946  33.119 96.663  33.338 -23.71767      46.99203 
1 1 1 -8  39 1  o 104.849 36.693 2.2650  2.0096 4.0168  3.2421  1.1720  2.5610 134.854 46.639 98.122  39.710 36.73203       61.25403 
1 1 1 -8  39 2  o 167.751 39.286 6.5972  2.7419 0.0000  0.0000  6.5972  2.7419 ?       ?      167.751 39.286 0.000000       39.28623 
1 1 1 -8  39 3  o 237.749 21.899 12.321  2.1801 14.436  3.2969  10.678  2.9061 253.944 31.320 217.425 32.564 36.51878       45.18123 
1 1 1 -8  39 4  o 356.793 17.725 27.336  2.6783 27.985  4.3681  26.945  3.3904 355.704 29.257 351.918 22.873 3.785828       37.13689 
1 1 1 -8  39 5  o 155.273 30.653 5.4878  1.9441 7.3559  3.2680  4.4646  2.4186 175.559 44.033 138.358 39.387 37.20107       59.07830 
1 1 1 -8  39 6  o 209.457 23.349 9.6319  2.0359 8.1961  3.4073  10.429  2.5390 185.261 44.071 216.292 28.406 -31.03075      52.43176 
1 1 1 -8  39 7  o 120.966 37.036 3.3390  2.0752 0.0000  0.0000  3.3390  2.0752 ?       ?      120.966 37.036 0.000000       37.03558 
1 1 1 -8  39 8  o 273.931 19.993 16.283  2.3033 15.205  3.2717  17.342  3.2432 260.675 30.196 279.704 27.746 -19.02869      41.00769 
1 1 1 -8  39 9  f 147.544 27.547 4.9271  1.6579 7.8359  2.3654  2.1180  2.3245 185.609 31.199 105.357 39.111 80.25259       50.03077 
1 1 1 -8  39 10 o 125.432 31.678 3.6442  1.6831 6.0260  2.3634  1.1931  2.3976 160.419 35.708 95.491  38.501 64.92843       52.51044 
1 1 1 -8  39 11 o 135.819 25.355 4.1706  1.4047 5.6047  2.4802  3.4932  1.7045 153.360 38.302 122.500 32.370 30.86021       50.14810 
1 1 1 -8  39 12 o 88.426  32.312 1.5109  1.5762 0.0170  2.4685  2.5394  2.0481 84.977  36.906 107.755 37.080 -22.77850      52.31604 
1 1 1 -8  39 13 o 115.061 28.467 3.0691  1.3795 3.2942  2.8517  3.0003  1.5762 121.693 43.600 113.385 31.630 8.308121       53.86489 
1 1 1 -8  39 14 o 140.317 25.490 4.4823  1.4589 4.6941  2.7129  4.3961  1.7304 138.473 42.337 137.106 30.580 1.366623       52.22552 
1 1 1 -8  39 15 o 133.016 24.691 4.0281  1.3397 3.8007  2.1770  4.1668  1.6996 125.807 37.807 133.195 30.753 -7.387947      48.73532 
1 1 1 -8  39 16 o 161.564 22.547 5.8477  1.5006 3.6116  2.4521  7.1866  1.8974 122.972 40.565 177.940 25.943 -54.96830      48.15157 
1 1 1 -8  39 17 o 91.587  27.163 1.9305  1.1292 -3.5692 2.3662  3.5525  1.2850 60.383  29.333 124.107 25.308 -63.72419      38.74178 
1 1 1 -8  39 18 o 92.831  27.635 2.0015  1.1672 1.8697  1.9925  2.0704  1.4402 95.955  36.093 95.032  31.076 0.9237976      47.62833 
1 1 1 -8  39 19 o 86.098  28.953 1.6558  1.2479 6.5239  2.1125  -0.9531 1.5465 165.155 31.351 58.358  26.913 106.7968       41.31844 
1 1 1 -8  39 20 o 105.204 28.400 2.6379  1.2948 3.0817  2.2751  2.4253  1.5747 112.825 39.067 101.122 32.449 11.70255       50.78514 
1 1 1 -8  40 1  o 344.225 23.565 25.928  3.4145 25.004  4.2947  27.514  5.6295 334.312 30.676 345.190 39.205 -10.87875      49.78024 
1 1 1 -8  40 2  o 202.732 49.082 10.110  4.1688 0.0000  0.0000  10.110  4.1688 ?       ?      202.732 49.082 0.000000       49.08188 
1 1 1 -8  40 3  o 459.963 16.821 45.448  3.2765 42.093  5.1868  47.675  4.2266 436.243 28.227 469.095 21.276 -32.85236      35.34693 
1 1 1 -8  40 4  o 216.804 24.181 10.366  2.1823 14.593  3.6979  8.1073  2.7032 252.457 35.574 187.155 35.404 65.30199       50.18923 
1 1 1 -8  40 5  o 450.576 16.481 43.596  3.1447 40.752  5.1977  45.239  3.9496 428.694 28.797 457.292 20.395 -28.59805      35.28782 
1 1 1 -8  40 6  o 116.565 33.953 3.1274  1.7782 0.5791  3.3311  4.1430  2.1029 102.234 43.612 133.010 36.313 -30.77618      56.75097 
1 1 1 -8  40 7  o 364.375 16.309 28.524  2.5166 19.346  3.9182  34.970  3.2833 292.612 32.149 402.298 19.272 -109.6862      37.48268 
1 1 1 -8  40 8  o 194.036 19.837 8.2312  1.6072 5.4045  2.7558  9.6882  1.9785 149.851 41.829 209.723 22.635 -59.87193      47.56071 
1 1 1 -8  40 9  o 106.181 28.932 2.5915  1.3364 -0.7175 2.4390  4.0112  1.5976 78.949  35.365 131.876 29.360 -52.92630      45.96371 
1 1 1 -8  40 10 o 183.132 23.637 7.4636  1.7904 5.6387  2.5530  9.2295  2.5114 152.957 39.225 201.008 30.457 -48.05052      49.66164 
1 1 1 -8  40 11 o 156.422 26.745 5.5632  1.7080 7.9158  2.4664  3.3951  2.3677 184.490 32.768 120.890 39.861 63.60025       51.60058 
1 1 1 -8  40 12 o 143.094 29.799 4.7595  1.7471 2.5200  2.8048  6.1794  2.2333 112.315 42.689 161.821 33.685 -49.50573      54.37837 
1 1 1 -8  40 13 o 248.121 21.358 13.572  2.2224 13.786  3.1412  13.357  3.1446 244.955 30.973 240.685 31.616 4.270126       44.25940 
1 1 1 -8  40 14 o 51.095  23.799 -1.0451 1.2558 0.4541  2.3793  -1.6241 1.4786 86.537  36.886 52.392  24.841 34.14528       44.47110 
1 1 1 -8  40 15 o 137.447 24.279 4.3009  1.3615 5.5716  2.2415  3.5579  1.7140 151.853 35.492 122.167 32.545 29.68622       48.15455 
1 1 1 -8  40 16 o 228.524 17.247 11.415  1.6568 9.4811  2.7520  12.514  2.0749 199.614 33.759 237.675 20.825 -38.06061      39.66515 
1 1 1 -8  40 17 f 98.521  27.553 2.2801  1.1945 5.1366  2.2313  1.1325  1.4143 143.845 36.553 79.235  30.266 64.61009       47.45708 
1 1 1 -8  40 18 o 120.046 27.656 3.4150  1.3770 4.1680  3.2680  3.2524  1.5184 128.057 46.566 116.140 30.486 11.91716       55.65790 
1 1 1 -8  40 19 o 66.628  26.700 0.6068  1.1454 0.4747  2.1368  0.6601  1.3569 81.408  34.834 71.179  28.870 10.22865       45.24280 
1 1 1 -8  40 20 o 152.503 21.648 5.2688  1.3589 5.6745  2.4232  5.0827  1.6412 149.200 38.190 147.009 27.369 2.190506       46.98475 
1 1 1 -8  41 1  o 116.251 40.599 2.9702  2.4597 0.0000  0.0000  2.9702  2.4597 ?       ?      116.251 40.599 0.000000       40.59927 
1 1 1 -8  41 2  f 152.851 51.214 5.7246  3.9044 0.0000  0.0000  5.7246  3.9044 ?       ?      152.851 51.214 0.000000       51.21380 
1 1 1 -8  41 3  o 178.385 34.842 7.4324  2.5377 10.025  3.3178  3.7765  3.9395 205.411 39.575 133.768 50.652 71.64250       64.27947 
1 1 1 -8  41 4  o 87.956  35.847 0.9026  2.1041 4.4175  2.8431  -3.3534 3.1285 136.341 43.586 75.327  35.837 61.01460       56.42682 
1 1 1 -8  41 5  o 296.586 23.171 19.345  2.8872 24.177  3.9441  13.767  4.2379 328.664 28.623 238.880 43.494 89.78435       52.06689 
1 1 1 -8  41 6  f 75.697  32.793 -0.0272 1.9390 0.7413  2.4316  -1.3694 3.2136 90.893  37.932 86.750  39.551 4.143044       54.80072 
1 1 1 -8  41 7  o 187.542 22.903 7.8026  1.7812 12.023  2.9862  5.4714  2.2192 229.240 31.600 152.049 35.165 77.19032       47.27730 
1 1 1 -8  41 8  o 277.635 17.293 16.711  2.0231 12.862  3.4975  18.647  2.4802 234.158 36.456 292.130 20.171 -57.97238      41.66438 
1 1 1 -8  41 9  o 90.130  28.839 1.8046  1.2445 2.0748  2.5028  1.7159  1.4344 105.029 40.229 89.974  31.028 15.05567       50.80419 
1 1 1 -8  41 10 o 144.158 23.230 4.6750  1.3700 9.3570  2.6343  2.9392  1.6040 200.847 32.048 112.024 32.137 88.82232       45.38563 
1 1 1 -8  41 11 o 114.448 29.855 3.0676  1.4622 1.8940  2.6838  3.5629  1.7436 104.328 41.172 122.585 32.900 -18.25659      52.70271 
1 1 1 -8  41 12 o 94.927  33.472 1.9168  1.6743 1.6263  3.5728  1.9986  1.8952 110.197 45.983 98.002  35.489 12.19456       58.08498 
1 1 1 -8  41 13 o 227.745 22.293 11.522  2.1226 11.877  3.1199  11.215  2.8961 224.805 33.819 219.391 32.122 5.414871       46.64300 
1 1 1 -8  41 14 o 119.611 34.655 3.4404  1.8569 4.8203  2.5825  1.9633  2.6719 138.883 41.050 104.014 41.070 34.86852       58.06815 
1 1 1 -8  41 15 o 199.305 24.090 8.9762  1.9920 11.479  2.6396  5.6651  3.0361 222.990 28.612 147.669 44.710 75.32088       53.08111 
1 1 1 -8  41 16 o 183.795 24.531 7.7014  1.8617 10.401  2.4919  4.2907  2.8010 211.522 28.547 129.682 43.378 81.83955       51.92859 
1 1 1 -8  41 17 o 70.243  30.415 0.1036  1.6664 0.6877  2.3599  -0.4772 2.3533 86.479  36.795 76.850  34.557 9.629211       50.47855 
1 1 1 -8  41 18 o 82.993  31.828 1.2951  1.5679 3.3325  2.2976  -0.4807 2.1449 115.878 39.284 73.301  32.974 42.57705       51.28857 
1 1 1 -8  41 19 o 230.409 21.079 11.898  2.0340 13.121  2.8566  10.641  2.8969 236.373 29.155 209.139 33.866 27.23372       44.68713 
1 1 1 -8  42 1  o 98.014  40.196 1.2291  2.6663 0.0000  0.0000  1.2291  2.6663 ?       ?      98.014  40.196 0.000000       40.19558 
1 1 1 -8  42 2  o 141.398 39.250 4.8478  2.4335 0.0000  0.0000  4.8478  2.4335 ?       ?      141.398 39.250 0.000000       39.25027 
1 1 1 -8  42 3  o 120.989 47.903 2.7285  3.6440 0.0000  0.0000  2.7285  3.6440 ?       ?      120.989 47.903 0.000000       47.90293 
1 1 1 -8  42 4  o 604.120 20.390 79.544  5.2166 0.0000  0.0000  79.544  5.2166 ?       ?      604.120 20.390 0.000000       20.39000 
1 1 1 -8  42 5  o 127.275 34.546 3.8489  1.9097 2.7526  3.1907  4.4608  2.3837 117.722 45.340 135.777 39.243 -18.05531      59.96444 
1 1 1 -8  42 6  o 119.171 36.322 3.3547  1.9989 4.3993  2.4786  1.4112  3.3808 134.643 40.314 107.278 44.744 27.36552       60.22686 
1 1 1 -8  42 7  o 160.207 31.396 5.9941  2.0539 4.0507  2.7113  8.6112  3.1463 129.850 42.647 187.604 40.767 -57.75426      58.99731 
1 1 1 -8  42 8  o 191.199 24.792 8.2153  1.9601 4.6605  2.8836  11.269  2.6726 137.599 43.885 222.143 29.109 -84.54422      52.66117 
1 1 1 -8  42 9  o 145.381 28.059 4.8822  1.6650 1.8351  2.4132  7.6502  2.3001 100.904 39.271 181.409 31.056 -80.50526      50.06681 
1 1 1 -8  42 10 o 125.174 31.289 3.7059  1.6541 7.0357  2.4987  1.1085  2.2068 171.335 35.600 90.466  36.773 80.86921       51.18206 
1 1 1 -8  42 11 o 89.206  33.050 1.5579  1.6582 -1.1739 2.4430  3.8919  2.2581 74.789  34.245 126.586 38.610 -51.79703      51.60838 
1 1 1 -8  42 12 o 93.010  34.341 1.7442  1.7873 4.6970  2.8081  -0.2665 2.3172 136.883 43.270 79.082  35.003 57.80180       55.65498 
1 1 1 -8  42 13 o 192.824 27.107 8.5290  2.1524 3.4065  3.7330  11.080  2.6345 124.474 48.732 218.942 29.137 -94.46841      56.77829 
1 1 1 -8  42 14 o 106.073 34.445 2.6636  1.7705 2.9490  3.4206  2.5591  2.0693 117.663 46.467 105.653 37.216 12.01019       59.53325 
1 1 1 -8  42 15 o 75.649  30.962 0.7112  1.5780 -0.4753 2.2354  1.8897  2.2280 75.124  33.739 97.661  37.810 -22.53627      50.67500 
1 1 1 -8  42 16 o 153.243 28.609 5.5615  1.7883 4.7016  2.5349  6.4134  2.5233 134.534 40.880 158.913 38.006 -24.37872      55.81791 
1 1 1 -8  42 17 o 91.654  31.467 1.9134  1.4746 0.6031  2.5336  2.5846  1.8133 87.521  37.700 103.900 34.901 -16.37883      51.37495 
1 1 1 -8  42 18 o 155.105 36.894 6.0943  2.3881 6.0943  2.3881  0.0000  0.0000 155.105 36.894 ?       ?      0.000000       36.89383 
1 1 1 -8  43 1  o 138.691 38.414 4.6855  2.3336 3.4953  2.9781  6.5787  3.7561 123.691 44.531 159.317 50.001 -35.62515      66.95581 
1 1 1 -8  43 2  o 191.164 28.097 8.3441  2.2068 13.198  3.6069  5.4399  2.7898 235.372 37.439 147.905 42.369 87.46719       56.54070 
1 1 1 -8  43 3  o 135.943 40.991 4.5293  2.5560 1.7680  3.5394  7.5385  3.6949 111.197 46.030 170.536 48.729 -59.33969      67.03217 
1 1 1 -8  43 4  o 65.419  29.866 -0.9438 1.8400 0.0000  0.0000  -0.9438 1.8400 ?       ?      65.419  29.866 0.000000       29.86556 
1 1 1 -8  43 5  o 191.635 31.535 8.5443  2.4702 0.0000  0.0000  8.5443  2.4702 ?       ?      191.635 31.535 0.000000       31.53450 
1 1 1 -8  43 6  o 171.449 32.736 6.9236  2.2901 0.0000  0.0000  6.9236  2.2901 ?       ?      171.449 32.736 0.000000       32.73556 
1 1 1 -8  43 7  o 203.473 29.169 9.5124  2.4415 0.0000  0.0000  9.5124  2.4415 ?       ?      203.473 29.169 0.000000       29.16850 
1 1 1 -8  43 8  o 105.471 29.742 2.6029  1.3859 4.3711  4.5363  2.4209  1.4555 137.771 53.781 102.101 30.966 35.66971       62.05813 
1 1 1 -8  43 9  o 134.343 26.277 4.1616  1.4414 10.145  4.5840  3.5050  1.5184 192.439 54.030 121.945 29.683 70.49445       61.64695 
1 1 1 -8  43 10 f 75.626  27.554 1.1115  1.1450 -0.3323 2.1504  1.6828  1.3528 75.707  33.604 88.018  30.142 -12.31103      45.14196 
1 1 1 -8  43 11 o 281.641 16.074 17.246  1.9093 19.416  3.1837  16.028  2.3859 292.961 25.929 268.939 21.119 24.02219       33.44091 
1 1 1 -8  43 12 o 104.115 36.308 2.4819  1.9669 2.7669  3.3990  2.3385  2.4116 115.990 46.157 105.010 39.663 10.98024       60.85695 
1 1 1 -8  43 13 o 87.787  28.035 1.7642  1.1765 -0.9047 2.6458  2.4220  1.3135 78.622  35.862 101.048 29.109 -22.42625      46.18903 
1 1 1 -8  43 14 o 103.943 31.577 2.5971  1.5126 5.6007  4.3643  2.1871  1.6126 141.908 53.410 97.124  32.911 44.78468       62.73618 
1 1 1 -8  43 15 o 185.873 25.026 7.9558  1.9199 0.0000  0.0000  7.9558  1.9199 ?       ?      185.873 25.026 0.000000       25.02590 
1 1 1 -8  43 16 o 81.755  31.562 1.2398  1.5491 0.0000  0.0000  1.2398  1.5491 ?       ?      81.755  31.562 0.000000       31.56234 
1 1 1 -8  43 17 o 168.094 23.552 6.4790  1.6305 0.0000  0.0000  6.4790  1.6305 ?       ?      168.094 23.552 0.000000       23.55176 
1 1 1 -8  44 1  o 279.779 25.117 17.575  2.9443 13.522  3.8344  23.397  4.5960 235.327 39.901 315.112 35.034 -79.78493      53.09859 
1 1 1 -8  44 2  o 183.831 33.277 7.9962  2.4952 10.958  3.4900  4.8992  3.5689 211.019 40.527 139.673 48.897 71.34550       63.50862 
1 1 1 -8  44 3  o 265.344 26.398 15.908  2.9270 17.260  3.9015  14.166  4.4268 270.469 34.874 236.182 45.913 34.28720       57.65572 
1 1 1 -8  44 4  o 211.746 24.018 10.064  2.1157 10.637  3.5548  9.7490  2.6327 206.663 42.048 204.438 31.414 2.225189       52.48662 
1 1 1 -8  44 5  o 244.970 20.886 13.265  2.1460 7.8501  3.3481  17.041  2.7959 174.830 44.966 275.976 24.166 -101.1460      51.04817 
1 1 1 -8  44 6  o 155.491 26.558 5.5557  1.6860 4.2840  2.5839  6.4986  2.2249 131.466 41.501 165.279 32.944 -33.81255      52.98738 
1 1 1 -8  44 7  o 247.001 19.650 13.437  2.0384 12.482  3.2630  14.048  2.6105 229.067 34.725 249.675 25.026 -20.60869      42.80333 
1 1 1 -8  44 8  o 261.454 19.454 15.050  2.1386 23.052  5.9133  13.846  2.2939 297.776 48.566 249.432 21.939 48.34419       53.29131 
1 1 1 -8  44 9  o 135.605 27.310 4.2940  1.5141 6.7434  5.0052  4.0473  1.5886 155.060 57.425 130.697 29.411 24.36237       64.51862 
1 1 1 -8  44 10 o 72.436  29.752 0.5897  1.4636 -1.1262 4.4165  0.8014  1.5513 99.225  45.658 76.596  30.939 22.62846       55.15319 
1 1 1 -8  44 11 o 119.935 37.552 3.5741  2.1200 3.7536  4.7589  3.5296  2.3679 129.339 53.443 119.290 39.884 10.04810       66.68510 
1 1 1 -8  44 12 o 145.111 27.230 4.9489  1.6119 12.408  4.7955  3.9989  1.7115 206.574 54.155 128.074 31.720 78.49960       62.76095 
1 1 1 -8  44 13 o 153.707 24.070 5.4411  1.5153 7.8800  4.5829  5.1418  1.6057 161.188 55.467 148.077 26.582 13.11072       61.50734 
1 1 1 -8  44 14 o 102.370 30.727 2.5315  1.4386 2.0193  4.2758  2.5969  1.5277 112.982 48.820 103.507 31.791 9.474747       58.25845 
1 1 1 -8  44 15 o 65.722  28.046 0.2232  1.3783 -3.4458 3.9085  0.7443  1.4730 81.869  39.249 73.849  30.033 8.019737       49.42116 
1 1 1 -8  45 1  o 184.183 27.437 7.8391  2.0748 7.2181  3.2905  8.2490  2.6731 165.355 45.541 184.104 35.572 -18.74956      57.78743 
1 1 1 -8  45 2  o 117.607 35.823 3.3672  1.9449 6.0987  3.1120  1.6166  2.4913 152.485 45.060 97.874  39.322 54.61146       59.80511 
1 1 1 -8  45 3  o 180.539 45.933 8.5831  3.5203 8.5831  3.5203  0.0000  0.0000 180.539 45.933 ?       ?      0.000000       45.93270 
1 1 1 -8  45 4  o 520.144 20.441 59.613  4.5026 59.406  6.0731  59.867  6.7097 509.677 28.247 507.298 31.386 2.379547       42.22521 
1 1 1 -8  45 5  o 166.883 26.233 6.4138  1.7928 1.1467  2.7619  10.249  2.3568 96.150  40.299 211.259 26.957 -115.1089      48.48450 
1 1 1 -8  45 6  o 77.591  31.158 0.8624  1.5634 1.6223  2.6608  0.4617  1.9321 99.339  40.379 78.744  33.391 20.59492       52.39651 
1 1 1 -8  45 7  o 98.114  31.939 2.2420  1.5219 3.7330  2.4554  1.3118  1.9394 122.421 40.603 88.116  34.928 34.30495       53.55915 
1 1 1 -8  45 8  o 102.695 29.925 2.5133  1.3811 1.1361  2.3256  3.2636  1.7166 90.521  37.378 115.642 33.266 -25.12132      50.03749 
1 1 1 -8  45 9  o 55.602  24.424 -0.1488 1.1081 0.6335  2.1447  -0.4336 1.2943 83.074  35.201 57.050  25.643 26.02404       43.55078 
1 1 1 -8  45 10 o 189.101 20.238 8.0036  1.5955 10.764  2.6849  6.4967  1.9838 212.797 30.680 165.343 29.410 47.45389       42.49932 
1 1 1 -8  45 11 o 205.214 24.061 9.6307  2.0514 9.3859  2.9026  9.8749  2.8995 193.619 36.744 199.635 35.601 -6.016281      51.16237 
1 1 1 -8  45 12 o 98.510  29.631 2.3270  1.3367 3.8492  2.7217  1.8430  1.5346 122.088 42.703 90.631  32.035 31.45643       53.38350 
1 1 1 -8  45 13 o 52.398  23.709 -0.4637 1.1279 -1.7346 2.5584  -0.1570 1.2567 71.384  33.484 58.778  25.908 12.60686       42.33661 
1 1 1 -8  45 14 o 165.024 23.084 6.2455  1.5691 2.9753  2.9778  7.5024  1.8462 112.582 43.677 180.052 24.876 -67.46996      50.26476 
1 1 1 -8  46 1  o 275.060 22.015 16.974  2.5429 14.172  3.9786  18.908  3.3064 235.491 41.406 285.904 27.653 -50.41310      49.79094 
1 1 1 -8  46 2  o 93.505  35.154 1.8122  1.8896 2.5962  3.0956  1.3466  2.3857 111.102 44.100 93.029  38.072 18.07308       58.26019 
1 1 1 -8  46 3  o 161.444 36.998 6.5443  2.4754 5.4277  3.3532  7.8816  3.6697 141.426 47.461 168.301 48.705 -26.87526      68.00500 
1 1 1 -8  46 4  o 79.574  33.662 0.5581  1.9562 0.3377  3.0651  0.7096  2.5409 92.140  40.544 88.846  38.000 3.294067       55.56855 
1 1 1 -8  46 5  o 75.033  31.579 0.4984  1.7074 -1.0048 2.3910  2.0625  2.4390 73.652  33.781 100.931 39.425 -27.27972      51.91784 
1 1 1 -8  46 6  o 172.583 30.360 7.1131  2.1379 6.6362  2.9387  7.6492  3.1160 158.095 42.830 169.713 43.234 -11.61819      60.85695 
1 1 1 -8  46 7  o 236.198 18.817 12.370  1.8666 10.515  3.1779  13.347  2.3064 204.222 38.147 242.992 22.675 -38.76952      44.37736 
1 1 1 -8  46 8  o 110.729 28.993 2.9586  1.3756 2.5813  2.4201  3.1387  1.6719 106.200 39.811 112.853 32.938 -6.653069      51.67038 
1 1 1 -8  46 9  o 81.922  28.313 1.4825  1.1947 1.5816  2.3200  1.4467  1.3937 94.035  37.887 83.085  30.380 10.94954       48.56314 
1 1 1 -8  46 10 o 90.608  29.490 1.9202  1.2975 0.1824  2.3908  2.6457  1.5448 81.726  35.888 104.165 31.964 -22.43921      48.05907 
1 1 1 -8  46 11 o 107.199 34.281 2.8352  1.7587 -2.0566 3.3756  4.6578  2.0605 81.021  38.148 135.373 35.503 -54.35191      52.11234 
1 1 1 -8  46 12 o 132.428 26.231 4.1499  1.4191 6.7337  2.8007  3.2575  1.6460 158.888 41.257 114.529 32.454 44.35914       52.49181 
1 1 1 -8  47 1  o 201.528 27.785 9.5208  2.3082 6.0649  3.7286  11.668  2.9392 145.800 50.039 219.647 32.586 -73.84703      59.71367 
1 1 1 -8  47 2  o 157.458 31.974 6.0471  2.0593 5.4880  3.3360  6.3913  2.6175 140.663 47.338 156.840 39.446 -16.17778      61.61915 
1 1 1 -8  47 3  o 177.249 49.844 9.0101  3.8979 0.0000  0.0000  9.0101  3.8979 ?       ?      177.249 49.844 0.000000       49.84383 
1 1 1 -8  47 4  o 144.633 31.952 5.1291  1.9049 0.8633  2.9020  8.3589  2.5251 93.418  40.293 184.547 33.545 -91.12875      52.42919 
1 1 1 -8  47 5  o 157.195 28.559 5.8851  1.8311 3.9371  2.7884  7.3623  2.4281 123.008 43.212 172.168 34.504 -49.15988      55.29726 
1 1 1 -8  47 6  o 94.460  34.741 1.9752  1.8263 3.0685  2.6035  0.9162  2.5625 112.240 41.446 89.990  38.317 22.25071       56.44432 
1 1 1 -8  47 7  o 143.347 32.503 5.0814  1.9277 3.6087  2.7634  6.4773  2.6904 118.767 42.877 156.672 40.315 -37.90514      58.85322 
1 1 1 -8  47 8  o 116.750 34.965 3.4372  1.8643 0.9355  2.5999  6.0851  2.6748 90.363  38.538 151.209 40.819 -60.84691      56.13701 
1 1 1 -8  47 9  o 88.005  28.068 1.8143  1.1796 2.8855  2.2839  1.4247  1.3775 108.609 39.007 82.299  30.186 26.30937       49.32318 
1 1 1 -8  47 10 o 111.356 29.452 3.0264  1.4103 1.8800  2.6995  3.4567  1.6539 99.667  40.610 117.861 32.215 -18.19414      51.83598 
1 1 1 -8  48 1  o 82.893  34.391 0.9065  1.9823 -0.5463 3.2514  1.7660  2.5009 87.542  39.862 97.326  39.293 -9.784515      55.97285 
1 1 1 -8  48 2  o 190.345 26.404 8.4615  2.0711 5.8848  3.4605  9.8995  2.5852 143.788 48.215 202.649 31.118 -58.86122      57.38463 
1 1 1 -8  48 3  o 249.914 44.930 16.801  4.5804 0.0000  0.0000  16.801  4.5804 ?       ?      249.914 44.930 0.000000       44.92955 
1 1 1 -8  48 4  f 215.758 23.066 10.625  2.0749 10.589  3.1262  10.654  2.7741 204.091 37.553 209.156 32.364 -5.065201      49.57497 
1 1 1 -8  48 5  o 334.014 18.267 24.712  2.5742 25.194  4.0782  24.393  3.3189 325.608 29.909 326.532 24.172 -0.9239502     38.45615 
1 1 1 -8  48 6  o 132.750 29.889 4.2970  1.6398 3.4996  2.6706  4.7796  2.0777 116.893 42.158 136.817 35.539 -19.92430      55.13909 
1 1 1 -8  48 7  o 154.566 26.311 5.6307  1.6605 3.7200  2.9505  6.5164  2.0089 119.692 44.136 164.173 29.999 -44.48097      53.36630 
1 1 1 -7  0  1  o 215.171 36.032 10.685  3.0066 0.0000  0.0000  10.685  3.0066 215.171 36.032 215.171 36.032 0.000000       0.000000 
1 1 1 -7  0  2  o 256.229 22.352 14.276  2.3830 16.275  3.3490  12.226  3.3915 271.344 30.090 230.342 37.835 0.000000       0.000000 
1 1 1 -7  0  3  o 142.454 27.024 4.7556  1.4595 4.0195  2.0300  5.5431  2.0999 118.464 43.692 148.081 38.753 0.000000       0.000000 
1 1 1 -7  0  4  o 168.773 24.198 6.4207  1.6264 7.1646  2.2714  5.6380  2.3298 173.748 34.800 146.460 43.210 0.000000       0.000000 
1 1 1 -7  0  5  o 301.455 21.684 19.620  2.7353 20.996  3.8284  18.184  3.9095 309.464 29.850 286.002 33.478 0.000000       0.000000 
1 1 1 -7  0  6  o 223.909 33.678 11.408  2.9803 0.0000  0.0000  11.408  2.9803 223.909 33.678 223.909 33.678 0.000000       0.000000 
1 1 1 -7  0  7  o 64.522  34.213 1.2838  1.2575 1.2838  1.2575  0.0000  0.0000 64.522  34.213 64.522  34.213 0.000000       0.000000 
1 1 1 -7  0  8  o 797.453 30.297 136.305 10.198 136.305 10.198  0.0000  0.0000 797.453 30.297 797.453 30.297 0.000000       0.000000 
1 1 1 -7  0  9  o 279.059 20.097 16.799  2.3467 18.349  3.1309  14.812  3.5449 290.160 25.957 256.740 34.324 0.000000       0.000000 
1 1 1 -7  0  10 o 283.600 19.146 17.309  2.2754 17.594  2.9526  16.891  3.5704 284.373 24.960 276.198 31.594 0.000000       0.000000 
1 1 1 -7  0  11 o 1003.21 21.297 214.050 9.0386 213.526 11.786  214.797 14.084 1000.41 27.867 1001.79 33.282 0.000000       0.000000 
1 1 1 -7  0  12 f 339.837 16.203 24.657  2.3198 25.668  2.7791  22.334  4.2128 346.243 19.086 319.197 31.896 0.000000       0.000000 
1 1 1 -7  0  13 o 447.497 16.231 42.625  3.0668 44.518  3.6990  38.460  5.4849 456.909 19.194 421.811 31.093 0.000000       0.000000 
1 1 1 -7  0  14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  0  15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  0  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  0  17 o 813.457 22.356 140.701 7.6882 0.0000  0.0000  140.701 7.6882 813.457 22.356 813.457 22.356 0.000000       0.000000 
1 1 1 -7  0  18 o 798.346 18.419 135.364 6.2197 0.0000  0.0000  135.364 6.2197 798.346 18.419 798.346 18.419 0.000000       0.000000 
1 1 1 -7  0  19 o 623.455 22.912 82.839  6.0308 0.0000  0.0000  82.839  6.0308 623.455 22.912 623.455 22.912 0.000000       0.000000 
1 1 1 -7  0  20 o 576.503 19.478 70.755  4.7432 0.0000  0.0000  70.755  4.7432 576.503 19.478 576.503 19.478 0.000000       0.000000 
1 1 1 -7  0  21 o 1107.51 34.602 262.248 16.193 0.0000  0.0000  262.248 16.193 1107.51 34.602 1107.51 34.602 0.000000       0.000000 
1 1 1 -7  0  22 o 741.042 32.078 117.645 10.024 0.0000  0.0000  117.645 10.024 741.042 32.078 741.042 32.078 0.000000       0.000000 
1 1 1 -7  0  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  0  24 f 308.251 32.247 20.935  4.1042 0.0000  0.0000  20.935  4.1042 308.251 32.247 308.251 32.247 0.000000       0.000000 
1 1 1 -7  0  25 o 658.276 32.370 93.393  8.9742 0.0000  0.0000  93.393  8.9742 658.276 32.370 658.276 32.370 0.000000       0.000000 
1 1 1 -7  0  26 o 177.044 44.428 7.8871  2.8813 0.0000  0.0000  7.8871  2.8813 177.044 44.428 177.044 44.428 0.000000       0.000000 
1 1 1 -7  0  27 o 347.645 33.400 26.679  4.8130 0.0000  0.0000  26.679  4.8130 347.645 33.400 347.645 33.400 0.000000       0.000000 
1 1 1 -7  0  28 o 147.785 48.240 6.0338  2.6737 0.0000  0.0000  6.0338  2.6737 147.785 48.240 147.785 48.240 0.000000       0.000000 
1 1 1 -7  0  29 o 59.273  36.528 0.6337  1.7906 0.0000  0.0000  0.6337  1.7906 59.273  36.528 59.273  36.528 0.000000       0.000000 
1 1 1 -7  0  30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  0  31 o 269.291 36.015 16.675  3.9012 0.0000  0.0000  16.675  3.9012 269.291 36.015 269.291 36.015 0.000000       0.000000 
1 1 1 -7  0  32 o 108.601 44.886 3.6660  2.0493 0.0000  0.0000  3.6660  2.0493 108.601 44.886 108.601 44.886 0.000000       0.000000 
1 1 1 -7  1  1  o 322.265 17.829 22.180  2.4238 21.390  2.9454  23.838  4.2659 315.713 22.170 331.431 30.743 -15.71744      37.90351 
1 1 1 -7  1  2  o 240.323 15.551 12.333  1.5742 12.419  2.2138  12.244  2.2389 240.166 22.012 238.375 22.442 1.790543       31.43524 
1 1 1 -7  1  3  o 772.495 15.930 126.931 5.2112 124.067 7.3282  129.860 7.4121 761.959 22.710 779.627 22.450 -17.66766      31.93353 
1 1 1 -7  1  4  o 744.021 15.784 117.740 4.9733 111.402 6.9828  124.265 7.0850 721.961 22.839 762.776 21.933 -40.81506      31.66488 
1 1 1 -7  1  5  o 266.873 15.183 15.192  1.7088 16.179  2.3989  14.176  2.4348 274.577 20.784 256.580 22.639 17.99692       30.73308 
1 1 1 -7  1  6  o 379.789 17.097 30.705  2.7498 29.653  3.3381  32.926  4.8501 372.095 21.272 390.163 29.574 -18.06799      36.42936 
1 1 1 -7  1  7  o 660.328 21.684 93.104  6.0637 0.0000  0.0000  93.104  6.0637 ?       ?      660.328 21.684 0.000000       21.68388 
1 1 1 -7  1  8  o 524.855 16.623 58.610  3.6949 58.616  4.5036  58.597  6.4625 524.270 20.284 521.369 29.389 2.901855       35.70977 
1 1 1 -7  1  9  o 535.269 14.289 60.874  3.2391 63.178  4.4867  58.367  4.6810 544.515 19.457 523.074 21.132 21.44092       28.72476 
1 1 1 -7  1  10 o 708.876 14.285 106.731 4.2885 105.640 5.9810  107.885 6.1523 704.196 20.056 711.559 20.417 -7.363159      28.61934 
1 1 1 -7  1  11 o 477.821 12.971 48.454  2.6247 47.479  3.6579  49.489  3.7683 472.461 18.282 482.337 18.448 -9.876160      25.97215 
1 1 1 -7  1  12 o 383.885 15.709 31.293  2.5538 29.967  3.0869  34.169  4.5463 374.875 19.512 399.133 27.056 -24.25824      33.35789 
1 1 1 -7  1  13 o 682.073 16.813 98.783  4.8565 99.860  6.0439  96.819  8.1587 685.277 20.826 673.495 28.605 11.78223       35.38312 
1 1 1 -7  1  14 o 468.294 25.225 46.820  4.9841 0.0000  0.0000  46.820  4.9841 ?       ?      468.294 25.225 0.000000       25.22477 
1 1 1 -7  1  15 o 132.902 24.889 3.8789  1.3493 0.0000  0.0000  3.8789  1.3493 ?       ?      132.902 24.889 0.000000       24.88898 
1 1 1 -7  1  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  1  17 o 864.059 22.814 158.724 8.3480 0.0000  0.0000  158.724 8.3480 ?       ?      864.059 22.814 0.000000       22.81376 
1 1 1 -7  1  18 o 845.363 14.683 151.596 5.2566 145.244 6.7629  161.290 8.3548 826.917 19.312 870.887 22.653 -43.97052      29.76777 
1 1 1 -7  1  19 o 548.614 18.100 63.927  4.2051 0.0000  0.0000  63.927  4.2051 ?       ?      548.614 18.100 0.000000       18.09960 
1 1 1 -7  1  20 o 509.491 16.171 55.116  3.4891 44.291  6.6780  59.180  4.0921 453.133 35.073 527.740 18.310 -74.60748      39.56467 
1 1 1 -7  1  21 o 294.768 21.563 18.593  2.6730 22.495  3.7917  14.738  3.7688 323.321 27.968 259.739 35.167 63.58231       44.93268 
1 1 1 -7  1  22 o 225.020 32.034 11.063  2.9664 11.063  2.9664  0.0000  0.0000 225.020 32.034 ?       ?      0.000000       32.03356 
1 1 1 -7  1  23 o 415.356 30.910 37.190  5.3982 0.0000  0.0000  37.190  5.3982 ?       ?      415.356 30.910 0.000000       30.91042 
1 1 1 -7  1  24 o 356.006 22.109 27.152  3.3169 30.739  4.7461  23.728  4.6372 377.124 29.965 330.102 33.642 47.02237       45.05173 
1 1 1 -7  1  25 o 118.335 29.845 3.1351  1.4954 2.0929  2.1080  4.1910  2.1218 105.134 37.505 136.443 36.144 -31.30807      52.08698 
1 1 1 -7  1  26 o 327.231 22.699 23.068  3.1261 24.009  4.4070  22.114  4.4352 331.214 31.810 317.178 33.527 14.03510       46.21632 
1 1 1 -7  1  27 o 452.684 22.520 44.014  4.3172 42.779  6.0911  45.260  6.1200 441.703 32.797 454.771 31.981 -13.06805      45.80822 
1 1 1 -7  1  28 o 330.243 23.193 23.621  3.2231 24.772  4.5405  22.453  4.5759 334.740 32.436 317.641 34.576 17.09912       47.40879 
1 1 1 -7  1  29 o 129.724 38.855 3.8619  2.3021 3.8619  2.3021  0.0000  0.0000 129.724 38.855 ?       ?      0.000000       38.85477 
1 1 1 -7  1  30 o 189.434 36.047 8.2918  2.7862 8.2918  2.7862  0.0000  0.0000 189.434 36.047 ?       ?      0.000000       36.04739 
1 1 1 -7  1  31 o 199.392 39.868 9.4361  3.2488 0.0000  0.0000  9.4361  3.2488 ?       ?      199.392 39.868 0.000000       39.86804 
1 1 1 -7  1  32 o 185.960 26.416 7.7847  2.0219 7.5513  2.7619  8.0542  2.9679 177.962 37.813 183.110 39.438 -5.147339      54.63671 
1 1 1 -7  2  1  o 453.177 17.632 43.723  3.3839 44.036  4.1267  43.082  5.9120 454.202 21.454 446.148 31.493 8.054291       38.10622 
1 1 1 -7  2  2  o 289.645 15.341 17.888  1.8751 17.292  2.6283  18.506  2.6758 283.705 22.049 293.625 21.672 -9.919312      30.91648 
1 1 1 -7  2  3  o 521.048 15.238 57.726  3.3624 57.045  4.7072  58.435  4.8046 516.909 21.503 523.127 21.687 -6.218445      30.54053 
1 1 1 -7  2  4  o 481.344 15.096 49.261  3.0772 48.961  4.3119  49.573  4.3928 478.913 21.260 481.846 21.527 -2.932892      30.25607 
1 1 1 -7  2  5  o 447.774 14.926 42.628  2.8305 42.913  3.9548  42.328  4.0528 448.411 20.826 445.233 21.494 3.178284       29.92856 
1 1 1 -7  2  6  o 289.507 17.066 17.902  2.0831 18.584  2.5293  16.466  3.6726 294.447 20.410 274.513 32.203 19.93365       38.12647 
1 1 1 -7  2  7  o 960.792 23.253 197.350 9.4615 0.0000  0.0000  197.350 9.4615 ?       ?      960.792 23.253 0.000000       23.25330 
1 1 1 -7  2  8  o 195.270 16.779 8.1722  1.3740 8.0921  1.6484  8.3545  2.4872 193.746 20.397 194.687 31.222 -0.9410095     37.29406 
1 1 1 -7  2  9  o 855.121 15.166 155.424 5.4921 154.817 7.5592  156.103 7.9929 851.983 20.951 855.175 22.070 -3.192017      30.43075 
1 1 1 -7  2  10 o 890.675 15.000 168.544 5.6577 170.692 7.7905  166.146 8.2300 895.016 20.554 882.607 22.019 12.40881       30.12103 
1 1 1 -7  2  11 o 363.322 12.509 28.010  1.9247 28.117  2.6196  27.883  2.8373 363.697 17.008 361.576 18.593 2.121552       25.19834 
1 1 1 -7  2  12 o 403.831 15.612 34.627  2.6699 36.085  3.2965  31.847  4.5519 411.980 18.894 385.089 28.106 26.89111       33.86632 
1 1 1 -7  2  13 o 405.355 15.223 34.871  2.6133 36.730  3.2767  31.622  4.3318 415.789 18.609 384.188 26.792 31.60129       32.62101 
1 1 1 -7  2  14 o 294.757 23.930 18.606  2.9614 0.0000  0.0000  18.606  2.9614 ?       ?      294.757 23.930 0.000000       23.93032 
1 1 1 -7  2  15 o 467.047 22.573 46.369  4.4647 0.0000  0.0000  46.369  4.4647 ?       ?      467.047 22.573 0.000000       22.57311 
1 1 1 -7  2  16 o 195.966 20.226 8.2424  1.6544 0.0000  0.0000  8.2424  1.6544 ?       ?      195.966 20.226 0.000000       20.22604 
1 1 1 -7  2  17 o 519.205 19.814 57.255  4.3567 0.0000  0.0000  57.255  4.3567 ?       ?      519.205 19.814 0.000000       19.81405 
1 1 1 -7  2  18 o 427.225 12.736 38.701  2.3044 37.414  2.9937  40.572  3.6097 419.845 16.838 437.030 19.504 -17.18518      25.76633 
1 1 1 -7  2  19 o 632.388 22.018 85.068  5.8966 0.0000  0.0000  85.068  5.8966 ?       ?      632.388 22.018 0.000000       22.01780 
1 1 1 -7  2  20 o 428.780 29.887 39.481  5.3932 39.481  5.3932  0.0000  0.0000 428.780 29.887 ?       ?      0.000000       29.88743 
1 1 1 -7  2  21 o 633.034 21.599 85.307  5.7903 103.829 8.2383  67.223  8.1401 697.145 27.904 558.605 34.580 138.5403       44.43441 
1 1 1 -7  2  22 o 347.145 21.114 25.748  3.0892 22.631  4.4583  28.627  4.2845 323.180 33.040 364.933 27.935 -41.75272      43.26660 
1 1 1 -7  2  23 o 516.466 31.002 57.402  6.7494 0.0000  0.0000  57.402  6.7494 ?       ?      516.466 31.002 0.000000       31.00247 
1 1 1 -7  2  24 o 318.575 21.990 21.761  2.9485 24.652  4.2137  18.988  4.1274 337.500 29.787 294.919 33.649 42.58078       44.93899 
1 1 1 -7  2  25 o 463.133 22.033 45.873  4.3214 46.500  6.0838  45.235  6.1392 462.998 31.210 456.362 31.967 6.635651       44.67647 
1 1 1 -7  2  26 o 495.433 22.193 52.609  4.6563 55.126  6.5649  50.060  6.6052 503.411 30.943 478.861 32.768 24.54984       45.06939 
1 1 1 -7  2  27 o 293.983 23.001 18.683  2.8408 16.151  3.9852  21.299  4.0505 269.211 35.846 311.481 31.123 -42.26926      47.47228 
1 1 1 -7  2  28 o 269.108 23.420 15.731  2.6424 17.978  3.7105  13.419  3.7640 285.161 31.237 243.488 37.723 41.67323       48.97734 
1 1 1 -7  2  29 o 277.281 23.624 16.781  2.7476 19.877  3.8245  13.479  3.9499 299.049 30.631 241.583 40.008 57.46642       50.38720 
1 1 1 -7  2  30 o 69.086  28.024 0.4858  1.2786 0.4858  1.2786  0.0000  0.0000 69.086  28.024 ?       ?      0.000000       28.02375 
1 1 1 -7  2  31 o 150.865 40.484 5.4594  2.6404 0.0000  0.0000  5.4594  2.6404 ?       ?      150.865 40.484 0.000000       40.48389 
1 1 1 -7  2  32 o 205.512 25.766 9.4555  2.1932 7.9341  2.9263  11.405  3.3128 181.832 39.159 220.322 36.803 -38.48912      53.73901 
1 1 1 -7  3  1  o 756.099 15.911 121.586 5.0947 124.821 7.1541  118.257 7.2570 764.533 22.096 743.888 23.036 20.64514       31.92014 
1 1 1 -7  3  2  o 474.121 15.155 47.794  3.0429 47.028  4.2563  48.595  4.3520 469.350 21.414 477.082 21.540 -7.731995      30.37335 
1 1 1 -7  3  3  o 489.258 15.095 50.894  3.1277 49.261  4.3717  52.606  4.4766 480.340 21.491 496.416 21.294 -16.07602      30.25382 
1 1 1 -7  3  4  o 455.809 14.944 44.171  2.8846 42.809  4.0231  45.611  4.1383 447.813 21.214 462.251 21.140 -14.43848      29.94838 
1 1 1 -7  3  5  o 483.307 14.821 49.659  3.0335 51.304  4.2186  47.898  4.3653 490.385 20.313 473.565 21.767 16.82019       29.77279 
1 1 1 -7  3  6  o 771.592 17.684 126.776 5.7785 126.465 7.0001  127.441 10.238 769.619 21.478 768.960 31.438 0.6583252      38.07430 
1 1 1 -7  3  7  o 310.309 20.943 20.639  2.7361 0.0000  0.0000  20.639  2.7361 ?       ?      310.309 20.943 0.000000       20.94305 
1 1 1 -7  3  8  o 250.946 17.045 13.462  1.8007 14.440  3.1322  12.979  2.2007 257.683 29.219 245.709 21.362 11.97377       36.19521 
1 1 1 -7  3  9  o 462.832 18.884 45.623  3.7015 45.208  4.8283  46.214  5.7646 459.083 24.928 462.983 29.555 -3.899689      38.66416 
1 1 1 -7  3  10 o 905.474 16.945 174.343 6.4979 177.345 10.242  172.322 8.4062 910.433 26.564 898.883 22.083 11.55096       34.54426 
1 1 1 -7  3  11 o 601.380 14.480 76.790  3.6878 74.551  5.5216  78.594  4.9550 591.478 22.044 607.760 19.252 -16.28235      29.26699 
1 1 1 -7  3  12 o 518.168 15.799 57.013  3.4669 59.149  4.3676  53.374  5.7002 527.395 19.555 499.294 27.059 28.10092       33.38591 
1 1 1 -7  3  13 o 261.649 14.680 14.572  1.6200 12.903  2.0510  17.339  2.6417 245.594 19.890 284.648 22.088 -39.05437      29.72357 
1 1 1 -7  3  14 o 523.849 16.021 58.232  3.5542 61.595  4.7831  54.085  5.3110 538.351 20.980 504.090 24.879 34.26108       32.54381 
1 1 1 -7  3  15 o 751.720 23.568 120.161 7.5026 0.0000  0.0000  120.161 7.5026 ?       ?      751.720 23.568 0.000000       23.56756 
1 1 1 -7  3  16 o 344.605 19.524 25.297  2.8376 0.0000  0.0000  25.297  2.8376 ?       ?      344.605 19.524 0.000000       19.52395 
1 1 1 -7  3  17 o 887.830 23.126 167.605 8.6952 0.0000  0.0000  167.605 8.6952 ?       ?      887.830 23.126 0.000000       23.12633 
1 1 1 -7  3  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  3  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  3  20 f 408.376 29.000 35.802  4.9827 35.802  4.9827  0.0000  0.0000 408.376 29.000 ?       ?      0.000000       28.99982 
1 1 1 -7  3  21 o 585.946 18.823 72.996  4.6709 77.583  7.3408  69.876  6.0547 602.441 28.773 572.401 24.977 30.03937       38.10181 
1 1 1 -7  3  22 o 362.215 16.940 27.878  2.5986 27.784  4.5544  27.923  3.1641 359.018 30.237 361.609 20.749 -2.591248      36.67119 
1 1 1 -7  3  23 o 575.601 21.449 70.590  5.2284 79.123  7.3803  61.993  7.4080 607.928 28.667 536.253 32.778 71.67438       43.54480 
1 1 1 -7  3  24 o 377.574 21.531 30.516  3.4285 35.012  4.8468  26.014  4.8505 402.927 28.590 345.751 33.549 57.17618       44.07868 
1 1 1 -7  3  25 o 84.523  28.658 1.4319  1.2227 0.9065  1.5819  2.2116  1.9271 81.580  31.783 104.937 35.976 -23.35684      48.00418 
1 1 1 -7  3  26 o 235.369 23.270 12.000  2.2891 11.972  3.1557  12.031  3.3256 232.530 32.970 232.540 34.843 -0.1004028E-01 47.96878 
1 1 1 -7  3  27 o 265.392 23.224 15.254  2.5839 19.068  3.5878  11.143  3.7244 295.218 29.075 220.950 41.322 74.26860       50.52584 
1 1 1 -7  3  28 o 463.023 22.256 46.168  4.3642 52.868  6.1215  39.242  6.2235 491.565 29.543 420.318 35.290 71.24686       46.02357 
1 1 1 -7  3  29 o 476.661 32.015 50.437  6.4250 50.437  6.4250  0.0000  0.0000 476.661 32.015 ?       ?      0.000000       32.01476 
1 1 1 -7  3  30 o 371.462 22.747 30.051  3.5611 31.620  4.8972  28.289  5.1878 376.712 30.971 353.717 35.096 22.99490       46.80714 
1 1 1 -7  3  31 o 241.084 36.590 13.488  3.6183 0.0000  0.0000  13.488  3.6183 ?       ?      241.084 36.590 0.000000       36.58954 
1 1 1 -7  3  32 o 196.234 25.589 8.6265  2.0759 9.8467  2.7786  7.0852  3.1229 206.426 32.889 169.655 43.316 36.77065       54.38699 
1 1 1 -7  4  1  f 298.449 17.552 19.026  2.2087 19.686  2.6922  17.666  3.8625 303.027 21.111 284.473 32.653 18.55405       38.88313 
1 1 1 -7  4  2  o 275.217 15.152 16.152  1.7591 14.956  2.4562  17.412  2.5206 263.705 22.201 284.881 21.042 -21.17618      30.58802 
1 1 1 -7  4  3  o 161.348 16.071 5.5922  1.0835 4.9619  1.5186  6.2458  1.5464 150.349 24.710 169.620 22.049 -19.27118      33.11683 
1 1 1 -7  4  4  o 198.624 15.217 8.4374  1.2703 7.2781  1.7576  9.7051  1.8380 183.090 23.188 212.278 20.709 -29.18716      31.08881 
1 1 1 -7  4  5  o 301.129 14.600 19.275  1.8618 18.602  2.5741  20.013  2.6961 294.533 20.770 305.515 20.965 -10.98209      29.51175 
1 1 1 -7  4  6  f 307.571 19.811 20.254  2.5667 21.305  3.4866  19.010  3.7925 314.166 26.452 295.621 30.743 18.54532       40.55653 
1 1 1 -7  4  7  o 361.388 16.186 27.781  2.4771 28.580  3.9393  27.259  3.1858 364.407 25.691 356.780 21.180 7.627014       33.29605 
1 1 1 -7  4  8  o 536.898 20.887 61.492  4.7491 0.0000  0.0000  61.492  4.7491 ?       ?      536.898 20.887 0.000000       20.88709 
1 1 1 -7  4  9  o 378.614 15.365 30.468  2.4636 29.300  3.8276  31.294  3.2190 369.404 24.608 382.714 19.930 -13.31042      31.66624 
1 1 1 -7  4  10 o 524.227 18.315 58.474  4.0661 58.088  5.1649  59.103  6.5940 521.697 23.378 524.129 29.831 -2.431702      37.89992 
1 1 1 -7  4  11 o 710.918 14.889 107.321 4.4827 104.426 6.6926  109.677 6.0371 699.977 22.577 717.885 19.858 -17.90802      30.06726 
1 1 1 -7  4  12 o 385.498 15.033 31.546  2.4542 31.409  3.1159  31.768  3.9832 384.368 19.142 385.295 24.539 -0.9275513     31.12245 
1 1 1 -7  4  13 f 498.583 15.279 52.753  3.2261 52.591  4.1533  52.999  5.1222 497.453 19.715 498.912 24.243 -1.458679      31.24763 
1 1 1 -7  4  14 o 954.109 18.274 193.291 7.3837 201.683 10.091  183.618 10.833 973.534 24.475 928.297 27.556 45.23700       36.85618 
1 1 1 -7  4  15 o 711.805 22.650 107.703 6.8275 0.0000  0.0000  107.703 6.8275 ?       ?      711.805 22.650 0.000000       22.64952 
1 1 1 -7  4  16 o 789.792 22.450 132.580 7.5089 0.0000  0.0000  132.580 7.5089 ?       ?      789.792 22.450 0.000000       22.45011 
1 1 1 -7  4  17 o 726.722 21.595 112.239 6.6460 0.0000  0.0000  112.239 6.6460 ?       ?      726.722 21.595 0.000000       21.59476 
1 1 1 -7  4  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  4  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  4  20 o 639.623 27.992 87.354  7.5824 87.354  7.5824  0.0000  0.0000 639.623 27.992 ?       ?      0.000000       27.99227 
1 1 1 -7  4  21 o 815.498 19.635 141.448 6.7812 132.327 10.502  147.970 8.8806 786.004 31.551 832.894 25.177 -46.88959      40.36522 
1 1 1 -7  4  22 o 587.970 19.350 73.537  4.8181 74.203  7.3363  73.031  6.3891 588.874 29.418 584.912 25.793 3.961731       39.12416 
1 1 1 -7  4  23 o 177.676 21.068 6.8176  1.5544 6.3627  2.4852  7.1099  1.9921 168.784 35.874 180.439 26.891 -11.65544      44.83437 
1 1 1 -7  4  24 o 526.012 30.814 59.721  6.8343 0.0000  0.0000  59.721  6.8343 ?       ?      526.012 30.814 0.000000       30.81447 
1 1 1 -7  4  25 o 402.798 21.593 34.789  3.6699 38.339  5.1071  31.000  5.2771 420.899 28.825 376.834 33.414 44.06540       44.12937 
1 1 1 -7  4  26 o 504.158 21.790 54.466  4.6523 58.766  6.4843  49.905  6.6787 520.319 29.549 477.802 33.213 42.51688       44.45507 
1 1 1 -7  4  27 o 322.402 22.373 22.430  3.0358 25.158  4.2029  19.453  4.3897 339.258 29.549 295.782 35.772 43.47568       46.39745 
1 1 1 -7  4  28 o 490.362 22.165 51.786  4.6029 55.000  6.4051  48.353  6.6192 500.861 30.340 467.672 33.646 33.18872       45.30533 
1 1 1 -7  4  29 o 221.495 33.974 11.122  3.0851 11.122  3.0851  0.0000  0.0000 221.495 33.974 ?       ?      0.000000       33.97441 
1 1 1 -7  4  30 o 430.768 22.536 40.364  4.0970 41.767  5.6705  38.832  5.9259 433.074 31.126 415.577 33.968 17.49701       46.07227 
1 1 1 -7  4  31 o 273.794 35.615 17.271  4.0317 0.0000  0.0000  17.271  4.0317 ?       ?      273.794 35.615 0.000000       35.61486 
1 1 1 -7  4  32 o 151.526 29.532 5.2903  1.8270 6.2719  2.3775  3.8746  2.8551 162.794 35.486 128.935 43.792 33.85907       56.36478 
1 1 1 -7  5  1  o 51.044  21.594 0.0348  0.8051 -0.2661 1.2172  0.2689  1.0734 58.769  25.712 62.031  25.479 -3.261887      36.19829 
1 1 1 -7  5  2  o 778.753 18.151 129.156 5.9861 131.926 10.173  127.690 7.4036 782.891 30.682 773.094 22.613 9.797302       38.11506 
1 1 1 -7  5  3  o 76.201  21.886 1.2680  0.7435 1.8893  1.1399  0.8080  0.9809 93.001  27.212 69.059  25.451 23.94244       37.25895 
1 1 1 -7  5  4  o 63.988  20.801 0.8437  0.6456 0.3965  1.0221  1.1406  0.8328 62.729  25.192 73.832  23.588 -11.10297      34.51130 
1 1 1 -7  5  5  o 686.961 17.165 100.453 4.9936 102.189 8.2018  99.431  6.2948 689.842 28.075 682.362 21.783 7.480164       35.53464 
1 1 1 -7  5  6  o 82.621  24.949 1.4721  0.9463 0.1527  1.2192  3.4720  1.5010 63.963  26.790 124.684 28.978 -60.72079      39.46405 
1 1 1 -7  5  7  o 612.307 16.363 79.757  4.2429 76.494  6.7629  81.875  5.4486 597.347 26.734 619.509 20.768 -22.16217      33.85282 
1 1 1 -7  5  8  o 344.747 15.535 25.269  2.2681 26.211  3.5811  24.637  2.9309 349.259 24.364 339.299 20.494 9.959106       31.83717 
1 1 1 -7  5  9  o 356.429 19.898 27.150  2.9915 0.0000  0.0000  27.150  2.9915 ?       ?      356.429 19.898 0.000000       19.89822 
1 1 1 -7  5  10 o 419.629 14.545 37.398  2.5849 36.055  3.8997  38.450  3.4522 410.565 22.515 425.022 19.180 -14.45667      29.57631 
1 1 1 -7  5  11 o 376.797 16.679 30.167  2.6614 32.198  3.2299  25.870  4.6971 388.521 19.695 345.817 32.453 42.70410       37.96122 
1 1 1 -7  5  12 o 758.768 15.737 122.233 5.0568 114.294 6.9499  131.165 7.3715 732.716 22.397 784.973 22.175 -52.25775      31.51760 
1 1 1 -7  5  13 o 731.856 16.612 113.703 5.1487 121.850 6.7678  102.511 7.9329 757.026 21.110 693.451 27.013 63.57458       34.28309 
1 1 1 -7  5  14 o 269.724 14.933 15.480  1.6990 15.645  2.3229  15.289  2.4916 270.600 20.420 267.261 22.215 3.339844       30.17450 
1 1 1 -7  5  15 o 318.012 15.273 21.452  2.0569 19.117  3.0945  23.300  2.7532 298.777 24.678 330.647 19.753 -31.86984      31.60949 
1 1 1 -7  5  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  5  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  5  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  5  19 o 1043.10 25.497 231.851 11.263 0.0000  0.0000  231.851 11.263 ?       ?      1043.10 25.497 0.000000       25.49697 
1 1 1 -7  5  20 o 405.440 25.562 35.189  4.3665 35.189  4.3665  0.0000  0.0000 405.440 25.562 ?       ?      0.000000       25.56170 
1 1 1 -7  5  21 o 308.838 18.380 20.347  2.3931 21.126  3.4372  19.615  3.3338 313.555 26.123 302.017 26.329 11.53790       37.08927 
1 1 1 -7  5  22 o 855.877 20.031 155.876 7.2603 151.028 10.902  159.739 9.7328 839.697 30.657 864.805 26.575 -25.10736      40.57189 
1 1 1 -7  5  23 o 215.155 21.778 9.9654  1.9570 10.550  2.6440  9.2576  2.9104 220.082 29.081 204.673 34.825 15.40813       45.37067 
1 1 1 -7  5  24 o 475.331 29.934 48.762  5.9949 0.0000  0.0000  48.762  5.9949 ?       ?      475.331 29.934 0.000000       29.93387 
1 1 1 -7  5  25 o 366.518 21.494 28.823  3.3216 34.744  4.5988  22.364  4.8027 401.011 27.241 318.653 36.234 82.35861       45.33202 
1 1 1 -7  5  26 o 347.288 21.819 25.947  3.1927 27.168  4.3896  24.577  4.6520 353.091 29.630 334.466 33.285 18.62433       44.56285 
1 1 1 -7  5  27 o 284.069 22.267 17.436  2.6573 23.489  3.6814  10.851  3.8396 328.648 26.681 217.166 43.269 111.4819       50.83359 
1 1 1 -7  5  28 o 189.080 34.856 8.1150  2.6882 8.1150  2.6882  0.0000  0.0000 189.080 34.856 ?       ?      0.000000       34.85575 
1 1 1 -7  5  29 o 216.704 24.401 10.323  2.2004 11.577  2.9688  8.7950  3.2777 226.914 31.765 193.496 41.259 33.41859       52.07044 
1 1 1 -7  5  30 o 366.522 22.587 29.261  3.4889 32.307  4.8250  25.923  5.0508 381.155 30.137 337.842 35.850 43.31378       46.83492 
1 1 1 -7  5  31 o 209.565 38.803 10.372  3.3169 0.0000  0.0000  10.372  3.3169 ?       ?      209.565 38.803 0.000000       38.80290 
1 1 1 -7  5  32 o 70.510  27.622 0.7195  1.1999 1.1981  1.5483  -0.0000 1.8986 83.313  31.705 75.079  32.487 8.233582       45.39363 
1 1 1 -7  6  1  o 313.838 21.277 21.109  2.8112 19.443  3.9300  22.855  4.0229 298.954 31.516 324.871 29.564 -25.91721      43.21243 
1 1 1 -7  6  2  o 868.153 18.346 160.521 6.7449 158.531 11.387  161.596 8.3715 857.998 31.339 869.709 22.729 -11.71033      38.71383 
1 1 1 -7  6  3  f 407.348 16.733 35.309  2.8865 34.058  4.7968  36.019  3.6141 397.191 28.711 410.348 20.866 -13.15674      35.49223 
1 1 1 -7  6  4  f 367.025 16.411 28.660  2.5508 29.031  4.1861  28.441  3.2171 366.921 27.132 364.492 20.929 2.428467       34.26643 
1 1 1 -7  6  5  o 761.971 17.239 123.586 5.5627 121.464 9.1069  124.849 7.0257 751.961 28.598 764.688 21.695 -12.72711      35.89576 
1 1 1 -7  6  6  o 296.893 16.085 18.803  2.0148 19.189  3.2428  18.561  2.5713 298.198 25.937 294.242 20.768 3.955933       33.22758 
1 1 1 -7  6  7  o 807.387 20.123 138.990 6.8805 135.760 9.3351  142.831 10.181 795.498 27.710 815.248 29.488 -19.75067      40.46479 
1 1 1 -7  6  8  o 504.612 15.536 54.132  3.3200 54.922  5.2771  53.614  4.2711 506.772 24.589 501.522 20.110 5.250275       31.76515 
1 1 1 -7  6  9  o 303.310 14.928 19.546  1.9175 20.718  3.0057  18.741  2.4901 310.723 23.005 295.946 19.985 14.77655       30.47379 
1 1 1 -7  6  10 o 226.196 19.344 10.968  1.8352 0.0000  0.0000  10.968  1.8352 ?       ?      226.196 19.344 0.000000       19.34417 
1 1 1 -7  6  11 o 955.294 21.287 194.289 8.6119 0.0000  0.0000  194.289 8.6119 ?       ?      955.294 21.287 0.000000       21.28706 
1 1 1 -7  6  12 o 390.402 13.626 32.335  2.2527 31.655  3.1515  33.046  3.2213 385.902 19.284 394.285 19.292 -8.383698      27.27744 
1 1 1 -7  6  13 o 816.283 22.527 141.736 7.7872 141.736 7.7872  0.0000  0.0000 816.283 22.527 ?       ?      0.000000       22.52674 
1 1 1 -7  6  14 o 447.241 20.458 42.497  3.8747 42.497  3.8747  0.0000  0.0000 447.241 20.458 ?       ?      0.000000       20.45754 
1 1 1 -7  6  15 o 1158.40 28.475 285.884 13.969 285.884 13.969  0.0000  0.0000 1158.40 28.475 ?       ?      0.000000       28.47451 
1 1 1 -7  6  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  6  17 o 570.284 20.475 69.098  4.9450 0.0000  0.0000  69.098  4.9450 ?       ?      570.284 20.475 0.000000       20.47525 
1 1 1 -7  6  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  6  19 o 185.046 22.999 7.3991  1.7634 0.0000  0.0000  7.3991  1.7634 ?       ?      185.046 22.999 0.000000       22.99861 
1 1 1 -7  6  20 o 420.243 24.618 37.770  4.3622 37.770  4.3622  0.0000  0.0000 420.243 24.618 ?       ?      0.000000       24.61823 
1 1 1 -7  6  21 o 321.597 17.862 22.049  2.4231 19.968  3.4657  24.039  3.3891 304.588 27.152 334.955 24.052 -30.36676      36.27342 
1 1 1 -7  6  22 f 1262.98 22.415 339.871 11.989 328.345 17.670  349.703 16.320 1236.52 33.744 1277.90 30.157 -41.38110      45.25605 
1 1 1 -7  6  23 o 482.518 18.848 49.547  3.8514 53.044  5.5755  46.355  5.3266 497.343 26.568 464.694 27.185 32.64880       38.01173 
1 1 1 -7  6  24 o 460.222 29.125 45.694  5.6473 0.0000  0.0000  45.694  5.6473 ?       ?      460.222 29.125 0.000000       29.12547 
1 1 1 -7  6  25 o 450.029 21.155 43.304  4.0318 38.916  5.5076  48.371  5.9183 423.232 30.943 472.522 29.727 -49.29031      42.90874 
1 1 1 -7  6  26 o 128.348 27.847 3.6905  1.4701 4.1707  1.9250  3.0187  2.2770 135.749 33.653 118.980 39.083 16.76878       51.57527 
1 1 1 -7  6  27 o 157.450 25.532 5.4792  1.6441 6.4800  2.2183  4.2594  2.4491 169.807 32.021 137.018 39.828 32.78870       51.10418 
1 1 1 -7  6  28 o 365.959 30.650 29.509  4.7064 29.509  4.7064  0.0000  0.0000 365.959 30.650 ?       ?      0.000000       30.65035 
1 1 1 -7  6  29 o 124.610 28.428 3.5345  1.4670 2.8154  2.0184  4.3397  2.1358 112.977 36.782 136.712 36.287 -23.73544      51.66829 
1 1 1 -7  6  30 o 513.427 22.089 57.176  4.8029 64.324  6.6643  49.451  6.9281 539.044 29.303 467.919 35.220 71.12460       45.81669 
1 1 1 -7  6  31 o 228.857 37.897 12.284  3.5444 0.0000  0.0000  12.284  3.5444 ?       ?      228.857 37.897 0.000000       37.89727 
1 1 1 -7  6  32 o 154.053 27.558 5.4143  1.7319 7.5342  2.2789  2.5164  2.6645 180.913 30.852 111.739 41.796 69.17410       51.94925 
1 1 1 -7  7  1  o 435.347 20.824 40.421  3.8393 37.188  5.3216  43.930  5.5445 414.811 30.507 451.403 29.159 -36.59204      42.20144 
1 1 1 -7  7  2  o 500.446 20.566 53.413  4.3586 56.553  6.0069  49.922  6.3342 512.716 27.768 480.594 31.293 32.12143       41.83681 
1 1 1 -7  7  3  o 193.728 17.565 8.0539  1.4254 8.0012  2.2936  8.0871  1.8194 190.863 29.313 193.286 22.656 -2.423065      37.04834 
1 1 1 -7  7  4  o 210.577 17.082 9.4984  1.5102 9.3360  2.4224  9.6016  1.9315 206.673 28.430 210.949 21.942 -4.275436      35.91246 
1 1 1 -7  7  5  o 380.294 16.002 30.760  2.5771 28.521  4.1438  32.172  3.2910 363.722 27.096 387.918 20.102 -24.19601      33.73877 
1 1 1 -7  7  6  o 485.672 15.849 50.162  3.2598 48.988  5.2398  50.903  4.1637 477.533 26.008 488.602 20.122 -11.06906      32.88335 
1 1 1 -7  7  7  o 891.580 20.311 169.493 7.6690 168.279 10.508  170.877 11.218 885.615 28.018 891.703 29.706 -6.087341      40.83450 
1 1 1 -7  7  8  f 601.069 15.559 76.794  3.9606 71.041  6.3149  80.525  5.0850 576.169 25.881 614.817 19.530 -38.64722      32.42264 
1 1 1 -7  7  9  o 224.823 15.141 10.787  1.4332 11.177  2.2597  10.525  1.8537 227.595 23.796 221.409 19.985 6.185303       31.07527 
1 1 1 -7  7  10 o 289.245 13.961 17.761  1.7101 16.511  2.5713  18.753  2.2900 277.486 22.063 296.373 18.336 -18.88770      28.68779 
1 1 1 -7  7  11 o 1009.15 17.005 216.359 7.2674 0.0000  0.0000  216.359 7.2674 ?       ?      1009.15 17.005 0.000000       17.00513 
1 1 1 -7  7  12 o 334.831 14.657 23.790  2.0783 0.0000  0.0000  23.790  2.0783 ?       ?      334.831 14.657 0.000000       14.65660 
1 1 1 -7  7  13 o 624.028 23.874 82.869  6.3091 0.0000  0.0000  82.869  6.3091 ?       ?      624.028 23.874 0.000000       23.87381 
1 1 1 -7  7  14 o 390.207 21.482 32.456  3.5362 0.0000  0.0000  32.456  3.5362 ?       ?      390.207 21.482 0.000000       21.48209 
1 1 1 -7  7  15 o 687.960 21.913 100.581 6.3841 0.0000  0.0000  100.581 6.3841 ?       ?      687.960 21.913 0.000000       21.91260 
1 1 1 -7  7  16 o 477.930 20.093 48.517  4.0668 0.0000  0.0000  48.517  4.0668 ?       ?      477.930 20.093 0.000000       20.09309 
1 1 1 -7  7  17 o 734.265 21.856 114.611 6.7961 0.0000  0.0000  114.611 6.7961 ?       ?      734.265 21.856 0.000000       21.85570 
1 1 1 -7  7  18 o 659.800 15.051 92.369  4.2055 94.269  5.8529  90.342  6.0467 665.936 20.754 651.774 21.907 14.16168       30.17635 
1 1 1 -7  7  19 o 249.710 15.063 13.282  1.5855 13.594  2.2413  12.968  2.2432 251.926 21.205 245.939 21.762 5.987518       30.38454 
1 1 1 -7  7  20 o 709.786 25.497 107.448 7.6641 107.448 7.6641  0.0000  0.0000 709.786 25.497 ?       ?      0.000000       25.49710 
1 1 1 -7  7  21 o 729.484 17.968 113.113 5.5509 106.550 8.1918  118.686 7.5481 706.212 27.390 746.140 23.888 -39.92767      36.34354 
1 1 1 -7  7  22 o 232.984 19.153 11.624  1.8731 13.369  2.4401  9.1205  2.9225 249.341 23.382 203.166 35.245 46.17555       42.29538 
1 1 1 -7  7  23 o 320.793 18.804 21.976  2.5434 20.035  3.5797  23.955  3.6145 304.615 28.065 333.779 25.770 -29.16409      38.10187 
1 1 1 -7  7  24 o 318.018 29.286 21.924  3.8999 0.0000  0.0000  21.924  3.8999 ?       ?      318.018 29.286 0.000000       29.28625 
1 1 1 -7  7  25 o 403.748 20.391 34.925  3.4753 30.992  4.8019  39.251  5.0361 377.577 30.286 425.918 28.078 -48.34039      41.29896 
1 1 1 -7  7  26 o 370.504 28.724 29.867  4.4717 29.867  4.4717  0.0000  0.0000 370.504 28.724 ?       ?      0.000000       28.72401 
1 1 1 -7  7  27 o 221.399 30.941 10.866  2.8218 10.866  2.8218  0.0000  0.0000 221.399 30.941 ?       ?      0.000000       30.94097 
1 1 1 -7  7  28 o 461.267 21.424 45.826  4.1851 47.601  5.7184  43.779  6.1413 465.975 29.124 444.755 32.838 21.21991       43.89276 
1 1 1 -7  7  29 o 261.403 22.720 14.913  2.4901 16.359  3.3738  13.183  3.6907 271.038 29.890 239.569 37.617 31.46965       48.04628 
1 1 1 -7  7  30 o 303.773 22.454 20.139  2.8682 25.912  3.9415  13.642  4.1816 342.379 27.414 240.300 42.653 102.0795       50.70253 
1 1 1 -7  7  31 o 239.212 36.797 13.347  3.6082 0.0000  0.0000  13.347  3.6082 ?       ?      239.212 36.797 0.000000       36.79681 
1 1 1 -7  7  32 o 253.487 23.630 14.222  2.5074 18.189  3.4089  9.5459  3.7012 284.125 28.725 195.972 45.475 88.15324       53.78761 
1 1 1 -7  8  1  o 285.318 30.653 17.693  3.6457 0.0000  0.0000  17.693  3.6457 ?       ?      285.318 30.653 0.000000       30.65280 
1 1 1 -7  8  2  o 536.451 20.518 61.365  4.6613 67.679  6.3895  54.183  6.8153 561.971 26.848 500.505 32.326 61.46542       42.02166 
1 1 1 -7  8  3  o 201.629 17.230 8.7141  1.4571 9.3052  2.3656  8.3527  1.8496 206.507 27.752 196.492 22.642 10.01540       35.81678 
1 1 1 -7  8  4  o 210.873 19.928 9.5625  1.7586 11.480  2.4005  7.3421  2.5835 230.294 25.016 181.432 34.891 48.86301       42.93280 
1 1 1 -7  8  5  o 386.975 18.805 31.901  3.0818 32.948  4.2025  30.682  4.5330 391.490 25.487 376.991 28.606 14.49838       38.31295 
1 1 1 -7  8  6  o 350.893 18.500 26.294  2.7394 29.254  3.7649  22.964  3.9934 369.096 24.221 325.708 29.264 43.38828       37.98722 
1 1 1 -7  8  7  o 347.233 17.995 25.733  2.6371 24.407  3.5813  27.302  3.8976 336.842 25.291 356.204 26.018 -19.36276      36.28394 
1 1 1 -7  8  8  o 584.052 17.989 72.587  4.4495 71.108  6.0596  74.318  6.5545 576.792 24.808 589.335 26.262 -12.54352      36.12651 
1 1 1 -7  8  9  o 442.998 16.729 41.719  3.1385 41.725  4.2106  41.711  4.7079 441.751 22.583 441.132 25.307 0.6182861      33.91768 
1 1 1 -7  8  10 o 852.124 17.928 154.375 6.4697 149.249 8.6005  161.056 9.8192 836.451 24.279 868.234 26.705 -31.78284      36.09231 
1 1 1 -7  8  11 o 313.833 12.388 20.891  1.6464 22.624  2.6337  19.778  2.1093 325.652 19.182 304.732 16.405 20.92017       25.24044 
1 1 1 -7  8  12 o 725.764 12.970 111.715 3.9863 109.245 6.5986  113.134 5.0024 716.643 21.742 730.030 16.180 -13.38715      27.10232 
1 1 1 -7  8  13 o 366.181 11.682 28.426  1.8116 33.244  3.0461  25.789  2.2535 395.674 18.179 348.638 15.263 47.03641       23.73631 
1 1 1 -7  8  14 o 258.548 12.384 14.171  1.3560 14.630  2.2246  13.901  1.7104 261.660 20.233 255.476 15.888 6.183838       25.72518 
1 1 1 -7  8  15 o 881.431 18.821 164.949 7.0254 0.0000  0.0000  164.949 7.0254 ?       ?      881.431 18.821 0.000000       18.82072 
1 1 1 -7  8  16 o 935.172 17.864 185.643 7.0746 199.810 10.727  174.737 9.4116 968.827 26.145 906.293 24.522 62.53424       35.84513 
1 1 1 -7  8  17 o 564.979 14.510 67.709  3.4718 70.353  4.9095  65.064  4.9102 575.433 20.146 553.305 20.955 22.12805       29.06873 
1 1 1 -7  8  18 o 650.535 14.982 89.796  4.1275 94.296  5.7285  84.938  5.9522 666.058 20.309 631.902 22.243 34.15521       30.11941 
1 1 1 -7  8  19 o 617.402 17.589 80.973  4.5988 0.0000  0.0000  80.973  4.5988 ?       ?      617.402 17.589 0.000000       17.58873 
1 1 1 -7  8  20 o 405.064 18.024 34.870  3.0918 36.910  3.9565  31.671  4.9549 415.710 22.558 383.503 30.768 32.20633       38.15159 
1 1 1 -7  8  21 o 428.815 14.524 39.035  2.6376 37.512  4.4357  39.868  3.2805 418.572 25.140 433.082 17.887 -14.51013      30.85397 
1 1 1 -7  8  22 o 597.633 17.902 75.940  4.5309 72.771  6.5150  78.908  6.3055 583.634 26.359 608.114 24.484 -24.47937      35.97624 
1 1 1 -7  8  23 o 423.708 26.128 38.544  4.6654 0.0000  0.0000  38.544  4.6654 ?       ?      423.708 26.128 0.000000       26.12800 
1 1 1 -7  8  24 o 440.802 18.883 41.420  3.5249 43.581  4.9142  39.129  5.0590 450.123 25.889 425.805 28.215 24.31839       38.29240 
1 1 1 -7  8  25 o 671.849 28.127 97.322  8.0028 97.322  8.0028  0.0000  0.0000 671.849 28.127 ?       ?      0.000000       28.12719 
1 1 1 -7  8  26 o 400.758 28.142 34.894  4.7459 34.894  4.7459  0.0000  0.0000 400.758 28.142 ?       ?      0.000000       28.14192 
1 1 1 -7  8  27 o 226.942 23.711 11.209  2.2452 12.529  2.8736  9.1396  3.5973 238.540 29.046 198.427 43.965 40.11217       52.69328 
1 1 1 -7  8  28 o 315.754 29.237 21.972  3.8651 21.972  3.8651  0.0000  0.0000 315.754 29.237 ?       ?      0.000000       29.23657 
1 1 1 -7  8  29 o 434.360 21.395 40.798  3.9355 48.846  5.3717  31.472  5.7821 471.690 27.003 372.297 37.171 99.39313       45.94387 
1 1 1 -7  8  30 o 169.725 24.894 6.4143  1.7361 7.9435  2.2946  4.3666  2.6552 187.388 29.921 136.461 41.911 50.92738       51.49576 
1 1 1 -7  8  31 o 301.158 34.638 20.854  4.3372 0.0000  0.0000  20.854  4.3372 ?       ?      301.158 34.638 0.000000       34.63794 
1 1 1 -7  8  32 o 454.439 22.016 45.161  4.2370 52.772  5.7945  36.415  6.2112 485.565 28.302 394.999 37.584 90.56604       47.04814 
1 1 1 -7  9  1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  9  2  o 322.789 28.062 22.509  3.7978 22.509  3.7978  0.0000  0.0000 322.789 28.062 ?       ?      0.000000       28.06155 
1 1 1 -7  9  3  o 340.447 26.616 24.978  3.8068 24.978  3.8068  0.0000  0.0000 340.447 26.616 ?       ?      0.000000       26.61592 
1 1 1 -7  9  4  o 323.408 19.112 22.359  2.6060 19.299  3.4884  26.224  3.9201 298.703 27.900 348.838 26.740 -50.13531      38.64463 
1 1 1 -7  9  5  o 519.573 18.744 57.499  4.1244 54.350  5.6473  61.098  6.0379 502.975 26.607 533.308 26.819 -30.33337      37.77854 
1 1 1 -7  9  6  o 447.311 18.285 42.598  3.4638 44.994  4.7665  39.918  5.0423 458.056 24.663 430.621 27.798 27.43588       37.16164 
1 1 1 -7  9  7  o 674.185 18.681 96.766  5.3337 97.934  7.3224  95.447  7.7846 676.651 25.553 667.462 27.540 9.188721       37.56906 
1 1 1 -7  9  8  o 621.941 17.884 82.289  4.7105 84.098  6.4484  80.218  6.8976 627.515 24.265 612.342 26.599 15.17328       36.00418 
1 1 1 -7  9  9  o 651.203 17.279 90.155  4.7651 89.134  6.3811  91.443  7.1644 646.442 23.309 654.211 25.860 -7.769287      34.81404 
1 1 1 -7  9  10 o 687.134 13.902 100.207 4.0454 98.282  6.4815  101.436 5.1778 679.227 22.533 690.840 17.698 -11.61224      28.65207 
1 1 1 -7  9  11 o 1257.78 16.584 335.958 8.8335 316.394 14.660  347.111 11.068 1217.19 28.440 1277.52 20.459 -60.33313      35.03421 
1 1 1 -7  9  12 o 327.843 11.623 22.787  1.6138 21.650  2.6704  23.441  2.0255 318.560 19.894 332.405 14.388 -13.84445      24.55186 
1 1 1 -7  9  13 o 327.443 14.484 22.743  2.0085 0.0000  0.0000  22.743  2.0085 ?       ?      327.443 14.484 0.000000       14.48409 
1 1 1 -7  9  14 o 531.422 12.637 59.873  2.8440 63.947  4.6814  57.489  3.5805 548.685 20.147 520.527 16.242 28.15802       25.87884 
1 1 1 -7  9  15 f 671.217 13.650 95.534  3.8800 98.771  6.5474  93.781  4.8169 681.645 22.681 664.764 17.110 16.88055       28.41121 
1 1 1 -7  9  16 o 1199.61 14.671 305.235 7.4530 307.880 10.449  302.495 10.634 1203.81 20.496 1193.13 21.045 10.68115       29.37663 
1 1 1 -7  9  17 o 430.863 12.598 39.363  2.2987 40.735  3.5699  38.391  3.0045 437.911 19.250 425.293 16.682 12.61789       25.47208 
1 1 1 -7  9  18 o 831.872 23.258 147.286 8.1937 0.0000  0.0000  147.286 8.1937 ?       ?      831.872 23.258 0.000000       23.25848 
1 1 1 -7  9  19 o 260.855 13.153 14.471  1.4483 16.537  2.1855  12.854  1.9339 278.327 18.649 245.216 18.765 33.11063       26.45611 
1 1 1 -7  9  20 o 240.339 17.824 12.343  1.8013 12.470  2.2512  12.115  3.0030 240.975 22.313 235.987 30.781 4.988052       38.01794 
1 1 1 -7  9  21 o 513.166 14.300 55.900  3.1077 59.472  5.1859  53.898  3.8820 528.240 23.182 503.505 18.206 24.73416       29.47614 
1 1 1 -7  9  22 f 1078.98 20.250 247.841 9.2529 242.976 13.440  252.225 12.758 1065.01 29.800 1085.93 27.741 -20.91663      40.71350 
1 1 1 -7  9  23 o 740.631 19.857 116.864 6.2281 0.0000  0.0000  116.864 6.2281 ?       ?      740.631 19.857 0.000000       19.85672 
1 1 1 -7  9  24 o 434.811 15.610 40.223  2.8743 43.337  4.7296  38.400  3.6194 449.003 24.972 424.172 20.149 24.83157       32.08716 
1 1 1 -7  9  25 o 375.166 19.926 30.166  3.1544 27.650  4.1518  33.603  4.8516 357.111 27.669 393.342 29.336 -36.23132      40.32605 
1 1 1 -7  9  26 o 392.694 16.593 32.901  2.7594 35.500  4.4319  31.257  3.5264 404.905 25.983 381.070 21.944 23.83508       34.00986 
1 1 1 -7  9  27 o 333.817 21.071 24.019  2.9635 24.149  3.9291  23.849  4.5133 332.437 28.174 328.533 32.881 3.904083       43.30048 
1 1 1 -7  9  28 f 168.468 28.619 6.3604  1.9688 5.1264  2.4159  8.8003  3.3971 148.568 38.188 193.686 42.576 -45.11766      57.19327 
1 1 1 -7  9  29 o 171.490 35.222 6.7969  2.4724 6.7969  2.4724  0.0000  0.0000 171.490 35.222 ?       ?      0.000000       35.22201 
1 1 1 -7  9  30 o 433.815 21.277 40.809  3.9090 47.864  5.2770  32.231  5.8189 465.897 26.860 375.228 37.105 90.66931       45.80604 
1 1 1 -7  9  31 o 172.173 39.817 7.1437  2.8453 0.0000  0.0000  7.1437  2.8453 ?       ?      172.173 39.817 0.000000       39.81717 
1 1 1 -7  9  32 o 323.246 22.308 22.971  3.0351 29.383  4.0785  15.013  4.5435 362.955 26.722 247.281 45.046 115.6741       52.37604 
1 1 1 -7  10 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  10 2  o 228.235 33.229 11.441  3.1175 0.0000  0.0000  11.441  3.1175 ?       ?      228.235 33.229 0.000000       33.22901 
1 1 1 -7  10 3  o 886.788 29.180 168.781 10.958 168.781 10.958  0.0000  0.0000 886.788 29.180 ?       ?      0.000000       29.18004 
1 1 1 -7  10 4  o 864.094 20.569 159.178 7.5269 155.459 10.319  163.406 11.003 851.247 28.626 872.263 29.786 -21.01556      41.31116 
1 1 1 -7  10 5  o 354.214 18.558 26.785  2.7742 26.275  3.7671  27.389  4.1007 349.527 25.628 356.521 27.369 -6.993622      37.49493 
1 1 1 -7  10 6  o 489.708 18.177 51.039  3.7698 56.096  5.2079  45.474  5.4638 512.424 23.999 459.766 28.198 52.65778       37.02786 
1 1 1 -7  10 7  o 499.436 17.780 53.064  3.7606 52.395  5.1742  53.814  5.4750 495.210 24.672 500.995 25.894 -5.785797      35.76604 
1 1 1 -7  10 8  o 538.973 17.329 61.769  3.9554 64.711  5.3925  58.342  5.8194 550.762 23.120 521.719 26.425 29.04291       35.11139 
1 1 1 -7  10 9  o 465.675 16.461 46.075  3.2463 46.267  4.3259  45.828  4.9116 466.027 21.919 462.704 25.160 3.322845       33.36902 
1 1 1 -7  10 10 o 592.995 16.245 74.682  4.0797 74.424  5.3618  75.035  6.2871 591.324 21.411 593.185 25.027 -1.860779      32.93647 
1 1 1 -7  10 11 o 564.898 12.651 67.679  3.0264 67.461  4.9309  67.810  3.8334 563.233 20.673 565.174 16.016 -1.940857      26.15102 
1 1 1 -7  10 12 o 646.411 12.575 88.602  3.4425 88.485  5.7129  88.669  4.3136 645.184 20.909 646.394 15.758 -1.210510      26.18203 
1 1 1 -7  10 13 o 913.369 13.887 176.923 5.3714 170.926 9.1509  180.076 6.6347 896.345 24.107 921.111 17.009 -24.76611      29.50318 
1 1 1 -7  10 14 o 101.486 15.807 2.2369  0.6573 0.1275  1.1710  3.2071  0.7941 62.663  26.251 121.946 15.745 -59.28322      30.61090 
1 1 1 -7  10 15 o 516.602 15.759 56.619  3.4476 0.0000  0.0000  56.619  3.4476 ?       ?      516.602 15.759 0.000000       15.75860 
1 1 1 -7  10 16 o 1302.52 17.607 360.143 9.7119 375.489 16.870  352.537 11.877 1326.79 30.025 1287.83 21.778 38.96362       37.09126 
1 1 1 -7  10 17 o 245.873 12.808 12.854  1.3290 12.556  2.0306  13.077  1.7577 242.273 19.969 247.631 16.862 -5.357712      26.13591 
1 1 1 -7  10 18 o 167.365 24.643 6.0922  1.6944 0.0000  0.0000  6.0922  1.6944 ?       ?      167.365 24.643 0.000000       24.64291 
1 1 1 -7  10 19 o 369.659 12.976 28.988  2.0313 31.264  3.0988  27.272  2.6898 383.494 19.081 358.273 17.728 25.22101       26.04521 
1 1 1 -7  10 20 o 242.698 17.520 12.582  1.7886 12.509  2.1815  12.731  3.1242 241.449 21.561 241.883 31.228 -0.4337921     37.94837 
1 1 1 -7  10 21 o 862.347 17.796 158.080 6.4992 165.243 9.4422  151.631 8.9593 879.904 25.339 842.947 25.097 36.95679       35.66465 
1 1 1 -7  10 22 o 630.458 15.441 84.435  4.1228 80.989  6.7839  86.454  5.1914 615.641 26.020 637.385 19.233 -21.74432      32.35658 
1 1 1 -7  10 23 o 393.894 20.990 33.180  3.4887 0.0000  0.0000  33.180  3.4887 ?       ?      393.894 20.990 0.000000       20.99001 
1 1 1 -7  10 24 o 502.209 19.576 53.821  4.1634 56.460  5.4837  50.229  6.3971 513.064 25.238 481.231 31.565 31.83347       40.41395 
1 1 1 -7  10 25 o 276.258 16.789 16.330  1.9548 17.714  3.0830  15.400  2.5280 285.819 25.747 267.106 22.559 18.71356       34.23216 
1 1 1 -7  10 26 o 390.581 16.502 32.552  2.7295 27.690  4.3326  35.751  3.5147 356.323 28.963 408.519 20.316 -52.19568      35.37724 
1 1 1 -7  10 27 o 267.212 17.599 15.337  1.9803 15.578  3.0499  15.161  2.6039 266.669 27.396 264.205 23.518 2.464172       36.10630 
1 1 1 -7  10 28 o 270.944 18.156 15.824  2.0712 15.264  3.1522  16.251  2.7477 262.592 28.819 272.803 24.029 -10.21039      37.52219 
1 1 1 -7  10 29 o 347.626 17.545 26.028  2.5746 26.432  4.1190  25.768  3.2982 345.685 28.387 343.910 22.775 1.774841       36.39420 
1 1 1 -7  10 30 o 477.302 28.731 50.580  5.7804 50.580  5.7804  0.0000  0.0000 477.302 28.731 ?       ?      0.000000       28.73093 
1 1 1 -7  10 31 o 225.232 37.602 11.959  3.4601 0.0000  0.0000  11.959  3.4601 ?       ?      225.232 37.602 0.000000       37.60157 
1 1 1 -7  10 32 o 352.343 21.951 27.249  3.2592 32.658  4.3804  20.540  4.8780 382.309 27.233 293.761 40.271 88.54855       48.61454 
1 1 1 -7  11 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  11 2  o 489.377 29.004 51.513  5.9843 0.0000  0.0000  51.513  5.9843 ?       ?      489.377 29.004 0.000000       29.00440 
1 1 1 -7  11 3  o 342.451 19.654 25.058  2.8384 24.468  3.8671  25.746  4.1793 336.966 27.335 345.375 28.838 -8.408356      39.73415 
1 1 1 -7  11 4  o 464.170 26.070 46.234  5.1038 46.234  5.1038  0.0000  0.0000 464.170 26.070 ?       ?      0.000000       26.06980 
1 1 1 -7  11 5  o 473.830 18.450 47.784  3.7021 50.033  5.0817  45.240  5.4044 483.216 24.918 458.710 27.954 24.50574       37.44756 
1 1 1 -7  11 6  o 1024.95 20.709 223.840 8.9888 215.557 12.426  232.935 13.019 1002.68 29.263 1042.21 29.498 -39.52979      41.55021 
1 1 1 -7  11 7  o 329.878 17.522 23.206  2.4391 23.535  3.3625  22.841  3.5435 331.175 24.141 325.901 25.888 5.273560       35.39740 
1 1 1 -7  11 8  f 758.843 18.048 122.450 5.7998 117.650 7.8464  128.230 8.6111 742.392 24.957 774.726 26.246 -32.33319      36.21779 
1 1 1 -7  11 9  o 278.702 16.333 16.555  1.9193 15.989  2.5523  17.293  2.9117 273.097 22.262 283.740 24.471 -10.64282      33.08182 
1 1 1 -7  11 10 o 572.898 13.078 69.624  3.1729 68.475  5.1109  70.345  4.0472 567.298 21.274 575.535 16.605 -8.236511      26.98693 
1 1 1 -7  11 11 o 395.407 15.218 33.179  2.5483 34.440  3.3324  31.403  3.9546 402.565 19.547 383.239 24.494 19.32523       31.33775 
1 1 1 -7  11 12 o 848.654 13.627 152.745 4.8976 155.926 8.2219  150.997 6.0974 856.237 22.674 843.399 17.071 12.83801       28.38216 
1 1 1 -7  11 13 o 578.085 12.236 70.845  2.9956 72.770  5.1138  69.840  3.6962 585.247 20.633 573.783 15.211 11.46381       25.63404 
1 1 1 -7  11 14 o 890.012 13.971 167.980 5.2657 166.268 8.9004  168.902 6.5315 884.211 23.769 892.096 17.288 -7.885254      29.39145 
1 1 1 -7  11 15 o 480.175 11.218 48.870  2.2811 47.192  3.2582  50.483  3.1946 471.599 16.314 487.819 15.464 -16.22003      22.47832 
1 1 1 -7  11 16 o 694.268 11.936 102.185 3.5094 103.302 4.9296  101.037 4.9972 697.654 16.685 689.925 17.103 7.728760       23.89363 
1 1 1 -7  11 17 o 589.126 11.572 73.580  2.8872 73.813  4.0042  73.328  4.1669 589.725 16.033 587.724 16.742 2.000244       23.18063 
1 1 1 -7  11 18 o 279.217 17.051 16.618  2.0065 0.0000  0.0000  16.618  2.0065 ?       ?      279.217 17.051 0.000000       17.05050 
1 1 1 -7  11 19 o 591.032 13.404 74.115  3.3550 71.465  5.1815  76.028  4.4026 579.513 21.113 598.204 17.379 -18.69067      27.34522 
1 1 1 -7  11 20 o 347.197 15.069 25.595  2.2156 25.234  3.0414  26.002  3.2343 343.671 20.998 348.733 22.013 -5.061768      30.42136 
1 1 1 -7  11 21 o 893.730 17.831 169.811 6.7487 173.216 9.5975  166.481 9.4917 900.865 25.157 883.115 25.379 17.74957       35.73492 
1 1 1 -7  11 22 o 1622.81 26.017 562.915 17.880 0.0000  0.0000  562.915 17.880 ?       ?      1622.81 26.017 0.000000       26.01673 
1 1 1 -7  11 23 o 215.972 20.552 10.036  1.8570 11.392  2.3370  7.7124  3.0587 229.529 24.418 184.919 40.205 44.61064       47.03864 
1 1 1 -7  11 24 o 427.296 16.139 38.875  2.9204 38.799  4.5330  38.929  3.8185 424.448 25.334 426.753 21.128 -2.305511      32.98821 
1 1 1 -7  11 25 o 389.365 16.005 32.310  2.6391 30.894  4.2125  33.225  3.3859 377.743 26.501 393.539 20.386 -15.79614      33.43472 
1 1 1 -7  11 26 o 176.514 19.227 6.7444  1.4140 6.2392  2.1413  7.1352  1.8830 166.737 31.479 180.224 25.374 -13.48721      40.43205 
1 1 1 -7  11 27 o 355.589 16.673 27.028  2.5108 28.283  3.9497  26.177  3.2525 360.447 26.050 348.020 22.184 12.42712       34.21624 
1 1 1 -7  11 28 o 319.260 17.553 21.932  2.3641 22.527  3.6339  21.495  3.1129 320.137 27.057 314.056 23.578 6.081024       35.88823 
1 1 1 -7  11 29 o 122.818 30.760 3.4666  1.5964 2.1227  1.8346  7.6577  3.2398 101.045 35.076 178.931 43.237 -77.88660      55.67499 
1 1 1 -7  11 30 o 300.233 23.045 19.768  2.9077 16.280  3.5845  26.478  4.9720 267.894 32.243 340.544 34.972 -72.64990      47.56770 
1 1 1 -7  11 31 o 306.581 31.644 21.407  4.0494 0.0000  0.0000  21.407  4.0494 ?       ?      306.581 31.644 0.000000       31.64425 
1 1 1 -7  11 32 o 147.227 26.418 4.9351  1.5866 5.6911  2.0525  3.8127  2.5010 156.063 32.127 126.888 40.912 29.17548       52.01875 
1 1 1 -7  12 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  12 2  o 348.304 19.667 25.907  2.8890 25.613  3.9249  26.255  4.2681 345.007 27.081 348.898 29.153 -3.891357      39.79037 
1 1 1 -7  12 3  o 847.979 29.692 154.171 10.663 0.0000  0.0000  154.171 10.663 ?       ?      847.979 29.692 0.000000       29.69172 
1 1 1 -7  12 4  o 755.265 19.701 121.457 6.3015 121.462 8.7074  121.452 9.1309 753.365 27.292 752.933 28.636 0.4313354      39.55879 
1 1 1 -7  12 5  o 497.096 25.390 52.937  5.3272 52.937  5.3272  0.0000  0.0000 497.096 25.390 ?       ?      0.000000       25.39037 
1 1 1 -7  12 6  f 747.396 18.906 118.868 5.9840 113.463 8.2590  124.841 8.6823 728.401 26.774 764.033 26.834 -35.63196      37.90620 
1 1 1 -7  12 7  o 902.931 19.353 173.477 7.4004 173.461 10.190  173.495 10.765 900.907 26.710 900.510 28.227 0.3972778      38.86079 
1 1 1 -7  12 8  o 302.961 17.157 19.566  2.1922 23.173  2.9740  15.274  3.2442 329.213 21.448 265.632 29.328 63.58176       36.33424 
1 1 1 -7  12 9  o 618.693 13.665 81.220  3.5804 76.914  5.7726  83.913  4.5645 600.978 22.681 628.490 17.150 -27.51154      28.43505 
1 1 1 -7  12 10 o 208.170 13.180 9.2286  1.1559 8.0465  1.8720  9.9570  1.4695 193.023 23.377 215.963 16.186 -22.94037      28.43349 
1 1 1 -7  12 11 o 1508.98 18.289 483.606 11.688 480.534 19.781  485.253 14.487 1499.88 31.142 1510.33 22.649 -10.44641      38.50758 
1 1 1 -7  12 12 o 600.684 15.461 76.554  3.9331 75.304  5.2811  78.111  5.8936 595.266 20.949 606.038 22.963 -10.77203      31.08366 
1 1 1 -7  12 13 o 517.908 14.828 56.894  3.2523 0.0000  0.0000  56.894  3.2523 ?       ?      517.908 14.828 0.000000       14.82831 
1 1 1 -7  12 14 o 278.855 12.058 16.484  1.4239 18.928  2.4249  15.198  1.7591 297.933 19.324 267.198 15.614 30.73514       24.84351 
1 1 1 -7  12 15 o 382.683 10.904 31.039  1.7671 31.080  2.5098  30.999  2.4884 382.750 15.484 382.255 15.371 0.4949341      21.81822 
1 1 1 -7  12 16 o 687.240 11.703 100.125 3.4059 101.702 4.7796  98.498  4.8547 692.246 16.304 681.205 16.828 11.04071       23.43093 
1 1 1 -7  12 17 o 631.155 11.839 84.462  3.1644 91.251  4.4273  77.372  4.5246 655.677 15.944 603.588 17.701 52.08905       23.82321 
1 1 1 -7  12 18 o 500.878 16.916 53.283  3.5883 0.0000  0.0000  53.283  3.5883 ?       ?      500.878 16.916 0.000000       16.91649 
1 1 1 -7  12 19 o 759.890 16.036 122.629 5.1605 120.395 7.1472  125.063 7.4589 751.875 22.446 766.208 22.987 -14.33215      32.12872 
1 1 1 -7  12 20 o 394.780 15.300 33.095  2.5580 32.154  3.4085  34.310  3.8704 388.103 20.814 400.603 22.909 -12.50034      30.95233 
1 1 1 -7  12 21 o 672.090 31.142 96.844  8.8638 0.0000  0.0000  96.844  8.8638 ?       ?      672.090 31.142 0.000000       31.14210 
1 1 1 -7  12 22 o 436.298 30.566 41.047  5.6120 0.0000  0.0000  41.047  5.6120 ?       ?      436.298 30.566 0.000000       30.56631 
1 1 1 -7  12 23 o 534.135 15.474 60.671  3.5002 58.171  5.5479  62.324  4.5114 521.188 25.136 540.641 19.704 -19.45349      31.93853 
1 1 1 -7  12 24 o 139.624 21.533 4.2647  1.2323 4.6239  1.6975  3.8645  1.7918 144.001 28.841 131.036 32.457 12.96527       43.41999 
1 1 1 -7  12 25 o 323.261 20.059 22.444  2.7324 23.313  3.4893  21.067  4.3936 328.130 25.306 309.015 34.144 19.11481       42.49926 
1 1 1 -7  12 26 o 605.350 16.270 78.208  4.1711 70.586  6.7476  82.922  5.3063 570.752 27.916 622.026 20.144 -51.27466      34.42518 
1 1 1 -7  12 27 o 332.230 16.908 23.669  2.3710 22.986  3.6975  24.146  3.0899 324.190 27.182 334.145 21.958 -9.954559      34.94318 
1 1 1 -7  12 28 o 226.363 18.556 11.087  1.7632 10.804  2.6308  11.317  2.3757 220.142 28.919 226.730 25.167 -6.587448      38.33631 
1 1 1 -7  12 29 o 226.142 22.451 11.201  2.1217 13.569  2.5934  6.4066  3.6897 248.164 25.018 162.424 49.312 85.73991       55.29512 
1 1 1 -7  12 30 o 141.765 23.903 4.5067  1.3840 2.8616  1.9616  6.1374  1.9530 112.405 36.232 164.061 29.179 -51.65566      46.52063 
1 1 1 -7  12 31 o 413.089 23.256 37.565  4.0519 0.0000  0.0000  37.565  4.0519 ?       ?      413.089 23.256 0.000000       23.25609 
1 1 1 -7  13 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  13 2  o 702.579 19.865 105.054 5.9106 103.178 8.1494  107.136 8.5854 694.616 27.704 707.570 28.652 -12.95404      39.85470 
1 1 1 -7  13 3  o 827.794 20.222 145.887 7.0893 152.918 9.8259  138.254 10.238 845.583 27.439 803.208 30.099 42.37488       40.72922 
1 1 1 -7  13 4  o 895.716 29.312 171.842 11.119 0.0000  0.0000  171.842 11.119 ?       ?      895.716 29.312 0.000000       29.31184 
1 1 1 -7  13 5  o 569.305 18.461 68.937  4.4507 67.676  6.1325  70.340  6.4697 562.889 25.726 573.683 26.630 -10.79358      37.02642 
1 1 1 -7  13 6  o 885.727 27.102 167.671 10.166 167.671 10.166  0.0000  0.0000 885.727 27.102 ?       ?      0.000000       27.10235 
1 1 1 -7  13 7  o 445.573 23.580 42.437  4.4336 42.437  4.4336  0.0000  0.0000 445.573 23.580 ?       ?      0.000000       23.57988 
1 1 1 -7  13 8  o 364.098 16.641 28.158  2.5659 27.788  3.4248  28.632  3.8741 360.538 22.544 365.565 25.178 -5.026398      33.79535 
1 1 1 -7  13 9  o 869.121 14.776 160.308 5.4386 164.610 8.9035  157.748 6.8690 879.097 23.916 861.547 18.827 17.55054       30.43681 
1 1 1 -7  13 10 f 269.749 12.675 15.431  1.4479 17.078  2.3702  14.451  1.8288 282.771 19.920 260.366 16.673 22.40497       25.97704 
1 1 1 -7  13 11 f 699.074 12.947 103.631 3.8330 97.178  6.3853  107.267 4.7925 675.994 22.304 710.966 15.917 -34.97198      27.40159 
1 1 1 -7  13 12 o 493.518 12.076 51.633  2.5240 56.041  4.2605  49.250  3.1329 513.661 19.586 481.820 15.354 31.84152       24.88655 
1 1 1 -7  13 13 f 1025.43 18.080 223.219 7.8513 228.744 10.921  217.308 11.296 1036.86 24.870 1010.30 26.401 26.56018       36.27015 
1 1 1 -7  13 14 o 1167.69 15.841 289.285 7.8333 293.069 9.6971  282.181 13.289 1174.70 19.493 1151.02 27.262 23.67480       33.51394 
1 1 1 -7  13 15 o 203.998 13.301 8.8621  1.1428 9.7621  1.4363  7.3094  1.8867 213.897 15.972 183.674 24.897 30.22353       29.57928 
1 1 1 -7  13 16 o 469.504 12.406 46.740  2.4667 47.356  3.0859  45.651  4.1052 472.408 15.425 463.415 20.918 8.993164       25.99006 
1 1 1 -7  13 17 o 937.157 14.557 186.357 5.7774 184.766 7.2101  189.212 9.6566 932.589 18.256 942.577 24.192 -9.987244      30.30706 
1 1 1 -7  13 18 o 888.571 24.243 168.255 9.1226 0.0000  0.0000  168.255 9.1226 ?       ?      888.571 24.243 0.000000       24.24280 
1 1 1 -7  13 19 o 673.841 15.714 96.426  4.4842 95.016  6.1334  98.044  6.5726 668.021 21.681 678.369 22.878 -10.34796      31.51934 
1 1 1 -7  13 20 o 270.952 30.097 15.907  3.3952 0.0000  0.0000  15.907  3.3952 ?       ?      270.952 30.097 0.000000       30.09741 
1 1 1 -7  13 21 o 491.879 30.273 52.043  6.2753 0.0000  0.0000  52.043  6.2753 ?       ?      491.879 30.273 0.000000       30.27260 
1 1 1 -7  13 22 o 505.494 14.587 54.283  3.1226 56.835  4.8684  52.499  4.0702 516.123 22.274 496.503 19.357 19.62027       29.50974 
1 1 1 -7  13 23 o 586.331 19.221 73.308  4.7728 74.434  6.0706  71.485  7.7236 589.580 24.313 574.662 31.862 14.91754       40.07855 
1 1 1 -7  13 24 o 118.263 25.632 3.1196  1.2467 2.3007  1.6921  4.0920  1.8439 104.156 33.659 134.736 32.656 -30.58090      46.89729 
1 1 1 -7  13 25 o 274.825 17.353 16.187  2.0093 15.807  2.9779  16.504  2.7224 269.445 26.438 276.158 23.502 -6.713409      35.37346 
1 1 1 -7  13 26 o 378.789 16.189 30.628  2.5970 32.097  4.0102  29.567  3.4081 384.960 24.729 370.339 21.827 14.62180       32.98439 
1 1 1 -7  13 27 o 435.179 16.349 40.503  3.0130 42.886  4.7403  38.887  3.9029 444.062 25.312 424.248 21.797 19.81409       33.40331 
1 1 1 -7  13 28 o 275.064 17.802 16.321  2.0625 17.666  3.1515  15.313  2.7279 283.107 26.598 264.164 24.670 18.94321       36.27726 
1 1 1 -7  13 29 o 420.638 20.610 38.282  3.6713 36.234  4.6830  41.547  5.9139 405.082 27.461 430.279 32.700 -25.19650      42.70071 
1 1 1 -7  13 30 o 368.077 23.684 29.789  3.6722 0.0000  0.0000  29.789  3.6722 ?       ?      368.077 23.684 0.000000       23.68416 
1 1 1 -7  13 31 o 327.333 20.718 23.446  2.8571 22.165  3.7552  25.208  4.4027 313.711 28.579 332.506 31.648 -18.79489      42.64228 
1 1 1 -7  14 1  o 1017.65 31.350 221.725 13.511 0.0000  0.0000  221.725 13.511 ?       ?      1017.65 31.350 0.000000       31.34987 
1 1 1 -7  14 2  o 720.772 19.858 110.518 6.0616 113.166 8.3961  107.636 8.7603 727.865 27.238 709.405 29.160 18.45935       39.90255 
1 1 1 -7  14 3  o 522.348 18.813 58.023  4.1615 60.218  5.7819  55.664  5.9944 531.148 25.705 509.575 27.883 21.57370       37.92393 
1 1 1 -7  14 4  o 406.802 18.438 35.187  3.1764 35.764  4.4119  34.567  4.5768 408.549 25.630 401.347 27.086 7.201813       37.29001 
1 1 1 -7  14 5  o 730.681 27.379 114.076 8.4720 0.0000  0.0000  114.076 8.4720 ?       ?      730.681 27.379 0.000000       27.37873 
1 1 1 -7  14 6  o 726.213 27.049 112.630 8.3186 0.0000  0.0000  112.630 8.3186 ?       ?      726.213 27.049 0.000000       27.04852 
1 1 1 -7  14 7  o 216.486 24.395 10.114  2.1975 10.114  2.1975  0.0000  0.0000 216.486 24.395 ?       ?      0.000000       24.39489 
1 1 1 -7  14 8  o 262.432 16.566 14.683  1.8317 16.735  2.4756  12.199  2.7229 279.702 21.054 237.523 27.583 42.17900       34.70009 
1 1 1 -7  14 9  o 753.076 16.619 120.407 5.3000 120.922 7.3261  119.841 7.6769 753.774 22.950 750.191 24.164 3.583740       33.32591 
1 1 1 -7  14 10 o 702.485 13.345 104.659 3.9701 106.889 6.5423  103.360 4.9950 708.990 21.789 697.774 16.904 11.21539       27.57724 
1 1 1 -7  14 11 o 1169.00 15.752 289.961 7.7980 287.966 13.177  291.036 9.6737 1162.71 26.761 1170.52 19.515 -7.805908      33.12114 
1 1 1 -7  14 12 o 680.632 12.784 98.220  3.6848 86.551  6.1868  104.635 4.5872 638.010 22.898 702.299 15.423 -64.28882      27.60797 
1 1 1 -7  14 13 o 471.179 14.997 47.092  2.9924 0.0000  0.0000  47.092  2.9924 ?       ?      471.179 14.997 0.000000       14.99656 
1 1 1 -7  14 14 o 766.336 13.243 124.528 4.2979 123.637 7.3336  124.994 5.3043 762.544 22.709 767.487 16.320 -4.943237      27.96520 
1 1 1 -7  14 15 o 542.816 11.163 62.457  2.5661 61.563  3.6248  63.357  3.6333 538.617 15.891 546.422 15.701 -7.805237      22.33959 
1 1 1 -7  14 16 o 300.464 12.941 19.146  1.6467 17.936  2.0004  21.689  2.9001 290.224 16.342 318.626 21.621 -28.40207      27.10202 
1 1 1 -7  14 17 o 595.187 16.279 75.215  4.1033 75.215  4.1033  0.0000  0.0000 595.187 16.279 ?       ?      0.000000       16.27944 
1 1 1 -7  14 18 o 976.395 21.310 202.900 8.8115 235.106 12.488  170.968 12.435 1049.06 28.109 893.140 32.876 155.9171       43.25439 
1 1 1 -7  14 19 o 302.154 28.070 19.680  3.5508 0.0000  0.0000  19.680  3.5508 ?       ?      302.154 28.070 0.000000       28.07009 
1 1 1 -7  14 20 o 666.737 18.146 94.524  5.1237 0.0000  0.0000  94.524  5.1237 ?       ?      666.737 18.146 0.000000       18.14631 
1 1 1 -7  14 21 o 471.761 15.820 47.288  3.1605 48.243  4.2402  46.095  4.7410 475.871 21.040 464.082 24.207 11.78833       32.07272 
1 1 1 -7  14 22 o 394.267 14.507 33.028  2.4222 32.383  3.7050  33.510  3.2010 388.810 22.599 396.637 19.057 -7.826874      29.56127 
1 1 1 -7  14 23 o 350.951 15.241 26.202  2.2652 26.858  3.4270  25.694  3.0187 353.532 23.015 346.248 20.681 7.284668       30.94212 
1 1 1 -7  14 24 o 264.560 17.420 14.994  1.9409 14.027  2.8732  15.804  2.6322 253.741 27.160 270.474 23.204 -16.73291      35.72264 
1 1 1 -7  14 25 o 308.671 19.868 20.481  2.5834 21.280  3.2851  19.188  4.1820 313.318 24.966 294.426 34.176 18.89236       42.32331 
1 1 1 -7  14 26 o 219.245 19.911 10.389  1.8286 8.7942  2.6191  11.906  2.5541 198.185 32.320 233.160 26.328 -34.97495      41.68592 
1 1 1 -7  14 27 o 342.594 16.572 25.124  2.4043 21.587  3.7339  27.629  3.1425 313.121 28.469 357.573 20.842 -44.45224      35.28325 
1 1 1 -7  14 28 o 342.768 16.969 25.222  2.4632 24.740  3.7861  25.576  3.2434 335.075 26.908 342.729 22.471 -7.653717      35.05701 
1 1 1 -7  14 29 o 276.994 21.499 16.736  2.5022 16.236  3.0998  17.673  4.2392 270.331 27.458 277.090 37.054 -6.759064      46.11887 
1 1 1 -7  14 30 o 379.061 32.561 32.677  5.1763 0.0000  0.0000  32.677  5.1763 ?       ?      379.061 32.561 0.000000       32.56114 
1 1 1 -7  14 31 f 363.320 20.518 28.861  3.1440 30.133  4.1178  27.082  4.8686 367.354 26.650 342.708 33.994 24.64578       43.19534 
1 1 1 -7  15 1  o 626.181 28.439 83.727  7.5416 0.0000  0.0000  83.727  7.5416 ?       ?      626.181 28.439 0.000000       28.43933 
1 1 1 -7  15 2  o 284.491 20.065 17.297  2.4019 19.709  3.3568  14.767  3.4382 302.808 26.442 260.785 31.790 42.02255       41.34945 
1 1 1 -7  15 3  o 347.601 18.905 25.762  2.7725 26.581  3.7943  24.824  4.0612 352.101 25.622 339.692 28.494 12.40906       38.31940 
1 1 1 -7  15 4  o 277.638 19.073 16.465  2.2289 16.376  3.0481  16.568  3.2677 275.780 26.422 277.081 28.242 -1.300903      38.67518 
1 1 1 -7  15 5  o 385.947 17.771 31.652  2.9046 32.982  4.0085  30.180  4.2147 392.655 24.225 375.119 26.705 17.53528       36.05551 
1 1 1 -7  15 6  o 781.212 27.177 130.259 8.9911 0.0000  0.0000  130.259 8.9911 ?       ?      781.212 27.177 0.000000       27.17700 
1 1 1 -7  15 7  o 403.585 25.577 34.858  4.3488 0.0000  0.0000  34.858  4.3488 ?       ?      403.585 25.577 0.000000       25.57669 
1 1 1 -7  15 8  o 318.509 13.679 21.520  1.8451 21.335  3.0460  21.628  2.3189 315.796 22.932 318.670 17.247 -2.874542      28.69417 
1 1 1 -7  15 9  o 470.699 15.299 47.014  3.0497 45.932  4.2662  48.144  4.3611 464.756 21.676 475.820 21.643 -11.06390      30.63064 
1 1 1 -7  15 10 o 376.609 14.892 30.090  2.3752 33.359  3.4155  27.028  3.3053 395.688 20.452 355.859 22.041 39.82919       30.06832 
1 1 1 -7  15 11 o 734.956 15.582 114.601 4.8499 116.240 6.8899  112.991 6.8281 739.475 22.001 729.051 22.116 10.42419       31.19533 
1 1 1 -7  15 12 o 1035.04 17.783 227.412 7.7948 238.792 11.098  216.333 10.951 1059.39 24.737 1008.16 25.649 51.23187       35.63371 
1 1 1 -7  15 13 o 508.010 12.700 54.717  2.7323 56.515  3.5049  51.930  4.3623 516.094 16.036 494.368 20.836 21.72629       26.29284 
1 1 1 -7  15 14 o 446.775 14.852 42.344  2.8100 43.716  4.0095  41.020  3.9394 453.548 20.875 439.316 21.174 14.23248       29.73392 
1 1 1 -7  15 15 o 1611.53 23.934 552.720 16.334 591.368 22.884  512.574 23.323 1663.36 32.486 1547.14 35.596 116.2216       48.19177 
1 1 1 -7  15 16 o 790.195 18.129 132.640 6.0666 128.453 8.4211  137.158 8.7472 776.387 25.612 802.234 25.747 -25.84705      36.31639 
1 1 1 -7  15 17 o 438.686 28.003 41.256  5.1752 41.256  5.1752  0.0000  0.0000 438.686 28.003 ?       ?      0.000000       28.00282 
1 1 1 -7  15 18 o 307.728 15.761 20.162  2.0470 28.431  4.5271  18.037  2.2951 363.390 29.676 290.667 18.745 72.72232       35.10057 
1 1 1 -7  15 19 o 133.906 18.172 3.8815  1.0039 3.7106  1.4513  4.0384  1.3902 129.379 27.343 135.441 25.163 -6.062363      37.15956 
1 1 1 -7  15 20 o 690.339 14.246 101.178 4.1650 95.347  6.4587  105.330 5.4494 668.769 22.805 703.755 18.284 -34.98608      29.22984 
1 1 1 -7  15 21 o 387.780 17.010 31.974  2.7935 33.400  3.4365  29.196  4.7963 395.426 20.593 367.505 31.110 27.92136       37.30783 
1 1 1 -7  15 22 o 558.507 14.312 66.286  3.3852 66.827  5.2555  65.902  4.4256 559.391 22.185 556.172 18.790 3.218567       29.07251 
1 1 1 -7  15 23 o 371.818 15.055 29.416  2.3706 30.326  3.5533  28.687  3.1824 375.765 22.431 365.836 20.625 9.928589       30.47230 
1 1 1 -7  15 24 o 195.184 17.862 8.1990  1.4601 9.4904  2.1083  7.0088  2.0240 208.790 24.298 178.207 27.720 30.58235       36.86170 
1 1 1 -7  15 25 o 147.983 18.555 4.7549  1.1373 4.0337  1.5263  5.6550  1.7052 134.152 27.780 159.888 26.083 -25.73586      38.10588 
1 1 1 -7  15 26 o 594.959 16.264 75.623  4.0978 70.869  6.4558  78.832  5.3031 571.689 26.665 605.797 20.671 -34.10809      33.73908 
1 1 1 -7  15 27 f 192.872 20.349 8.0982  1.6370 7.4071  2.2850  8.8268  2.3464 181.191 30.886 198.928 28.681 -17.73656      42.14922 
1 1 1 -7  15 28 o 291.259 21.095 18.446  2.5844 18.978  3.3193  17.626  4.1184 293.029 27.054 278.022 35.811 15.00699       44.88146 
1 1 1 -7  15 29 o 465.182 17.060 46.557  3.3608 49.387  5.2403  44.580  4.3803 473.376 26.243 451.771 22.971 21.60507       34.87608 
1 1 1 -7  15 30 o 196.824 37.941 9.2128  3.0478 0.0000  0.0000  9.2128  3.0478 ?       ?      196.824 37.941 0.000000       37.94053 
1 1 1 -7  15 31 o 289.248 18.467 18.214  2.2503 21.050  3.2604  15.634  3.1098 307.484 25.262 263.029 28.367 44.45450       37.98429 
1 1 1 -7  16 1  o 396.219 28.648 33.674  4.7746 0.0000  0.0000  33.674  4.7746 ?       ?      396.219 28.648 0.000000       28.64782 
1 1 1 -7  16 2  o 754.423 19.686 120.984 6.2896 121.600 8.7474  120.324 9.0500 754.984 27.359 750.783 28.463 4.201294       39.48002 
1 1 1 -7  16 3  o 658.037 18.983 92.028  5.2899 85.867  7.3144  98.784  7.6597 634.394 27.225 680.562 26.577 -46.16846      38.04663 
1 1 1 -7  16 4  o 721.784 18.901 110.721 5.7773 113.723 8.0369  107.511 8.3106 730.307 25.986 709.758 27.649 20.54852       37.94395 
1 1 1 -7  16 5  o 574.117 18.136 70.028  4.4095 69.498  6.1014  70.608  6.3798 571.042 25.230 575.445 26.179 -4.402527      36.35825 
1 1 1 -7  16 6  o 377.862 17.412 30.324  2.7863 31.522  3.8439  28.998  4.0445 384.036 23.752 367.905 26.129 16.13074       35.31104 
1 1 1 -7  16 7  o 915.998 15.452 178.071 5.9941 179.661 9.8610  177.139 7.5487 918.311 25.356 912.978 19.524 5.333679       32.00209 
1 1 1 -7  16 8  o 620.994 17.380 81.880  4.5706 0.0000  0.0000  81.880  4.5706 ?       ?      620.994 17.380 0.000000       17.37973 
1 1 1 -7  16 9  o 446.934 16.172 42.392  3.0608 0.0000  0.0000  42.392  3.0608 ?       ?      446.934 16.172 0.000000       16.17167 
1 1 1 -7  16 10 o 317.696 15.641 21.414  2.1043 0.0000  0.0000  21.414  2.1043 ?       ?      317.696 15.641 0.000000       15.64073 
1 1 1 -7  16 11 o 534.832 12.510 60.644  2.8334 62.388  4.8041  59.715  3.5086 541.855 20.936 530.530 15.616 11.32477       26.11835 
1 1 1 -7  16 12 o 414.439 12.289 36.413  2.1568 34.163  3.7349  37.539  2.6418 400.289 22.118 420.680 14.829 -20.39078      26.62899 
1 1 1 -7  16 13 f 641.224 11.336 87.155  3.0783 88.046  4.5073  86.375  4.2144 644.113 16.524 638.050 15.597 6.062561       22.72204 
1 1 1 -7  16 14 o 771.415 11.730 126.157 3.8319 117.578 5.4903  134.305 5.3507 744.188 17.421 795.541 15.882 -51.35327      23.57365 
1 1 1 -7  16 15 f 897.612 14.428 170.937 5.4844 190.270 9.6115  161.604 6.6783 945.389 24.007 872.279 18.079 73.11041       30.05274 
1 1 1 -7  16 16 o 472.496 12.964 47.354  2.5941 48.429  4.2454  46.714  3.2770 477.163 21.009 469.040 16.498 8.122833       26.71240 
1 1 1 -7  16 17 o 329.008 15.147 22.980  2.1105 25.243  2.8617  20.280  3.1250 343.968 19.728 307.535 24.189 36.43246       31.21410 
1 1 1 -7  16 18 o 997.655 15.292 211.350 6.4608 218.870 10.633  206.949 8.1344 1012.92 24.789 986.348 19.474 26.57581       31.52319 
1 1 1 -7  16 19 o 286.388 13.940 17.410  1.6907 17.020  2.5296  17.725  2.2729 281.897 21.348 288.082 18.732 -6.184814      28.40128 
1 1 1 -7  16 20 o 546.244 13.678 63.341  3.1641 60.113  4.8668  65.704  4.1643 531.139 21.637 555.871 17.690 -24.73187      27.94787 
1 1 1 -7  16 21 o 118.651 22.946 3.1054  1.1113 3.0485  1.4226  3.1945  1.7800 116.959 28.891 120.093 33.651 -3.133514      44.35134 
1 1 1 -7  16 22 o 591.246 14.238 74.301  3.5651 78.270  5.5304  71.479  4.6633 605.354 21.573 579.053 19.017 26.30127       28.75786 
1 1 1 -7  16 23 o 339.952 14.720 24.592  2.1192 25.449  3.1696  23.899  2.8498 344.136 21.862 333.797 20.255 10.33932       29.80296 
1 1 1 -7  16 24 o 266.526 16.252 15.204  1.8256 16.418  2.6831  14.157  2.4912 275.522 23.212 255.706 23.259 19.81548       32.85982 
1 1 1 -7  16 25 o 222.560 18.607 10.671  1.7376 9.6733  2.4581  11.667  2.4567 209.394 28.457 231.123 25.525 -21.72981      38.22755 
1 1 1 -7  16 26 o 505.668 16.507 54.671  3.5350 45.798  5.4105  61.280  4.6694 457.888 28.037 533.907 20.652 -76.01932      34.82193 
1 1 1 -7  16 27 o 298.646 20.906 19.343  2.6274 19.315  3.2430  19.396  4.4821 296.500 26.093 291.921 37.093 4.578796       45.35113 
1 1 1 -7  16 28 o 453.976 19.646 44.494  3.7770 46.960  4.9138  40.932  5.9045 462.942 25.158 427.044 32.902 35.89804       41.41846 
1 1 1 -7  16 29 o 148.710 38.768 5.2744  2.4665 0.0000  0.0000  5.2744  2.4665 ?       ?      148.710 38.768 0.000000       38.76818 
1 1 1 -7  16 30 o 344.930 17.686 25.799  2.5748 26.085  3.8968  25.577  3.4304 341.486 27.170 340.135 23.968 1.350403       36.23131 
1 1 1 -7  16 31 o 272.794 18.872 16.233  2.1668 17.644  3.1713  14.997  2.9675 280.264 27.055 257.914 27.597 22.34976       38.64723 
1 1 1 -7  17 1  o 411.698 19.179 36.007  3.3439 36.837  4.6529  35.121  4.8089 414.948 26.618 404.871 28.223 10.07724       38.79552 
1 1 1 -7  17 2  o 870.100 28.190 161.484 10.387 161.484 10.387  0.0000  0.0000 870.100 28.190 ?       ?      0.000000       28.19006 
1 1 1 -7  17 3  o 596.141 18.590 75.497  4.6933 73.873  6.5123  77.251  6.7696 588.763 26.119 602.008 26.553 -13.24542      37.24612 
1 1 1 -7  17 4  o 672.963 18.511 96.208  5.2754 87.850  7.2853  105.421 7.6490 641.924 26.799 703.393 25.678 -61.46912      37.11545 
1 1 1 -7  17 5  o 1080.97 20.699 248.423 9.4755 245.163 13.138  251.956 13.680 1071.79 28.944 1086.30 29.736 -14.51196      41.49686 
1 1 1 -7  17 6  o 502.806 17.312 53.680  3.6863 51.033  4.9881  56.866  5.4717 489.621 24.057 516.738 25.004 -27.11667      34.69753 
1 1 1 -7  17 7  o 211.381 15.261 9.5299  1.3569 9.7155  2.0683  9.3897  1.7980 212.419 23.379 209.189 20.561 3.230148       31.13392 
1 1 1 -7  17 8  o 345.338 13.474 25.292  1.9706 25.154  3.3250  25.367  2.4465 343.119 23.016 345.702 16.711 -2.583282      28.44280 
1 1 1 -7  17 9  o 484.337 13.155 49.743  2.6983 57.853  4.5242  45.265  3.3616 521.800 20.474 461.791 17.189 60.00912       26.73286 
1 1 1 -7  17 10 o 522.577 15.677 57.940  3.4694 0.0000  0.0000  57.940  3.4694 ?       ?      522.577 15.677 0.000000       15.67676 
1 1 1 -7  17 11 o 865.030 17.254 158.820 6.3208 0.0000  0.0000  158.820 6.3208 ?       ?      865.030 17.254 0.000000       17.25439 
1 1 1 -7  17 12 o 394.735 13.092 33.040  2.1885 33.704  4.4023  32.821  2.5223 396.981 26.335 393.337 15.142 3.644287       30.37787 
1 1 1 -7  17 13 o 770.094 13.797 125.779 4.4997 125.451 8.3997  125.910 5.3288 767.531 25.842 770.246 16.336 -2.714600      30.57251 
1 1 1 -7  17 14 o 754.955 16.260 120.976 5.1984 0.0000  0.0000  120.976 5.1984 ?       ?      754.955 16.260 0.000000       16.25951 
1 1 1 -7  17 15 o 535.836 12.894 60.896  2.9259 66.807  5.1535  58.084  3.5543 560.401 21.715 523.083 16.045 37.31744       26.99977 
1 1 1 -7  17 16 o 387.999 11.746 31.924  1.9300 31.790  2.7400  32.057  2.7191 386.886 16.723 388.519 16.526 -1.633881      23.51098 
1 1 1 -7  17 17 o 350.792 18.025 26.224  2.6687 27.954  4.3732  25.197  3.3686 360.463 28.891 343.088 23.323 17.37512       37.13036 
1 1 1 -7  17 18 o 1252.61 17.633 333.533 9.3539 352.805 17.092  325.294 11.176 1282.87 31.461 1235.93 21.353 46.93872       38.02288 
1 1 1 -7  17 19 o 392.765 13.112 32.738  2.1810 33.117  3.3524  32.460  2.8719 393.921 20.163 390.763 17.354 3.158142       26.60322 
1 1 1 -7  17 20 o 228.483 15.187 11.138  1.4611 12.504  2.1188  9.9004  2.0176 241.370 20.936 214.303 22.570 27.06694       30.78514 
1 1 1 -7  17 21 o 498.515 16.947 52.870  3.5778 52.754  4.4579  53.081  5.9977 497.313 21.167 496.559 28.643 0.7540588      35.61539 
1 1 1 -7  17 22 o 192.854 16.326 7.9734  1.3209 8.1237  1.8716  7.8242  1.8644 193.465 23.314 189.729 23.723 3.735703       33.26096 
1 1 1 -7  17 23 o 296.584 14.956 18.774  1.8724 18.542  2.7330  18.978  2.5703 293.368 22.162 297.173 20.550 -3.805359      30.22334 
1 1 1 -7  17 24 o 195.435 17.959 8.2282  1.4697 6.4919  2.1035  9.8842  2.0543 170.553 30.231 213.256 23.117 -42.70317      38.05616 
1 1 1 -7  17 25 o 142.442 22.664 4.4690  1.3213 4.1569  1.8472  4.7960  1.8909 135.228 32.630 145.556 31.583 -10.32716      45.41172 
1 1 1 -7  17 26 o 309.973 17.651 20.651  2.3075 18.092  3.3740  22.899  3.1629 286.765 28.146 324.784 23.147 -38.01913      36.44099 
1 1 1 -7  17 27 o 477.665 19.280 49.160  3.9002 51.092  5.0383  46.271  6.1609 483.735 24.676 455.525 32.143 28.21002       40.52242 
1 1 1 -7  17 28 o 394.433 19.883 33.704  3.3106 31.091  4.2094  37.939  5.3601 375.438 26.649 412.108 30.939 -36.67020      40.83306 
1 1 1 -7  17 29 o 257.763 24.664 14.712  2.6595 0.0000  0.0000  14.712  2.6595 ?       ?      257.763 24.664 0.000000       24.66391 
1 1 1 -7  17 30 o 198.943 20.382 8.7086  1.6930 7.1524  2.5492  9.9365  2.2645 173.458 35.887 210.296 25.979 -36.83830      44.30314 
1 1 1 -7  17 31 o 211.354 19.962 9.8115  1.7656 11.224  2.5966  8.5963  2.4079 222.431 28.198 193.206 30.436 29.22444       41.49125 
1 1 1 -7  18 1  o 773.170 19.846 126.998 6.4983 126.055 9.0355  128.008 9.3526 769.088 27.742 774.883 28.500 -5.795227      39.77276 
1 1 1 -7  18 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  18 3  o 851.173 19.674 153.932 7.0916 148.931 9.8862  159.232 10.178 835.792 27.931 864.239 27.810 -28.44641      39.41494 
1 1 1 -7  18 4  o 870.061 19.544 160.836 7.2011 160.100 10.001  161.628 10.377 866.689 27.248 870.622 28.145 -3.932861      39.17438 
1 1 1 -7  18 5  o 381.697 18.148 30.940  2.9335 29.496  4.0504  32.532  4.2543 371.240 25.926 389.965 25.908 -18.72565      36.65257 
1 1 1 -7  18 6  o 700.415 17.908 104.168 5.3118 98.846  7.1702  110.641 7.9078 681.413 24.847 720.754 25.908 -39.34033      35.89690 
1 1 1 -7  18 7  o 252.867 17.625 13.641  1.8756 13.418  2.4877  13.933  2.8551 250.019 23.782 254.344 26.916 -4.324432      35.91710 
1 1 1 -7  18 8  o 601.315 13.742 76.682  3.4994 77.220  5.7261  76.361  4.4210 602.642 22.436 599.776 17.405 2.866272       28.39617 
1 1 1 -7  18 9  o 701.156 13.573 104.254 4.0303 108.434 6.7185  101.905 5.0374 714.177 22.214 692.900 17.167 21.27698       28.07403 
1 1 1 -7  18 10 o 222.170 13.947 10.509  1.3056 12.362  2.4619  9.7840  1.5400 239.803 24.590 214.023 17.135 25.78084       29.97147 
1 1 1 -7  18 11 o 782.561 13.516 129.867 4.4793 137.402 7.5735  125.814 5.5550 803.915 22.246 769.913 17.037 34.00256       28.02015 
1 1 1 -7  18 12 o 176.274 13.906 6.6311  1.0297 7.1917  1.6252  6.2552  1.3308 182.705 21.410 170.606 18.728 12.09906       28.44526 
1 1 1 -7  18 13 o 743.721 11.817 117.267 3.7218 114.187 5.4041  120.047 5.1331 733.352 17.401 752.080 16.117 -18.72736      23.71769 
1 1 1 -7  18 14 o 487.888 11.046 50.462  2.2823 49.895  3.3119  50.974  3.1496 484.823 16.131 490.104 15.175 -5.281281      22.14664 
1 1 1 -7  18 15 o 516.835 11.311 56.637  2.4756 57.470  3.5566  55.853  3.4479 520.266 16.142 512.916 15.873 7.349976       22.63938 
1 1 1 -7  18 16 o 673.167 13.347 96.147  3.8051 86.012  6.3357  101.866 4.7589 635.343 23.547 692.563 16.226 -57.22046      28.59645 
1 1 1 -7  18 17 o 259.418 20.642 14.413  2.2490 18.437  3.8344  12.303  2.7768 291.676 31.545 238.308 28.052 53.36801       42.21376 
1 1 1 -7  18 18 o 612.494 14.688 79.658  3.8098 88.569  7.5935  76.660  4.4042 643.524 27.863 600.533 17.318 42.99109       32.80640 
1 1 1 -7  18 19 o 752.419 12.801 120.142 4.0789 114.687 5.7672  125.602 5.7698 734.247 18.547 768.548 17.728 -34.30090      25.65660 
1 1 1 -7  18 20 o 192.756 16.271 7.9540  1.3158 7.4310  1.9110  8.4253  1.8143 184.833 25.060 197.559 22.062 -12.72566      33.38762 
1 1 1 -7  18 21 o 646.986 17.412 89.112  4.7708 89.668  6.0210  88.175  7.8202 647.979 21.941 640.593 28.826 7.385986       36.22676 
1 1 1 -7  18 22 o 652.047 14.398 90.432  3.9758 91.729  6.1524  89.502  5.2097 654.692 22.190 647.612 18.996 7.079712       29.21044 
1 1 1 -7  18 23 o 336.104 14.824 24.056  2.1099 25.296  3.1234  23.015  2.8616 342.917 21.618 327.230 20.757 15.68671       29.96998 
1 1 1 -7  18 24 o 146.869 20.661 4.7123  1.2495 5.7380  1.7814  3.7189  1.7531 160.807 27.124 128.115 32.316 32.69263       42.19011 
1 1 1 -7  18 25 o 182.622 19.291 7.2265  1.4694 7.3296  2.0931  7.1263  2.0633 181.701 28.108 179.105 28.129 2.595840       39.76609 
1 1 1 -7  18 26 f 608.920 18.726 79.642  4.8290 71.750  6.4584  89.649  7.2724 573.849 26.576 641.306 26.777 -67.45776      37.72647 
1 1 1 -7  18 27 o 402.116 19.519 34.886  3.3239 34.824  4.2123  34.988  5.4112 398.652 25.079 395.055 32.636 3.597992       41.15887 
1 1 1 -7  18 28 o 219.436 30.287 10.872  2.7395 0.0000  0.0000  10.872  2.7395 ?       ?      219.436 30.287 0.000000       30.28690 
1 1 1 -7  18 29 o 517.013 17.049 57.673  3.7328 49.074  5.6294  64.421  4.9868 468.426 28.513 543.319 21.673 -74.89316      35.81538 
1 1 1 -7  18 30 o 184.184 19.517 7.4573  1.4991 8.1026  2.0634  6.7358  2.1818 189.311 26.460 170.149 31.436 19.16148       41.08995 
1 1 1 -7  19 1  o 233.030 20.576 11.626  2.0098 9.3324  2.7822  14.129  2.9063 206.554 32.910 256.145 27.209 -49.59088      42.70157 
1 1 1 -7  19 2  o 851.760 27.769 154.590 10.017 154.590 10.017  0.0000  0.0000 851.760 27.769 ?       ?      0.000000       27.76871 
1 1 1 -7  19 3  o 928.479 20.023 183.150 7.8731 189.403 10.954  176.468 11.323 942.818 27.435 909.637 29.394 33.18140       40.20857 
1 1 1 -7  19 4  o 919.308 19.749 179.538 7.6885 176.750 10.627  182.599 11.137 910.737 27.554 925.497 28.415 -14.75928      39.58066 
1 1 1 -7  19 5  o 1006.77 16.349 215.103 6.9706 208.480 11.568  218.879 8.7345 989.109 27.616 1014.95 20.321 -25.84448      34.28679 
1 1 1 -7  19 6  o 253.619 15.547 13.698  1.6618 15.442  2.7047  12.641  2.1062 268.346 24.055 243.035 20.660 25.31067       31.70948 
1 1 1 -7  19 7  o 735.445 17.644 114.821 5.4953 116.740 7.4210  112.493 8.1767 740.811 23.655 726.776 26.567 14.03516       35.57132 
1 1 1 -7  19 8  o 295.671 17.020 18.616  2.1221 17.903  2.9269  19.406  3.0813 289.095 24.128 301.035 24.379 -11.94022      34.29989 
1 1 1 -7  19 9  o 487.454 13.320 50.385  2.7496 48.168  4.5480  51.663  3.4519 475.970 22.563 493.404 16.520 -17.43436      27.96407 
1 1 1 -7  19 10 o 695.149 13.296 102.471 3.9143 113.424 6.6901  96.770  4.8267 730.483 21.626 675.235 16.879 55.24799       27.43356 
1 1 1 -7  19 11 o 292.121 12.989 18.095  1.6069 16.428  2.7660  18.944  1.9742 276.868 23.822 298.391 15.678 -21.52264      28.51806 
1 1 1 -7  19 12 o 653.837 11.654 90.631  3.2271 91.712  4.7317  89.691  4.4125 657.278 16.999 650.089 16.028 7.188721       23.36344 
1 1 1 -7  19 13 o 586.224 11.288 72.855  2.8023 70.852  4.0804  74.644  3.8553 577.700 16.678 593.073 15.350 -15.37372      22.66680 
1 1 1 -7  19 14 o 480.424 11.092 48.934  2.2568 50.048  3.2979  47.952  3.0948 485.531 16.039 475.310 15.375 10.22134       22.21811 
1 1 1 -7  19 15 o 496.768 11.286 52.328  2.3744 56.159  3.4419  48.849  3.2797 514.284 15.804 479.621 16.147 34.66318       22.59363 
1 1 1 -7  19 16 o 435.941 11.794 40.308  2.1774 40.132  3.1170  40.476  3.0428 434.606 16.936 436.506 16.461 -1.899963      23.61705 
1 1 1 -7  19 17 o 430.402 14.379 39.328  2.6209 39.207  5.1835  39.370  3.0379 427.108 28.827 430.436 16.665 -3.328247      33.29727 
1 1 1 -7  19 18 o 1157.79 14.435 284.622 7.0776 289.511 10.045  279.803 9.9739 1166.10 20.341 1146.32 20.545 19.78186       28.91124 
1 1 1 -7  19 19 o 383.468 12.512 31.205  2.0318 30.710  2.9078  31.677  2.8402 379.960 18.071 385.964 17.377 -6.003143      25.07009 
1 1 1 -7  19 20 o 229.340 15.281 11.228  1.4756 11.594  2.1656  10.910  2.0161 232.034 22.314 225.174 21.400 6.860809       30.91677 
1 1 1 -7  19 21 o 265.607 17.019 15.082  1.9042 13.557  2.4206  17.558  3.0845 250.724 23.055 285.002 25.837 -34.27745      34.62782 
1 1 1 -7  19 22 o 582.725 14.064 72.235  3.4706 67.579  5.3376  75.646  4.5682 561.632 22.441 595.417 18.117 -33.78516      28.84151 
1 1 1 -7  19 23 o 87.716  25.394 1.6936  0.9974 2.4509  1.4148  0.9453  1.4064 105.026 30.198 78.846  30.166 26.17958       42.68426 
1 1 1 -7  19 24 o 243.845 16.216 12.748  1.6651 12.727  2.3821  12.768  2.3283 242.004 23.541 242.553 22.939 -0.5484924     32.86920 
1 1 1 -7  19 25 f 98.006  29.319 2.1251  1.3114 1.9463  1.4779  2.7873  2.8439 95.820  31.487 119.431 43.438 -23.61044      53.64991 
1 1 1 -7  19 26 o 319.952 24.255 22.357  3.2620 22.357  3.2620  0.0000  0.0000 319.952 24.255 ?       ?      0.000000       24.25496 
1 1 1 -7  19 27 o 286.520 24.417 18.033  2.9344 0.0000  0.0000  18.033  2.9344 ?       ?      286.520 24.417 0.000000       24.41657 
1 1 1 -7  19 28 o 211.205 30.443 10.113  2.6443 0.0000  0.0000  10.113  2.6443 ?       ?      211.205 30.443 0.000000       30.44302 
1 1 1 -7  19 29 o 204.277 19.239 9.1336  1.6447 8.6840  2.2320  9.6678  2.4329 195.811 27.688 206.340 28.611 -10.52876      39.81536 
1 1 1 -7  19 30 o 233.642 19.337 11.954  1.8961 10.124  2.6144  13.985  2.7542 209.920 30.284 249.390 26.483 -39.47003      40.23044 
1 1 1 -7  20 1  o 586.144 26.405 73.147  6.5544 73.147  6.5544  0.0000  0.0000 586.144 26.405 ?       ?      0.000000       26.40504 
1 1 1 -7  20 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  20 3  o 469.682 18.275 46.837  3.6351 50.891  5.1075  42.676  5.1748 488.418 24.774 446.747 27.485 41.67081       37.00259 
1 1 1 -7  20 4  o 434.757 18.045 40.129  3.3224 43.120  4.5790  36.803  4.8282 449.564 24.139 414.711 27.650 34.85229       36.70435 
1 1 1 -7  20 5  o 822.847 15.469 143.648 5.3905 138.268 8.8296  146.844 6.8061 805.882 25.872 831.498 19.328 -25.61597      32.29451 
1 1 1 -7  20 6  o 640.135 14.319 86.912  3.8818 82.748  6.2694  89.502  4.9434 623.700 23.736 649.288 17.978 -25.58771      29.77596 
1 1 1 -7  20 7  o 765.058 14.507 124.150 4.7001 130.704 7.8013  120.416 5.8888 783.904 23.500 753.065 18.465 30.83972       29.88635 
1 1 1 -7  20 8  o 935.896 18.377 185.978 7.2838 181.721 9.7994  191.233 10.888 924.038 25.042 947.495 27.135 -23.45758      36.92416 
1 1 1 -7  20 9  o 358.613 16.536 27.293  2.5112 29.448  3.4542  24.877  3.6574 371.528 22.053 340.899 25.519 30.62857       33.72727 
1 1 1 -7  20 10 o 702.945 13.355 104.789 3.9756 100.225 6.6714  107.302 4.9506 686.452 22.949 711.047 16.441 -24.59497      28.23021 
1 1 1 -7  20 11 o 298.365 11.941 18.874  1.5088 19.386  2.2471  18.453  2.0359 301.650 17.667 294.401 16.395 7.248779       24.10224 
1 1 1 -7  20 12 o 939.629 12.692 187.232 5.0505 188.391 7.3233  186.181 6.9746 941.760 18.362 936.340 17.589 5.419617       25.42706 
1 1 1 -7  20 13 o 407.078 11.210 35.133  1.9325 35.225  2.8320  35.053  2.6435 407.318 16.418 406.390 15.360 0.9278564      22.48289 
1 1 1 -7  20 14 o 453.598 11.232 43.626  2.1576 49.618  3.1532  38.351  2.9587 483.454 15.401 424.961 16.440 58.49240       22.52709 
1 1 1 -7  20 15 o 336.541 11.833 24.021  1.6864 26.538  2.4825  21.865  2.2980 353.456 16.585 320.353 17.000 33.10364       23.74965 
1 1 1 -7  20 16 o 432.343 11.755 39.648  2.1522 37.608  3.1118  41.518  2.9799 420.637 17.469 442.107 15.916 -21.47009      23.63188 
1 1 1 -7  20 17 o 766.617 14.741 124.799 4.7857 131.144 8.8295  122.160 5.6948 783.338 26.616 757.981 17.741 25.35657       31.98673 
1 1 1 -7  20 18 o 450.601 12.293 43.082  2.3458 44.863  3.3867  41.440  3.2522 459.343 17.410 441.470 17.395 17.87302       24.61118 
1 1 1 -7  20 19 o 257.642 14.075 14.139  1.5299 14.298  2.2052  13.991  2.1242 258.279 20.326 255.551 19.782 2.727905       28.36292 
1 1 1 -7  20 20 o 535.652 13.491 60.947  3.0604 56.737  4.7506  63.934  4.0014 515.516 21.760 548.074 17.240 -32.55768      27.76155 
1 1 1 -7  20 21 o 394.068 16.572 33.072  2.7655 32.477  3.5159  34.038  4.4786 389.186 21.415 397.076 26.790 -7.890503      34.29711 
1 1 1 -7  20 22 o 514.021 14.012 56.223  3.0503 60.081  4.6486  53.307  4.0421 529.822 20.718 499.457 19.110 30.36536       28.18591 
1 1 1 -7  20 23 o 170.498 17.922 6.2793  1.2747 5.6385  1.7554  6.9941  1.8539 159.446 26.958 178.433 25.239 -18.98706      36.92874 
1 1 1 -7  20 24 o 149.271 26.117 4.9545  1.5908 4.9545  1.5908  0.0000  0.0000 149.271 26.117 ?       ?      0.000000       26.11697 
1 1 1 -7  20 25 o 52.028  23.437 -0.5213 1.0881 -0.5213 1.0881  0.0000  0.0000 52.028  23.437 ?       ?      0.000000       23.43713 
1 1 1 -7  20 26 o 86.997  31.173 1.4657  1.4578 0.0000  0.0000  1.4657  1.4578 ?       ?      86.997  31.173 0.000000       31.17281 
1 1 1 -7  20 27 o 52.234  24.056 -0.8769 1.2295 0.0000  0.0000  -0.8769 1.2295 ?       ?      52.234  24.056 0.000000       24.05594 
1 1 1 -7  20 28 o 242.648 18.514 12.797  1.8881 14.133  2.6206  11.354  2.7226 252.572 24.821 224.138 29.391 28.43378       38.47002 
1 1 1 -7  20 29 o 105.644 27.201 2.5800  1.2242 2.4708  1.6162  2.7270  1.8752 103.942 32.823 109.109 35.450 -5.167709      48.31184 
1 1 1 -7  20 30 o 89.270  25.711 1.8169  1.0249 1.0818  1.2764  3.1504  1.7193 77.314  28.927 115.551 33.307 -38.23656      44.11498 
1 1 1 -7  21 1  o 703.308 26.738 105.327 7.9637 105.327 7.9637  0.0000  0.0000 703.308 26.738 ?       ?      0.000000       26.73789 
1 1 1 -7  21 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  21 3  o 1322.64 22.777 371.963 12.758 387.813 17.783  355.155 18.313 1348.10 31.149 1289.30 33.540 58.80298       45.77340 
1 1 1 -7  21 4  o 1217.09 17.782 314.458 9.1654 327.043 15.380  307.528 11.413 1238.49 29.324 1202.70 22.409 35.79333       36.90577 
1 1 1 -7  21 5  o 605.710 14.702 77.822  3.7712 78.595  6.1756  77.363  4.7622 607.827 23.991 603.599 18.630 4.228333       30.37536 
1 1 1 -7  21 6  o 353.586 14.495 26.518  2.1706 28.139  3.4575  25.464  2.7885 363.094 22.598 345.745 19.119 17.34857       29.60042 
1 1 1 -7  21 7  o 874.768 14.927 162.330 5.5300 157.219 9.0763  165.348 6.9739 859.468 24.936 882.404 18.662 -22.93610      31.14648 
1 1 1 -7  21 8  o 1291.89 17.275 354.290 9.4513 369.924 15.878  345.711 11.762 1317.26 28.463 1275.21 21.780 42.04651       35.84013 
1 1 1 -7  21 9  o 545.927 13.198 63.202  3.0513 68.894  5.0598  59.950  3.8252 569.329 20.986 531.431 16.997 37.89716       27.00539 
1 1 1 -7  21 10 o 262.966 18.387 14.758  2.0347 12.543  2.7015  17.662  3.0931 241.134 26.914 286.825 25.738 -45.69122      37.23994 
1 1 1 -7  21 11 o 279.726 15.084 16.652  1.7803 15.517  2.1634  19.032  3.1333 269.577 19.074 297.891 25.070 -28.31445      31.50130 
1 1 1 -7  21 12 o 732.010 11.995 113.624 3.7185 107.953 5.4106  118.699 5.1190 712.883 17.922 747.745 16.165 -34.86163      24.13525 
1 1 1 -7  21 13 o 492.502 11.344 51.431  2.3659 44.085  3.4311  58.090  3.2668 455.521 17.786 523.167 14.745 -67.64664      23.10329 
1 1 1 -7  21 14 o 625.632 13.097 83.044  3.4701 83.351  6.0962  82.897  4.2205 625.500 23.014 624.780 15.951 0.7197876      28.00137 
1 1 1 -7  21 15 o 274.928 15.002 16.097  1.7401 19.031  3.4180  15.070  2.0217 297.186 27.469 265.638 18.079 31.54791       32.88434 
1 1 1 -7  21 16 o 421.276 12.000 37.650  2.1409 34.721  3.1043  40.307  2.9564 404.069 18.141 435.566 16.028 -31.49655      24.20711 
1 1 1 -7  21 17 o 613.465 14.181 79.906  3.6840 76.429  6.8523  81.319  4.3692 597.825 27.066 618.544 16.680 -20.71948      31.79260 
1 1 1 -7  21 18 o 657.401 12.419 91.714  3.4574 94.085  4.9447  89.445  4.8362 665.114 17.555 648.498 17.610 16.61584       24.86522 
1 1 1 -7  21 19 o 421.850 12.811 37.781  2.2888 42.437  3.2899  33.413  3.1862 446.600 17.395 396.097 18.994 50.50320       25.75586 
1 1 1 -7  21 20 f 371.668 14.127 29.361  2.2235 28.451  3.3995  30.042  2.9394 364.202 22.146 375.443 18.487 -11.24136      28.84823 
1 1 1 -7  21 21 o 281.331 17.539 16.942  2.0792 18.519  2.6494  14.413  3.3547 293.422 21.470 256.166 31.593 37.25613       38.19756 
1 1 1 -7  21 22 o 267.426 17.517 15.333  1.9729 15.280  2.4517  15.429  3.3232 266.030 21.958 265.127 30.133 0.9035339      37.28468 
1 1 1 -7  21 23 o 340.410 22.328 25.015  3.2010 25.015  3.2010  0.0000  0.0000 340.410 22.328 ?       ?      0.000000       22.32838 
1 1 1 -7  21 24 o 229.953 22.961 11.508  2.2061 11.508  2.2061  0.0000  0.0000 229.953 22.961 ?       ?      0.000000       22.96134 
1 1 1 -7  21 25 o 136.526 31.142 4.2587  1.7607 0.0000  0.0000  4.2587  1.7607 ?       ?      136.526 31.142 0.000000       31.14220 
1 1 1 -7  21 26 o 128.761 32.696 3.8375  1.7861 0.0000  0.0000  3.8375  1.7861 ?       ?      128.761 32.696 0.000000       32.69561 
1 1 1 -7  21 27 o 135.584 22.823 4.1043  1.2639 2.4717  1.7240  6.0014  1.8584 105.344 33.968 162.848 27.954 -57.50399      43.99199 
1 1 1 -7  21 28 o 175.697 20.646 6.8017  1.5069 7.2465  1.9935  6.2086  2.3018 179.017 27.147 162.425 34.527 16.59236       43.92116 
1 1 1 -7  21 29 o 87.967  24.121 1.7650  0.9255 2.5808  1.1683  0.3907  1.5163 105.719 26.223 71.781  29.955 33.93844       39.81087 
1 1 1 -7  21 30 o 228.192 20.395 11.458  1.9502 13.701  2.7186  9.0814  2.7991 246.667 26.437 195.885 35.027 50.78107       43.88449 
1 1 1 -7  22 1  o 842.961 28.515 151.460 10.180 0.0000  0.0000  151.460 10.180 ?       ?      842.961 28.515 0.000000       28.51547 
1 1 1 -7  22 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -7  22 3  o 649.341 25.679 89.764  7.0614 89.764  7.0614  0.0000  0.0000 649.341 25.679 ?       ?      0.000000       25.67893 
1 1 1 -7  22 4  o 786.311 15.481 131.178 5.1551 142.614 8.4729  124.457 6.4957 818.662 24.439 765.391 20.040 53.27118       31.60488 
1 1 1 -7  22 5  o 764.720 15.008 124.061 4.8603 114.344 7.9521  129.855 6.1409 732.846 25.623 781.989 18.543 -49.14331      31.62873 
1 1 1 -7  22 6  o 968.730 15.638 199.121 6.4155 200.430 10.628  198.370 8.0468 970.174 25.868 966.323 19.663 3.851074       32.49342 
1 1 1 -7  22 7  o 576.599 13.810 70.513  3.3721 65.960  5.4404  73.354  4.2971 556.858 23.070 587.828 17.262 -30.97046      28.81288 
1 1 1 -7  22 8  o 1216.85 16.683 314.302 8.5970 314.843 14.400  314.003 10.716 1215.20 27.981 1215.44 20.820 -0.2351074     34.87704 
1 1 1 -7  22 9  o 564.585 13.190 67.602  3.1537 65.740  5.2949  68.626  3.9260 555.915 22.491 568.607 16.304 -12.69202      27.77874 
1 1 1 -7  22 10 o 253.332 15.477 13.671  1.6525 13.307  2.6896  13.891  2.0944 248.577 25.931 254.926 19.549 -6.349640      32.47456 
1 1 1 -7  22 11 o 348.280 11.883 25.721  1.7526 28.323  2.6207  23.616  2.3573 365.205 16.945 333.074 16.766 32.13135       23.83733 
1 1 1 -7  22 12 o 295.274 15.388 18.558  1.9176 18.363  2.3927  18.908  3.2063 293.266 19.375 296.681 25.775 -3.415375      32.24495 
1 1 1 -7  22 13 o 458.540 13.709 44.617  2.6622 42.523  3.2959  48.547  4.5156 447.361 17.397 477.463 22.332 -30.10190      28.30846 
1 1 1 -7  22 14 o 754.470 13.954 120.817 4.4586 122.417 5.5203  117.815 7.5614 758.987 17.175 743.313 24.021 15.67456       29.52901 
1 1 1 -7  22 15 o 883.369 12.569 165.571 4.7021 161.382 6.7043  169.626 6.5964 871.155 18.173 893.280 17.437 -22.12500      25.18524 
1 1 1 -7  22 16 o 590.743 13.800 74.085  3.4525 69.340  4.3045  82.643  5.7807 571.023 17.800 622.712 21.920 -51.68964      28.23741 
1 1 1 -7  22 17 o 271.272 13.394 15.621  1.5388 14.975  2.2144  16.225  2.1397 264.462 19.919 275.542 18.443 -11.07935      27.14609 
1 1 1 -7  22 18 o 597.755 14.868 75.913  3.7638 82.889  7.4674  73.537  4.3578 621.879 28.354 587.947 17.502 33.93201       33.32092 
1 1 1 -7  22 19 o 291.532 16.215 18.135  1.9940 18.854  2.4595  16.755  3.4061 296.749 19.682 277.721 29.408 19.02780       35.38652 
1 1 1 -7  22 20 o 261.785 17.671 14.672  1.9476 13.602  2.3804  16.838  3.3875 251.116 22.627 278.059 29.204 -26.94328      36.94356 
1 1 1 -7  22 21 o 771.815 23.593 127.894 7.7115 127.894 7.7115  0.0000  0.0000 771.815 23.593 ?       ?      0.000000       23.59296 
1 1 1 -7  22 22 o 492.240 21.889 52.019  4.5630 52.019  4.5630  0.0000  0.0000 492.240 21.889 ?       ?      0.000000       21.88923 
1 1 1 -7  22 23 o 88.497  31.226 1.5202  1.4573 0.0000  0.0000  1.5202  1.4573 ?       ?      88.497  31.226 0.000000       31.22563 
1 1 1 -7  22 24 o 332.155 20.455 23.811  2.8633 0.0000  0.0000  23.811  2.8633 ?       ?      332.155 20.455 0.000000       20.45532 
1 1 1 -7  22 25 o 451.769 20.126 44.016  3.8504 0.0000  0.0000  44.016  3.8504 ?       ?      451.769 20.126 0.000000       20.12556 
1 1 1 -7  22 26 o 438.938 15.157 41.295  2.8174 45.282  4.2667  38.213  3.7516 456.561 22.067 419.328 21.195 37.23282       30.59715 
1 1 1 -7  22 27 o 143.731 21.651 4.5852  1.2770 5.9094  1.7971  3.2346  1.8149 161.664 27.217 118.059 34.276 43.60462       43.76773 
1 1 1 -7  22 28 o 431.936 16.383 40.244  2.9967 41.280  4.4280  39.369  4.0706 432.130 24.295 423.039 22.806 9.091461       33.32171 
1 1 1 -7  22 29 o 91.689  28.094 1.9084  1.1939 1.4242  1.5676  2.5772  1.8422 86.434  32.112 106.314 35.165 -19.88022      47.62056 
1 1 1 -7  23 1  o 581.724 26.745 72.093  6.5889 0.0000  0.0000  72.093  6.5889 ?       ?      581.724 26.745 0.000000       26.74545 
1 1 1 -7  23 2  o 576.367 26.793 70.772  6.5398 0.0000  0.0000  70.772  6.5398 ?       ?      576.367 26.793 0.000000       26.79296 
1 1 1 -7  23 3  o 147.076 22.931 4.7091  1.3817 4.6884  2.2429  4.7218  1.7539 145.179 36.515 146.234 29.342 -1.054962      46.84391 
1 1 1 -7  23 4  o 164.933 26.772 5.9417  1.8058 7.7769  2.2274  2.4224  3.0845 188.871 28.756 120.859 45.016 68.01138       53.41704 
1 1 1 -7  23 5  o 406.146 17.889 35.026  3.0768 31.966  4.1121  38.918  4.6377 386.657 25.251 426.714 25.785 -40.05728      36.09013 
1 1 1 -7  23 6  o 354.335 18.063 26.731  2.7015 30.893  3.5594  21.075  4.1492 380.497 22.185 312.515 31.794 67.98221       38.76897 
1 1 1 -7  23 7  o 798.870 14.601 135.396 4.9399 129.611 8.0734  138.857 6.2454 780.262 24.433 808.581 18.239 -28.31860      30.48953 
1 1 1 -7  23 8  o 695.047 13.896 102.477 4.0904 102.413 6.7686  102.513 5.1339 693.739 23.039 694.811 17.448 -1.071472      28.89973 
1 1 1 -7  23 9  o 355.510 14.058 26.813  2.1165 27.785  3.6304  26.313  2.6051 360.464 23.918 351.994 17.476 8.469391       29.62218 
1 1 1 -7  23 10 o 286.082 15.165 17.419  1.8307 16.550  2.9984  17.936  2.3117 277.456 25.814 289.899 18.933 -12.44308      32.01309 
1 1 1 -7  23 11 o 681.631 13.389 98.571  3.8650 103.724 6.6897  95.989  4.7353 697.975 22.632 672.294 16.632 25.68134       28.08631 
1 1 1 -7  23 12 o 184.689 18.132 7.3188  1.3999 4.7823  2.5198  8.4512  1.6836 146.531 39.645 198.287 20.338 -51.75613      44.55688 
1 1 1 -7  23 13 o 344.870 12.186 25.229  1.7797 23.248  2.6544  26.848  2.3987 330.072 19.070 355.533 15.931 -25.46127      24.84941 
1 1 1 -7  23 14 o 215.177 18.741 9.9220  1.6908 11.881  2.1175  6.4768  2.8085 235.209 21.495 169.866 39.746 65.34349       45.18639 
1 1 1 -7  23 15 o 327.495 15.325 22.783  2.1255 23.656  2.7227  21.420  3.4009 332.838 19.401 315.635 25.665 17.20306       32.17250 
1 1 1 -7  23 16 o 193.242 21.437 8.0538  1.7247 7.2761  2.2154  9.2503  2.7480 181.967 29.779 205.044 32.748 -23.07722      44.26314 
1 1 1 -7  23 17 o 165.421 24.161 5.9640  1.6427 6.0007  2.1566  5.9134  2.5351 164.363 32.135 162.274 37.622 2.088486       49.47850 
1 1 1 -7  23 18 o 218.177 20.382 10.235  1.8614 9.6053  2.5337  10.973  2.7437 209.559 29.356 224.172 29.627 -14.61298      41.70777 
1 1 1 -7  23 19 o 501.016 18.237 53.495  3.8694 53.495  3.8694  0.0000  0.0000 501.016 18.237 ?       ?      0.000000       18.23673 
1 1 1 -7  23 20 o 233.629 17.301 11.700  1.6996 10.592  2.2112  13.300  2.6568 220.932 24.021 247.462 25.728 -26.52968      35.19870 
1 1 1 -7  23 21 o 274.152 28.223 16.418  3.2299 0.0000  0.0000  16.418  3.2299 ?       ?      274.152 28.223 0.000000       28.22329 
1 1 1 -7  23 22 o 138.525 26.967 4.2887  1.5251 0.0000  0.0000  4.2887  1.5251 ?       ?      138.525 26.967 0.000000       26.96666 
1 1 1 -7  23 23 o 146.346 23.741 4.7342  1.4210 0.0000  0.0000  4.7342  1.4210 ?       ?      146.346 23.741 0.000000       23.74127 
1 1 1 -7  23 24 o 144.216 20.969 4.5702  1.2432 2.6748  1.6969  6.7660  1.8264 109.467 33.486 174.814 25.415 -65.34730      42.03812 
1 1 1 -7  23 25 o 424.594 14.683 38.582  2.6402 40.566  3.9012  36.906  3.5862 432.857 21.282 413.199 20.494 19.65775       29.54561 
1 1 1 -7  23 26 o 91.467  25.665 1.8894  1.0347 0.6848  1.3334  3.7124  1.6403 72.787  28.927 126.710 30.855 -53.92239      42.29426 
1 1 1 -7  23 27 o 209.409 18.035 9.5397  1.5838 10.241  2.2380  8.8361  2.2415 214.444 25.120 198.053 27.465 16.39076       37.21965 
1 1 1 -7  23 28 o 202.169 18.953 8.9558  1.6037 7.4457  2.3126  10.355  2.2259 178.870 31.689 215.019 24.906 -36.14879      40.30554 
1 1 1 -7  23 29 o 361.746 16.917 28.334  2.5916 28.976  3.6734  27.698  3.6568 361.011 24.167 352.595 24.645 8.415344       34.51672 
1 1 1 -7  24 1  o 550.212 18.876 64.310  4.3982 70.104  6.1749  58.343  6.2662 573.714 25.415 522.239 28.440 51.47479       38.14140 
1 1 1 -7  24 2  o 343.504 20.507 25.169  2.9695 0.0000  0.0000  25.169  2.9695 ?       ?      343.504 20.507 0.000000       20.50662 
1 1 1 -7  24 3  o 257.026 22.256 14.155  2.3986 0.0000  0.0000  14.155  2.3986 ?       ?      257.026 22.256 0.000000       22.25577 
1 1 1 -7  24 4  o 241.957 22.158 12.555  2.2452 0.0000  0.0000  12.555  2.2452 ?       ?      241.957 22.158 0.000000       22.15755 
1 1 1 -7  24 5  o 210.889 17.297 9.5062  1.5312 10.069  2.4262  9.1338  1.9740 215.661 27.168 205.921 23.030 9.739578       35.61626 
1 1 1 -7  24 6  o 547.562 17.036 63.660  3.9504 64.116  5.3169  63.097  5.9023 548.922 22.872 544.204 25.610 4.717651       34.33673 
1 1 1 -7  24 7  o 434.061 16.720 40.002  3.0735 37.140  4.0354  43.956  4.7432 417.130 22.932 453.612 24.785 -36.48203      33.76629 
1 1 1 -7  24 8  o 560.504 16.683 66.708  3.9599 63.801  5.4683  69.914  5.7422 547.395 23.589 573.011 23.663 -25.61554      33.41215 
1 1 1 -7  24 9  o 415.154 16.662 36.600  2.9295 33.983  4.0669  39.422  4.2233 398.681 24.202 429.651 23.298 -30.97083      33.59375 
1 1 1 -7  24 10 o 426.091 12.390 38.508  2.2356 36.495  3.2135  40.396  3.1123 414.392 18.311 436.103 16.852 -21.71091      24.88556 
1 1 1 -7  24 11 o 499.939 11.913 53.010  2.5221 55.676  3.7625  50.835  3.3988 511.884 17.357 489.215 16.405 22.66864       23.88277 
1 1 1 -7  24 12 o 458.622 11.926 44.615  2.3163 42.423  3.4636  46.388  3.1155 446.688 18.309 467.349 15.742 -20.66125      24.14613 
1 1 1 -7  24 13 o 601.184 13.211 76.701  3.3636 75.200  5.8991  77.425  4.0943 593.838 23.457 603.694 16.015 -9.855408      28.40271 
1 1 1 -7  24 14 o 420.249 13.627 37.490  2.4252 39.398  4.3960  36.656  2.9078 428.964 24.299 415.299 16.533 13.66467       29.39008 
1 1 1 -7  24 15 o 315.240 18.575 21.217  2.4689 18.294  3.7913  23.369  3.2531 290.319 31.334 330.129 23.421 -39.80963      39.11953 
1 1 1 -7  24 16 o 249.905 38.963 13.815  3.9891 13.815  3.9891  0.0000  0.0000 249.905 38.963 ?       ?      0.000000       38.96347 
1 1 1 -7  24 17 o 616.380 18.602 80.887  4.8556 75.343  7.2217  85.462  6.5597 592.639 28.774 632.308 24.497 -39.66913      37.78982 
1 1 1 -7  24 18 o 430.735 19.811 39.566  3.6138 38.809  5.8043  40.046  4.6180 422.837 32.667 431.640 25.375 -8.802948      41.36477 
1 1 1 -7  24 19 o 753.816 15.596 120.955 4.9789 126.182 9.9203  119.196 5.7564 764.224 30.652 747.610 18.181 16.61395       35.63873 
1 1 1 -7  24 20 o 133.039 28.921 3.9696  1.5829 0.0000  0.0000  3.9696  1.5829 ?       ?      133.039 28.921 0.000000       28.92109 
1 1 1 -7  24 21 o 423.159 18.415 38.293  3.3000 0.0000  0.0000  38.293  3.3000 ?       ?      423.159 18.415 0.000000       18.41455 
1 1 1 -7  24 22 o 478.182 17.347 48.897  3.5128 51.568  4.5552  44.978  5.5177 489.619 21.969 453.863 28.857 35.75644       36.26777 
1 1 1 -7  24 23 o 355.222 14.747 26.934  2.2184 33.674  3.3822  21.844  2.9389 395.296 20.272 317.641 21.983 77.65433       29.90283 
1 1 1 -7  24 24 o 93.255  27.240 1.9420  1.1431 2.0822  1.7274  1.8328  1.5247 99.735  34.061 93.890  32.002 5.844879       46.73637 
1 1 1 -7  24 25 o 170.932 18.727 6.3730  1.3334 4.7884  1.7898  8.3495  1.9989 144.477 30.223 193.966 24.910 -49.48880      39.16592 
1 1 1 -7  24 26 o 122.085 21.940 3.3347  1.0926 4.9975  1.4565  1.1942  1.6525 149.526 23.798 85.071  32.664 64.45508       40.41360 
1 1 1 -7  24 27 o 211.161 17.118 9.6881  1.5176 10.270  2.1420  9.1012  2.1505 214.930 23.940 201.411 25.806 13.51830       35.20068 
1 1 1 -7  24 28 o 154.960 22.350 5.3758  1.4243 6.7266  2.0342  4.0768  1.9949 170.742 29.181 130.279 35.286 40.46286       45.78917 
1 1 1 -7  24 29 o 117.867 26.608 3.2188  1.2967 1.5264  1.8003  5.0431  1.8692 90.435  34.243 146.400 31.108 -55.96461      46.26314 
1 1 1 -7  25 1  o 171.219 27.203 6.4034  1.9065 9.9094  2.9199  3.7980  2.5171 212.669 33.531 132.786 40.811 79.88246       52.81937 
1 1 1 -7  25 2  o 303.447 27.917 19.807  3.5472 0.0000  0.0000  19.807  3.5472 ?       ?      303.447 27.917 0.000000       27.91657 
1 1 1 -7  25 3  o 698.479 15.285 103.539 4.5211 98.778  7.3594  106.425 5.7299 680.853 25.524 707.696 19.119 -26.84296      31.89032 
1 1 1 -7  25 4  o 666.135 18.832 94.285  5.3125 0.0000  0.0000  94.285  5.3125 ?       ?      666.135 18.832 0.000000       18.83193 
1 1 1 -7  25 5  o 322.063 19.775 22.131  2.6840 0.0000  0.0000  22.131  2.6840 ?       ?      322.063 19.775 0.000000       19.77453 
1 1 1 -7  25 6  o 237.837 22.265 12.142  2.2165 0.0000  0.0000  12.142  2.2165 ?       ?      237.837 22.265 0.000000       22.26485 
1 1 1 -7  25 7  o 228.999 21.700 11.257  2.0794 0.0000  0.0000  11.257  2.0794 ?       ?      228.999 21.700 0.000000       21.70048 
1 1 1 -7  25 8  o 164.257 20.326 5.8248  1.3837 5.3496  2.3428  6.0794  1.7147 154.803 36.356 167.075 25.003 -12.27211      44.12403 
1 1 1 -7  25 9  f 643.875 16.407 88.050  4.4739 85.169  6.2929  90.995  6.3617 632.247 23.503 653.604 22.984 -21.35638      32.87302 
1 1 1 -7  25 10 o 412.420 14.262 36.102  2.4909 35.959  3.1720  36.333  4.0230 411.288 18.211 412.295 23.134 -1.006287      29.44237 
1 1 1 -7  25 11 o 472.767 14.027 47.442  2.8084 53.280  3.6548  39.026  4.3883 500.700 17.236 427.060 24.365 73.63998       29.84560 
1 1 1 -7  25 12 o 781.614 14.340 129.705 4.7466 128.156 6.0092  132.276 7.7403 776.285 18.279 787.624 23.206 -11.33929      29.54016 
1 1 1 -7  25 13 o 563.518 13.573 67.409  3.2392 63.327  4.1175  74.037  5.2469 545.697 17.817 589.542 21.016 -43.84460      27.55211 
1 1 1 -7  25 14 o 644.481 13.670 88.182  3.7309 86.582  4.6830  90.962  6.1728 638.097 17.330 653.131 22.317 -15.03455      28.25557 
1 1 1 -7  25 15 o 455.931 14.304 44.148  2.7618 42.071  3.5089  47.529  4.4773 444.614 18.635 472.051 22.397 -27.43674      29.13584 
1 1 1 -7  25 16 o 255.606 22.766 14.053  2.4386 11.200  4.1034  15.611  3.0321 222.789 45.040 268.698 27.012 -45.90904      52.51915 
1 1 1 -7  25 17 o 284.384 15.737 17.250  1.8879 16.868  3.3900  17.422  2.2730 278.750 29.148 285.341 18.917 -6.591370      34.74854 
1 1 1 -7  25 18 o 162.352 20.814 5.7200  1.3981 4.3748  2.6373  6.2458  1.6489 140.080 41.504 169.204 23.658 -29.12361      47.77320 
1 1 1 -7  25 19 o 675.596 14.224 97.117  4.0696 94.540  6.6633  98.649  5.1395 663.728 23.706 679.963 17.848 -16.23505      29.67338 
1 1 1 -7  25 20 o 233.524 15.274 11.671  1.5022 10.339  2.1950  12.844  2.0603 217.930 24.192 244.118 20.108 -26.18877      31.45771 
1 1 1 -7  25 21 o 128.502 23.927 3.6686  1.2542 3.0150  2.1185  4.0212  1.5562 117.514 37.630 133.718 28.360 -16.20413      47.12010 
1 1 1 -7  25 22 o 649.632 14.482 90.018  3.9841 100.749 6.3151  82.923  5.1350 684.114 21.798 621.663 19.505 62.45129       29.25004 
1 1 1 -7  25 23 o 244.566 16.038 12.850  1.6519 14.814  2.5044  11.337  2.1978 260.811 22.906 227.854 23.096 32.95723       32.52862 
1 1 1 -7  25 24 o 213.005 17.413 9.8127  1.5570 10.753  2.4051  9.1345  2.0429 220.218 26.310 203.481 24.181 16.73698       35.73389 
1 1 1 -7  25 25 o 173.157 18.474 6.5390  1.3338 6.0250  1.8201  7.1352  1.9602 163.384 27.267 178.283 26.791 -14.89821      38.22597 
1 1 1 -7  25 26 o 155.037 19.692 5.2880  1.2637 4.7469  1.6433  6.0710  1.9769 144.134 27.931 162.756 29.780 -18.62183      40.82830 
1 1 1 -7  25 27 o 123.838 22.886 3.4668  1.1560 3.3409  1.5366  3.6308  1.7547 119.425 30.327 123.893 32.893 -4.467278      44.74031 
1 1 1 -7  25 28 f 316.934 16.332 21.780  2.1846 22.034  3.1642  21.548  3.0198 314.621 23.928 311.668 23.042 2.953888       33.21871 
1 1 1 -7  26 1  f 93.025  30.705 1.7649  1.4048 6.1365  2.4256  -0.4415 1.7232 166.043 35.566 69.354  30.462 96.68903       46.82805 
1 1 1 -7  26 2  o 279.023 22.762 16.683  2.6662 0.0000  0.0000  16.683  2.6662 ?       ?      279.023 22.762 0.000000       22.76156 
1 1 1 -7  26 3  o 154.659 35.701 5.3342  2.2909 5.3342  2.2909  0.0000  0.0000 154.659 35.701 ?       ?      0.000000       35.70070 
1 1 1 -7  26 4  o 164.101 21.124 5.8224  1.4339 8.1145  2.2695  4.2993  1.8500 192.880 28.655 139.007 32.078 53.87364       43.01292 
1 1 1 -7  26 5  o 464.795 14.362 45.846  2.8269 44.651  4.4516  46.653  3.6594 457.328 23.059 468.534 18.443 -11.20624      29.52744 
1 1 1 -7  26 6  f 92.967  27.733 1.8667  1.1746 1.0754  1.7632  2.4980  1.5749 87.350  33.687 107.419 32.129 -20.06899      46.55180 
1 1 1 -7  26 7  o 481.936 18.020 49.361  3.6778 0.0000  0.0000  49.361  3.6778 ?       ?      481.936 18.020 0.000000       18.01987 
1 1 1 -7  26 8  o 580.684 17.357 71.651  4.2682 0.0000  0.0000  71.651  4.2682 ?       ?      580.684 17.357 0.000000       17.35656 
1 1 1 -7  26 9  o 506.361 15.320 54.447  3.2853 47.402  6.4194  56.947  3.8240 469.052 32.517 517.636 17.444 -48.58426      36.90094 
1 1 1 -7  26 10 o 226.166 24.432 11.037  2.3029 11.929  3.7157  10.481  2.9345 232.092 39.200 218.701 32.686 13.39133       51.03954 
1 1 1 -7  26 11 o 546.557 14.214 63.422  3.2900 71.348  6.7051  60.909  3.7758 577.616 27.411 535.353 16.654 42.26331       32.07359 
1 1 1 -7  26 12 o 218.958 18.705 10.274  1.7178 13.125  3.7004  9.4908  1.9395 244.092 36.954 209.859 22.158 34.23358       43.08797 
1 1 1 -7  26 13 o 216.932 17.512 10.073  1.5950 7.3087  3.2030  10.984  1.8393 179.971 42.673 226.336 19.376 -46.36481      46.86599 
1 1 1 -7  26 14 o 485.415 13.717 50.031  2.8199 45.613  5.2085  51.863  3.3539 460.949 26.797 493.973 16.033 -33.02411      31.22732 
1 1 1 -7  26 15 o 534.224 13.903 60.611  3.1455 64.322  5.7688  59.042  3.7524 548.547 24.833 526.898 16.816 21.64935       29.99126 
1 1 1 -7  26 16 o 482.100 16.634 49.444  3.3961 0.0000  0.0000  49.444  3.3961 ?       ?      482.100 16.634 0.000000       16.63420 
1 1 1 -7  26 17 o 225.896 17.811 10.938  1.6901 12.195  3.1430  10.427  2.0046 235.541 32.364 219.838 21.820 15.70284       39.03270 
1 1 1 -7  26 18 o 464.888 12.971 45.938  2.5537 48.044  3.8334  44.258  3.4242 474.369 19.082 455.548 17.749 18.82059       26.06074 
1 1 1 -7  26 19 o 563.445 15.380 67.645  3.6698 68.736  7.5416  67.306  4.2006 561.412 31.852 561.473 17.666 -0.6048584E-01 36.42273 
1 1 1 -7  26 20 o 101.209 24.943 2.2959  1.0622 2.0419  1.6589  2.4725  1.3828 99.267  33.382 105.212 29.724 -5.944885      44.69709 
1 1 1 -7  26 21 o 464.624 14.249 46.024  2.8038 43.558  4.4700  47.624  3.6000 448.757 23.604 471.666 18.023 -22.90918      29.69798 
1 1 1 -7  26 22 o 222.372 16.756 10.639  1.5663 11.263  2.4719  10.221  2.0247 226.304 26.282 216.578 22.399 9.726151       34.53199 
1 1 1 -7  26 23 o 141.333 23.022 4.4331  1.3305 4.1638  2.1329  4.6047  1.7022 133.998 36.567 142.386 29.210 -8.388245      46.80141 
1 1 1 -7  26 24 o 226.685 16.959 11.107  1.6163 12.725  2.5000  9.9459  2.1185 239.999 24.963 212.252 23.990 27.74695       34.62177 
1 1 1 -7  26 25 o 171.623 20.084 6.4647  1.4321 7.0952  2.1299  5.9444  1.9347 176.559 29.528 161.334 29.401 15.22516       41.66899 
1 1 1 -7  26 26 f 125.320 23.059 3.5413  1.1787 3.6276  1.5733  3.4310  1.7795 124.812 30.111 120.820 33.573 3.991951       45.09825 
1 1 1 -7  26 27 o 195.900 17.967 8.3952  1.4740 7.7848  2.0300  9.0759  2.1436 185.093 26.668 200.473 25.851 -15.38037      37.14104 
1 1 1 -7  26 28 o 193.198 19.255 8.2180  1.5544 9.9888  2.1165  6.1448  2.2902 211.011 24.118 160.001 34.791 51.01065       42.33334 
1 1 1 -7  27 1  o 543.151 15.788 62.647  3.6316 61.408  5.8269  63.433  4.6439 536.501 25.646 546.067 20.081 -9.565857      32.57284 
1 1 1 -7  27 2  o 559.507 19.096 66.563  4.5247 77.506  5.9256  51.259  7.0072 603.157 23.198 487.632 34.147 115.5251       41.28216 
1 1 1 -7  27 3  o 344.901 19.425 25.376  2.8258 26.523  3.6839  23.738  4.4043 351.813 24.887 331.450 31.767 20.36273       40.35422 
1 1 1 -7  27 4  o 361.922 17.812 27.837  2.7300 28.610  3.6726  26.883  4.0812 365.619 23.850 353.746 27.458 11.87311       36.36974 
1 1 1 -7  27 5  o 580.175 14.547 71.450  3.5741 66.074  5.6562  75.024  4.6114 556.741 23.990 594.077 18.329 -37.33569      30.19061 
1 1 1 -7  27 6  o 585.526 14.258 72.771  3.5356 68.433  5.6145  75.622  4.5514 566.647 23.397 596.454 18.019 -29.80731      29.53105 
1 1 1 -7  27 7  o 339.466 14.885 24.467  2.1399 23.161  3.3716  25.348  2.7691 328.646 24.399 344.710 19.043 -16.06421      30.95085 
1 1 1 -7  27 8  o 401.783 14.353 34.271  2.4422 34.248  4.0830  34.284  3.0475 399.977 24.219 401.568 17.920 -1.591187      30.12786 
1 1 1 -7  27 9  o 648.322 12.541 89.184  3.4433 80.495  4.9364  97.416  4.8052 615.126 18.950 677.042 16.759 -61.91522      25.29765 
1 1 1 -7  27 10 o 240.754 19.245 12.412  1.9458 11.278  2.4318  14.430  3.2439 228.393 25.582 257.760 30.295 -29.36754      39.65122 
1 1 1 -7  27 11 o 139.227 22.163 4.2332  1.2630 3.7296  2.1724  4.4902  1.5523 129.958 37.435 142.664 26.673 -12.70580      45.96532 
1 1 1 -7  27 12 f 546.325 12.225 63.336  2.8285 58.387  4.1877  67.488  3.8357 523.765 18.880 563.505 16.073 -39.73926      24.79505 
1 1 1 -7  27 13 o 348.191 13.091 25.737  1.9304 27.773  2.9613  24.232  2.5455 360.636 19.462 337.019 17.900 23.61661       26.44147 
1 1 1 -7  27 14 o 247.162 14.829 13.026  1.5450 10.662  2.3342  14.868  2.0611 221.906 25.290 263.639 18.580 -41.73395      31.38110 
1 1 1 -7  27 15 o 280.990 14.604 16.823  1.7318 17.752  2.6892  16.164  2.2637 287.517 22.260 274.734 19.584 12.78305       29.64858 
1 1 1 -7  27 16 o 223.689 19.001 10.742  1.7830 15.325  4.2062  9.7387  1.9686 262.688 38.993 212.346 22.220 50.34192       44.87955 
1 1 1 -7  27 17 o 451.986 12.794 43.413  2.4489 42.307  3.6886  44.285  3.2747 445.128 19.567 455.882 16.962 -10.75433      25.89571 
1 1 1 -7  27 18 o 255.349 15.780 13.946  1.6981 15.517  2.6953  12.912  2.1866 267.710 24.029 244.630 21.320 23.07977       32.12392 
1 1 1 -7  27 19 o 350.681 13.749 26.183  2.0418 26.879  2.9629  25.555  2.8176 353.714 19.860 344.991 19.364 8.723206       27.73777 
1 1 1 -7  27 20 o 288.110 14.718 17.746  1.7898 21.007  2.6017  14.817  2.4661 312.379 19.769 261.451 22.492 50.92804       29.94475 
1 1 1 -7  27 21 o 224.692 15.899 10.840  1.5031 11.248  2.2857  10.530  1.9951 226.897 24.159 220.127 21.683 6.769730       32.46245 
1 1 1 -7  27 22 o 194.812 18.645 8.2226  1.5194 5.5561  2.4394  9.9129  1.9422 154.615 37.615 213.234 21.814 -58.61954      43.48258 
1 1 1 -7  27 23 o 225.338 20.258 11.055  1.9125 11.334  2.5723  10.709  2.8600 225.671 27.483 217.434 32.019 8.237259       42.19583 
1 1 1 -7  27 24 o 355.690 15.166 27.143  2.2844 32.140  3.5598  23.644  2.9786 383.723 21.998 329.181 21.484 54.54117       30.74862 
1 1 1 -7  27 25 o 427.203 14.875 39.177  2.6912 46.467  4.1600  33.929  3.5292 461.993 21.262 394.282 21.214 67.71173       30.03544 
1 1 1 -7  27 26 o 297.847 16.117 19.195  2.0254 16.515  2.8848  21.799  2.8442 271.936 25.342 314.935 21.453 -42.99826      33.20339 
1 1 1 -7  27 27 o 153.992 21.009 5.2872  1.3343 5.0639  1.7865  5.5690  2.0066 147.202 29.683 153.537 31.903 -6.334457      43.57581 
1 1 1 -7  27 28 o 97.427  27.488 2.2015  1.1834 2.6301  1.4109  1.1841  2.1735 105.877 30.063 90.575  36.609 15.30182       47.37070 
1 1 1 -7  28 1  o 455.315 16.001 44.037  3.0854 47.535  5.0125  41.903  3.9149 471.293 25.206 443.658 20.837 27.63507       32.70314 
1 1 1 -7  28 2  o 544.737 15.329 63.015  3.5362 59.054  5.6420  65.579  4.5382 526.020 25.327 555.235 19.300 -29.21503      31.84273 
1 1 1 -7  28 3  o 849.649 18.920 153.536 6.8077 146.400 9.1690  162.302 10.162 828.011 26.148 871.421 27.538 -43.40961      37.97427 
1 1 1 -7  28 4  o 817.759 15.452 142.021 5.3513 150.314 8.6766  136.930 6.7984 839.437 24.407 802.162 20.012 37.27441       31.56266 
1 1 1 -7  28 5  o 452.655 17.195 43.548  3.2961 39.620  4.3728  48.715  5.0159 430.332 24.091 477.150 24.909 -46.81808      34.65346 
1 1 1 -7  28 6  o 309.870 18.171 20.487  2.3741 21.839  3.1393  18.682  3.6283 319.189 23.387 293.960 29.546 25.22925       37.68192 
1 1 1 -7  28 7  o 308.386 15.017 20.197  1.9612 15.907  3.0294  23.292  2.5732 271.545 26.689 330.417 18.463 -58.87183      32.45268 
1 1 1 -7  28 8  o 444.595 14.208 41.969  2.6751 45.687  4.5333  39.982  3.3136 462.838 23.128 433.583 18.046 29.25504       29.33528 
1 1 1 -7  28 9  o 275.603 15.852 16.193  1.8423 15.102  2.6104  17.276  2.6006 265.023 23.502 283.878 21.799 -18.85541      32.05496 
1 1 1 -7  28 10 o 170.161 20.166 6.2516  1.4249 8.3275  2.3429  5.0331  1.7950 195.041 29.269 150.774 29.167 44.26703       41.32092 
1 1 1 -7  28 11 o 280.524 14.126 16.754  1.6728 16.860  2.6517  16.684  2.1560 280.249 22.533 279.418 18.321 0.8303223      29.04143 
1 1 1 -7  28 12 o 390.992 12.918 32.452  2.1390 26.805  3.2143  36.940  2.8656 353.920 21.548 416.849 16.233 -62.92944      26.97839 
1 1 1 -7  28 13 o 280.455 14.248 16.750  1.6866 16.266  2.6120  17.097  2.2089 275.159 22.615 282.792 18.547 -7.632874      29.24809 
1 1 1 -7  28 14 o 304.438 13.764 19.687  1.7746 20.699  2.7402  18.956  2.3290 310.830 20.939 297.783 18.560 13.04733       27.98070 
1 1 1 -7  28 15 f 502.284 12.520 53.577  2.6632 59.091  4.0158  49.248  3.5583 526.682 18.005 480.904 17.472 45.77875       25.08839 
1 1 1 -7  28 16 o 169.366 21.553 6.2299  1.5108 4.1982  4.0006  6.5678  1.6317 145.096 51.678 173.736 22.721 -28.64024      56.45208 
1 1 1 -7  28 17 o 196.140 18.034 8.2791  1.4812 6.2306  2.5477  9.3250  1.8204 165.634 37.227 207.704 20.984 -42.06993      42.73348 
1 1 1 -7  28 18 o 379.160 13.622 30.601  2.1872 30.715  3.3559  30.517  2.8839 377.933 21.051 377.900 18.020 0.3305054E-01  27.71067 
1 1 1 -7  28 19 o 325.171 14.114 22.532  1.9436 20.804  2.8574  24.019  2.6514 310.346 21.881 334.407 18.799 -24.06104      28.84731 
1 1 1 -7  28 20 o 493.058 13.199 51.793  2.7560 46.630  4.0220  56.362  3.7839 465.873 20.386 513.189 17.411 -47.31683      26.80924 
1 1 1 -7  28 21 o 364.182 13.779 28.292  2.1251 25.160  3.1206  31.001  2.9021 340.918 21.728 380.220 18.023 -39.30258      28.22997 
1 1 1 -7  28 22 o 344.211 15.098 25.352  2.2009 29.021  3.4769  22.899  2.8430 365.287 22.587 325.009 20.764 40.27820       30.68065 
1 1 1 -7  28 23 f 185.139 19.219 7.4795  1.4849 8.9182  2.3510  6.5246  1.9154 198.999 28.729 170.135 27.523 28.86362       39.78539 
1 1 1 -7  28 24 o 335.436 15.133 24.154  2.1497 24.870  3.3199  23.638  2.8209 336.438 23.448 329.457 20.318 6.981049       31.02581 
1 1 1 -7  28 25 f 110.355 25.717 2.7937  1.1796 4.2890  1.9097  1.8711  1.5000 134.786 33.579 93.290  31.741 41.49560       46.20665 
1 1 1 -7  28 26 o 213.366 18.535 9.9696  1.6581 10.010  2.4338  9.9349  2.2651 209.442 28.153 209.701 26.069 -0.2586212     38.36872 
1 1 1 -7  28 27 o 95.871  27.129 2.1288  1.1510 1.8086  1.3479  2.9905  2.2115 90.319  30.089 113.324 38.541 -23.00468      48.89528 
1 1 1 -7  29 1  o 569.972 15.923 69.021  3.8434 73.782  6.1278  65.933  4.9347 587.937 24.611 556.395 20.943 31.54169       32.31554 
1 1 1 -7  29 2  o 232.815 19.179 11.610  1.8741 9.5566  2.8775  13.123  2.4698 208.336 33.770 246.885 23.923 -38.54875      41.38489 
1 1 1 -7  29 3  o 374.509 19.160 29.921  3.0286 32.707  3.8653  25.489  4.8744 390.907 23.457 342.716 34.035 48.19113       41.33550 
1 1 1 -7  29 4  o 386.935 15.298 31.802  2.5068 30.052  3.9299  33.002  3.2549 374.363 24.931 393.785 19.518 -19.42114      31.66239 
1 1 1 -7  29 5  o 163.898 23.026 5.8385  1.5541 5.4175  2.3797  6.1517  2.0522 155.495 36.724 166.950 30.135 -11.45547      47.50501 
1 1 1 -7  29 6  o 585.271 17.218 72.828  4.2676 72.296  5.7088  73.501  6.4251 582.176 23.155 586.473 25.870 -4.296875      34.71885 
1 1 1 -7  29 7  o 220.894 19.900 10.472  1.8416 10.033  2.5275  10.969  2.6888 214.637 28.511 224.499 28.956 -9.861053      40.63710 
1 1 1 -7  29 8  o 273.439 17.564 15.967  2.0231 18.153  2.7408  13.350  2.9987 290.906 22.421 247.947 29.112 42.95988       36.74520 
1 1 1 -7  29 9  o 141.059 26.931 4.3966  1.5501 3.3028  2.2305  5.4183  2.1558 123.759 38.480 155.771 33.662 -32.01231      51.12611 
1 1 1 -7  29 10 o 391.358 13.370 32.518  2.2159 32.997  3.4156  32.170  2.9119 392.980 20.595 388.869 17.682 4.111420       27.14405 
1 1 1 -7  29 11 o 306.605 16.541 20.047  2.1398 18.493  4.6650  20.460  2.4081 289.750 39.009 309.498 18.457 -19.74829      43.15525 
1 1 1 -7  29 12 o 538.024 12.661 61.451  2.8849 58.808  4.3048  63.605  3.8868 525.432 19.346 546.848 16.783 -21.41602      25.61175 
1 1 1 -7  29 13 o 137.698 22.913 4.1562  1.2892 3.3893  2.0627  4.6478  1.6515 124.089 36.690 144.831 27.938 -20.74295      46.11558 
1 1 1 -7  29 14 o 219.504 16.436 10.310  1.5167 13.312  2.3493  8.1644  1.9861 248.570 22.563 193.736 24.775 54.83418       33.50979 
1 1 1 -7  29 15 o 285.530 17.939 17.448  2.1582 13.799  2.8121  22.677  3.3664 252.025 26.757 324.260 24.701 -72.23430      36.41545 
1 1 1 -7  29 16 o 231.477 16.620 11.479  1.6184 15.372  2.7514  9.4202  2.0012 266.385 24.669 208.357 23.067 58.02782       33.77344 
1 1 1 -7  29 17 o 368.192 13.728 28.855  2.1406 27.792  3.3621  29.580  2.7759 359.183 22.212 372.163 17.613 -12.98056      28.34745 
1 1 1 -7  29 18 o 345.878 14.160 25.490  2.0740 24.594  3.2419  26.111  2.6986 337.340 22.827 348.866 18.330 -11.52576      29.27544 
1 1 1 -7  29 19 o 153.850 21.322 5.1827  1.3519 4.8551  2.1483  5.3975  1.7395 145.548 35.231 155.521 27.413 -9.972809      44.63985 
1 1 1 -7  29 20 o 293.827 14.514 18.427  1.8060 15.296  2.6823  21.024  2.4426 264.819 24.185 312.538 18.538 -47.71927      30.47203 
1 1 1 -7  29 21 o 412.017 13.565 36.232  2.3670 37.646  3.4748  35.007  3.2330 418.183 19.621 403.490 18.921 14.69275       27.25749 
1 1 1 -7  29 22 o 202.203 20.421 8.9283  1.7247 5.2765  2.4402  12.573  2.4380 149.476 38.358 238.872 24.444 -89.39615      45.48454 
1 1 1 -7  29 23 o 288.764 15.883 17.972  1.9348 18.062  3.0542  17.912  2.5006 285.595 25.521 286.517 20.749 -0.9221191     32.89188 
1 1 1 -7  29 24 o 247.545 17.070 13.276  1.7786 14.773  2.7346  12.179  2.3415 257.787 25.378 234.496 23.913 23.29099       34.86933 
1 1 1 -7  29 25 o 108.774 26.550 2.7348  1.2123 2.6726  1.8102  2.7853  1.6325 107.859 34.809 109.291 32.716 -1.432121      47.77032 
1 1 1 -7  29 26 o 497.992 18.244 53.986  3.8475 56.432  4.9791  50.361  6.0618 504.828 23.289 468.631 30.714 36.19678       38.54534 
1 1 1 -7  29 27 o 206.661 21.969 9.5161  1.8932 8.1542  2.3064  12.329  3.3146 187.150 30.123 227.185 35.622 -40.03514      46.65117 
1 1 1 -7  30 1  f 597.104 15.834 75.761  4.0040 77.426  6.3980  74.689  5.1335 602.028 25.095 592.165 20.470 9.862915       32.38493 
1 1 1 -7  30 2  o 488.122 19.931 50.734  4.1201 0.0000  0.0000  50.734  4.1201 ?       ?      488.122 19.931 0.000000       19.93128 
1 1 1 -7  30 3  o 183.522 50.172 7.6262  4.0111 0.0000  0.0000  7.6262  4.0111 ?       ?      183.522 50.172 0.000000       50.17244 
1 1 1 -7  30 4  o 179.958 21.839 7.0033  1.6303 8.4945  2.4755  5.8614  2.1663 196.720 30.719 162.348 32.641 34.37151       44.82284 
1 1 1 -7  30 5  o 274.152 16.876 16.040  1.9498 18.146  3.0236  14.541  2.5511 290.416 24.823 259.994 23.421 30.42215       34.12796 
1 1 1 -7  30 6  f 682.679 14.557 98.990  4.2086 95.398  6.7366  101.290 5.3899 668.452 23.797 689.917 18.447 -21.46552      30.11001 
1 1 1 -7  30 7  o 487.601 14.194 50.494  2.9311 45.678  4.7508  53.453  3.7244 461.800 24.379 501.292 17.544 -39.49200      30.03519 
1 1 1 -7  30 8  o 203.781 20.479 8.9360  1.7434 10.189  2.3830  7.4929  2.5572 216.652 26.527 183.701 34.127 32.95172       43.22444 
1 1 1 -7  30 9  o 350.663 16.665 26.148  2.4748 22.993  3.0208  32.587  4.3156 327.608 21.900 389.371 26.327 -61.76218      34.24468 
1 1 1 -7  30 10 o 538.891 15.267 61.717  3.4841 61.345  4.3756  62.363  5.7595 536.684 19.252 540.003 25.185 -3.318970      31.70072 
1 1 1 -7  30 11 o 147.603 23.792 4.7705  1.4366 4.6363  2.3488  4.8507  1.8159 143.719 38.008 147.678 30.058 -3.958694      48.45713 
1 1 1 -7  30 12 o 720.057 14.797 110.203 4.5122 94.868  8.4190  116.383 5.3446 664.207 29.930 739.510 17.066 -75.30310      34.45391 
1 1 1 -7  30 13 o 216.221 16.886 10.012  1.5339 8.3127  2.4222  11.151  1.9820 194.228 30.449 227.623 20.790 -33.39447      36.87008 
1 1 1 -7  30 14 o 505.595 12.441 54.306  2.6637 55.882  3.9609  53.005  3.5992 511.906 18.271 498.785 17.039 13.12097       24.98307 
1 1 1 -7  30 15 o 121.089 33.082 3.2899  1.7446 3.7978  2.3606  2.6788  2.5896 130.683 39.391 117.123 41.592 13.55981       57.28519 
1 1 1 -7  30 16 o 438.487 12.847 40.897  2.3855 38.472  3.6899  42.638  3.1269 423.799 20.560 447.066 16.516 -23.26697      26.37162 
1 1 1 -7  30 17 o 209.651 17.330 9.4553  1.5248 8.1596  2.5904  10.142  1.8862 190.570 33.310 216.456 20.834 -25.88538      39.28875 
1 1 1 -7  30 18 o 136.027 24.463 4.1128  1.3574 8.8726  2.3312  1.6713  1.6696 200.175 28.288 93.359  33.371 106.8163       43.74707 
1 1 1 -7  30 19 o 170.995 23.492 6.4285  1.6562 7.5824  4.5514  6.2524  1.7781 177.883 54.912 167.962 25.825 9.920715       60.68121 
1 1 1 -7  30 20 o 230.393 15.550 11.403  1.5083 8.6491  2.3145  13.435  1.9886 196.962 28.582 249.345 18.975 -52.38362      34.30733 
1 1 1 -7  30 21 o 359.585 14.049 27.643  2.1394 29.345  3.1538  26.192  2.9119 368.052 20.313 347.838 19.850 20.21402       28.40123 
1 1 1 -7  30 22 o 385.372 18.028 32.033  2.9422 35.062  3.9418  28.224  4.4212 400.077 23.367 355.179 29.665 44.89774       37.76273 
1 1 1 -7  30 23 f 125.035 25.352 3.5553  1.2965 6.0570  2.1633  2.1532  1.6195 161.308 32.786 99.101  32.981 62.20771       46.50408 
1 1 1 -7  30 24 o 201.214 20.968 8.9204  1.7605 7.3212  2.4240  10.706  2.5611 176.789 33.605 217.266 28.525 -40.47694      44.07925 
1 1 1 -7  30 25 o 216.175 28.878 10.709  2.5776 10.709  2.5776  0.0000  0.0000 216.175 28.878 ?       ?      0.000000       28.87815 
1 1 1 -7  30 26 o 299.757 19.658 19.749  2.4816 26.617  3.1352  8.2280  4.0607 347.003 21.440 174.180 51.473 172.8231       55.75962 
1 1 1 -7  31 1  o 541.641 19.165 62.458  4.3960 64.979  5.7315  58.855  6.8512 551.515 24.539 522.604 31.097 28.91040       39.61316 
1 1 1 -7  31 2  o 419.543 15.745 37.407  2.7974 32.661  4.3142  40.850  3.6746 389.898 26.281 437.958 19.812 -48.05994      32.91248 
1 1 1 -7  31 3  o 836.675 29.334 150.126 10.394 0.0000  0.0000  150.126 10.394 ?       ?      836.675 29.334 0.000000       29.33373 
1 1 1 -7  31 4  o 755.547 15.212 121.295 4.8673 115.517 7.7801  125.010 6.2390 735.175 24.989 766.240 19.227 -31.06519      31.52979 
1 1 1 -7  31 5  o 387.068 15.023 31.832  2.4625 37.335  3.8470  28.012  3.2052 417.846 21.816 361.917 21.003 55.92963       30.28261 
1 1 1 -7  31 6  o 367.095 15.786 28.643  2.4541 27.822  3.8873  29.188  3.1644 359.780 25.682 369.563 20.297 -9.782806      32.73426 
1 1 1 -7  31 7  o 357.742 15.439 27.199  2.3390 25.837  3.7306  28.082  3.0024 346.633 25.595 362.568 19.627 -15.93475      32.25401 
1 1 1 -7  31 8  o 279.797 17.342 16.719  2.0448 17.170  3.5347  16.492  2.5068 281.200 30.153 277.247 21.519 3.952209       37.04407 
1 1 1 -7  31 9  f 394.755 13.400 33.093  2.2402 30.564  3.3512  35.136  3.0121 377.993 21.018 406.340 17.504 -28.34705      27.35254 
1 1 1 -7  31 10 o 402.521 16.697 34.470  2.8463 32.708  3.6131  37.353  4.6210 390.832 21.918 416.760 26.317 -25.92749      34.24887 
1 1 1 -7  31 11 o 569.668 15.190 69.001  3.6645 68.626  4.6460  69.618  5.9612 567.393 19.336 570.281 24.683 -2.888123      31.35481 
1 1 1 -7  31 12 o 650.934 14.885 90.108  4.1033 83.422  5.0987  102.398 6.9129 625.414 19.251 691.655 23.601 -66.24060      30.45644 
1 1 1 -7  31 13 o 475.737 15.290 48.167  3.0805 39.420  3.8472  63.795  5.1423 429.385 21.157 545.963 22.241 -116.5785      30.69646 
1 1 1 -7  31 14 o 149.027 22.990 4.8701  1.4043 8.1944  2.2558  2.7667  1.7944 192.874 28.473 112.413 34.442 80.46169       44.68742 
1 1 1 -7  31 15 o 194.326 26.361 8.2882  2.1134 8.4256  3.2241  8.1847  2.7985 191.785 40.942 190.385 36.029 1.400665       54.53725 
1 1 1 -7  31 16 o 210.428 17.106 9.5210  1.5112 12.846  2.4831  7.5649  1.9045 242.925 24.470 185.714 24.838 57.21083       34.86645 
1 1 1 -7  31 17 o 224.235 16.568 10.803  1.5622 11.204  2.5582  10.565  1.9728 225.663 27.326 220.676 21.378 4.987640       34.69442 
1 1 1 -7  31 18 o 183.991 19.289 7.3429  1.4806 9.4396  2.4344  6.1120  1.8652 206.244 28.645 165.549 27.575 40.69557       39.76059 
1 1 1 -7  31 19 o 181.135 19.466 7.1312  1.4698 4.0460  2.5545  8.6582  1.7971 133.124 41.145 199.222 21.649 -66.09802      46.49306 
1 1 1 -7  31 20 o 220.462 19.939 10.562  1.8414 15.836  5.2342  9.8166  1.9672 255.770 50.116 211.809 22.264 43.96089       54.83854 
1 1 1 -7  31 21 o 479.084 13.531 49.091  2.7452 43.321  4.0630  53.939  3.7238 446.661 21.479 500.463 17.570 -53.80188      27.75020 
1 1 1 -7  31 22 o 257.264 26.389 14.750  2.8344 14.750  2.8344  0.0000  0.0000 257.264 26.389 ?       ?      0.000000       26.38905 
1 1 1 -7  31 23 o 127.903 38.737 3.8878  2.2789 3.8878  2.2789  0.0000  0.0000 127.903 38.737 ?       ?      0.000000       38.73681 
1 1 1 -7  31 24 o 160.642 29.036 5.9625  1.9026 6.7823  2.4306  4.6652  3.0575 168.602 35.179 137.584 45.293 31.01816       57.35011 
1 1 1 -7  31 25 o 127.277 32.215 3.8747  1.7379 4.3180  2.1191  2.9639  3.0375 132.905 36.523 117.014 44.437 15.89101       57.51990 
1 1 1 -7  31 26 o 60.769  27.050 -0.3552 1.4031 0.0000  0.0000  -0.3552 1.4031 ?       ?      60.769  27.050 0.000000       27.05007 
1 1 1 -7  32 1  o 358.054 21.267 27.433  3.2103 25.188  3.9448  31.836  5.5242 341.815 27.483 382.746 34.450 -40.93076      44.06998 
1 1 1 -7  32 2  o 336.391 22.514 24.256  3.1887 26.277  3.9645  20.555  5.3665 349.273 27.013 304.521 42.794 44.75256       50.60639 
1 1 1 -7  32 3  o 270.439 42.019 16.257  4.6562 0.0000  0.0000  16.257  4.6562 ?       ?      270.439 42.019 0.000000       42.01898 
1 1 1 -7  32 4  o 429.762 15.147 39.250  2.7568 41.880  4.2709  37.372  3.6094 442.323 22.878 418.745 20.353 23.57797       30.62142 
1 1 1 -7  32 5  o 668.516 14.767 94.962  4.1806 92.228  6.5945  96.799  5.4057 657.023 23.700 674.197 18.933 -17.17383      30.33432 
1 1 1 -7  32 6  o 301.007 16.155 19.321  2.0518 21.420  3.2104  17.872  2.6676 315.655 24.200 288.574 21.994 27.08057       32.70173 
1 1 1 -7  32 7  f 141.172 27.002 4.4097  1.5555 4.2400  2.7934  4.4859  1.8727 139.268 43.023 141.624 31.980 -2.356262      53.60703 
1 1 1 -7  32 8  f 431.922 13.383 39.624  2.4479 34.264  3.5928  44.268  3.3444 400.164 21.277 456.063 17.316 -55.89862      27.43288 
1 1 1 -7  32 9  o 311.366 16.080 20.677  2.1131 17.649  3.6281  22.232  2.5994 284.794 30.559 322.420 19.123 -37.62634      36.04933 
1 1 1 -7  32 10 o 413.372 14.994 36.336  2.6249 40.543  4.7213  34.454  3.1579 434.109 25.798 402.074 18.546 32.03549       31.77218 
1 1 1 -7  32 11 o 357.864 15.335 27.248  2.3241 21.870  4.0750  29.841  2.8293 316.918 30.749 374.183 17.855 -57.26538      35.55743 
1 1 1 -7  32 12 o 276.137 15.387 16.282  1.7922 14.125  2.7541  17.866  2.3603 255.117 25.848 288.610 19.425 -33.49300      32.33353 
1 1 1 -7  32 13 f 223.496 20.775 10.780  1.9439 9.7894  2.4415  12.495  3.2126 211.223 27.983 237.692 32.788 -26.46832      43.10598 
1 1 1 -7  32 14 o 685.731 14.804 100.178 4.2992 103.632 5.3953  94.170  7.1156 696.336 18.296 660.940 25.422 35.39600       31.32096 
1 1 1 -7  32 15 o 216.107 25.822 10.226  2.3164 14.325  3.4962  7.0190  3.0927 253.839 33.329 174.014 42.365 79.82529       53.90319 
1 1 1 -7  32 16 o 98.915  34.167 1.9844  1.7398 1.0203  2.3809  3.0890  2.5484 94.905  38.331 120.985 41.372 -26.07923      56.39930 
1 1 1 -7  32 17 o 163.780 27.065 5.9748  1.8116 5.2824  2.4191  6.8589  2.7337 151.125 37.874 172.242 38.451 -21.11688      53.97130 
1 1 1 -7  32 18 o 146.636 29.320 4.8626  1.7571 4.6128  2.5085  5.1031  2.4620 141.036 40.099 148.118 38.790 -7.081467      55.79103 
1 1 1 -7  32 19 o 245.580 28.320 13.386  2.8913 13.386  2.8913  0.0000  0.0000 245.580 28.320 ?       ?      0.000000       28.32006 
1 1 1 -7  32 20 o 198.744 28.085 8.8601  2.2980 8.8601  2.2980  0.0000  0.0000 198.744 28.085 ?       ?      0.000000       28.08515 
1 1 1 -7  32 21 o 227.815 23.988 11.486  2.2796 11.486  2.2796  0.0000  0.0000 227.815 23.988 ?       ?      0.000000       23.98846 
1 1 1 -7  32 22 o 212.269 28.748 10.207  2.5178 10.207  2.5178  0.0000  0.0000 212.269 28.748 ?       ?      0.000000       28.74806 
1 1 1 -7  32 23 o 222.721 18.160 10.822  1.6980 16.299  2.8650  7.8558  2.1081 270.179 25.335 185.842 27.627 84.33714       37.48476 
1 1 1 -7  32 24 o 204.101 27.017 9.4941  2.2778 0.0000  0.0000  9.4941  2.2778 ?       ?      204.101 27.017 0.000000       27.01726 
1 1 1 -7  32 25 o 192.508 24.258 8.3762  1.9337 0.0000  0.0000  8.3762  1.9337 ?       ?      192.508 24.258 0.000000       24.25789 
1 1 1 -7  33 1  o 192.017 30.064 8.1088  2.3645 0.0000  0.0000  8.1088  2.3645 ?       ?      192.017 30.064 0.000000       30.06380 
1 1 1 -7  33 2  o 782.122 15.846 130.081 5.2485 130.464 8.3756  129.834 6.7349 780.692 25.333 780.292 20.381 0.4000854      32.51408 
1 1 1 -7  33 3  o 284.317 41.139 17.939  4.8093 0.0000  0.0000  17.939  4.8093 ?       ?      284.317 41.139 0.000000       41.13858 
1 1 1 -7  33 4  o 230.190 25.410 11.477  2.4358 10.798  2.8404  13.364  4.7353 221.949 31.070 242.692 47.774 -20.74265      56.98868 
1 1 1 -7  33 5  o 670.175 18.013 95.639  5.1123 93.396  6.7964  98.562  7.7585 660.755 24.288 677.964 27.023 -17.20874      36.33362 
1 1 1 -7  33 6  o 209.766 24.109 9.5331  2.1028 11.599  2.5746  5.3935  3.6442 231.090 26.805 156.576 49.268 74.51413       56.08788 
1 1 1 -7  33 7  f 385.603 17.406 31.659  2.8425 30.440  3.4748  34.124  4.9418 376.890 21.865 397.223 29.589 -20.33279      36.79114 
1 1 1 -7  33 8  o 409.628 13.988 35.663  2.4266 34.859  3.6271  36.314  3.2648 403.444 21.305 412.749 18.678 -9.305542      28.33299 
1 1 1 -7  33 9  o 374.998 14.268 29.899  2.2659 26.495  3.4148  32.578  3.0288 351.100 23.096 390.917 18.295 -39.81668      29.46388 
1 1 1 -7  33 10 o 256.308 16.793 14.055  1.8127 12.209  2.8402  15.324  2.3546 236.291 28.991 266.929 20.999 -30.63741      35.79779 
1 1 1 -7  33 11 o 331.203 15.614 23.362  2.1900 21.227  3.8890  24.353  2.6501 312.015 29.794 337.244 18.628 -25.22827      35.13822 
1 1 1 -7  33 12 o 249.797 18.262 13.397  1.9184 7.9513  3.4818  15.771  2.2989 185.472 44.826 270.744 20.195 -85.27199      49.16529 
1 1 1 -7  33 13 o 370.491 15.077 29.255  2.3655 29.145  4.5242  29.296  2.7750 365.362 29.491 370.298 17.696 -4.935699      34.39275 
1 1 1 -7  33 14 f 313.927 18.789 21.173  2.4864 0.0000  0.0000  21.173  2.4864 ?       ?      313.927 18.789 0.000000       18.78877 
1 1 1 -7  33 15 o 211.051 20.347 9.6506  1.7960 11.713  3.7036  9.0165  2.0536 226.143 40.142 202.919 24.386 23.22385       46.96898 
1 1 1 -7  33 16 f 118.655 32.190 3.1999  1.6586 1.4888  3.8313  3.5945  1.8399 116.913 48.093 125.476 33.847 -8.563408      58.80908 
1 1 1 -7  33 17 o 198.821 25.076 8.7058  2.0644 8.4121  3.9575  8.8156  2.4197 186.964 49.284 198.611 29.679 -11.64615      57.53036 
1 1 1 -7  33 18 o 565.157 20.173 68.859  4.8282 79.796  7.7387  61.887  6.1782 600.863 30.513 531.061 27.566 69.80157       41.12033 
1 1 1 -7  33 19 f 207.709 28.230 9.6598  2.4188 13.252  4.8406  8.4643  2.7924 231.825 50.716 191.145 35.813 40.67957       62.08621 
1 1 1 -7  33 20 o 333.661 18.925 24.151  2.6632 0.0000  0.0000  24.151  2.6632 ?       ?      333.661 18.925 0.000000       18.92543 
1 1 1 -7  33 21 f 177.174 25.360 7.0460  1.8485 0.0000  0.0000  7.0460  1.8485 ?       ?      177.174 25.360 0.000000       25.36037 
1 1 1 -7  33 22 f 91.747  34.501 1.5692  1.8203 0.0000  0.0000  1.5692  1.8203 ?       ?      91.747  34.501 0.000000       34.50071 
1 1 1 -7  33 23 o 131.771 24.260 3.9573  1.3039 0.0000  0.0000  3.9573  1.3039 ?       ?      131.771 24.260 0.000000       24.25992 
1 1 1 -7  33 24 o 129.183 25.431 3.8516  1.3417 4.1751  2.1666  3.6504  1.7088 130.207 37.349 123.289 32.331 6.918518       49.39877 
1 1 1 -7  33 25 o 89.909  28.787 1.8389  1.2398 0.2202  2.1320  2.6660  1.5240 79.822  34.483 106.032 31.581 -26.21011      46.75905 
1 1 1 -7  34 1  o 272.401 20.257 15.923  2.3201 17.868  3.2227  13.830  3.3430 287.290 26.798 251.119 32.175 36.17110       41.87258 
1 1 1 -7  34 2  o 419.051 22.164 37.637  3.9193 0.0000  0.0000  37.637  3.9193 ?       ?      419.051 22.164 0.000000       22.16363 
1 1 1 -7  34 3  o 219.809 27.627 10.536  2.5149 0.0000  0.0000  10.536  2.5149 ?       ?      219.809 27.627 0.000000       27.62732 
1 1 1 -7  34 4  o 240.345 24.912 12.506  2.4989 0.0000  0.0000  12.506  2.4989 ?       ?      240.345 24.912 0.000000       24.91246 
1 1 1 -7  34 5  o 394.817 15.320 33.160  2.5615 36.723  4.0384  30.761  3.3133 413.641 23.147 378.998 20.722 34.64307       31.06712 
1 1 1 -7  34 6  o 309.321 20.425 20.518  2.6605 20.742  3.2774  20.084  4.5558 310.014 25.181 301.965 36.356 8.049377       44.22519 
1 1 1 -7  34 7  o 343.101 18.456 25.177  2.6718 23.990  3.3485  27.257  4.4327 333.774 23.846 354.283 29.822 -20.50839      38.18366 
1 1 1 -7  34 8  o 470.730 16.305 47.197  3.2504 46.592  4.0179  48.343  5.5295 466.946 20.318 473.021 27.724 -6.075348      34.37235 
1 1 1 -7  34 9  o 245.854 20.317 13.009  2.0964 14.474  2.8954  11.395  3.0393 257.925 26.904 227.029 32.543 30.89655       42.22401 
1 1 1 -7  34 10 o 137.479 29.695 4.2423  1.6783 5.5547  2.5155  3.1893  2.2532 156.077 38.335 121.307 38.803 34.76977       54.54596 
1 1 1 -7  34 11 o 226.504 21.217 11.091  2.0115 10.416  2.7688  11.844  2.9271 216.923 31.024 231.704 30.578 -14.78098      43.56028 
1 1 1 -7  34 12 o 206.331 21.088 9.2254  1.8167 9.6024  2.4802  8.7890  2.6686 208.548 28.856 198.149 32.960 10.39975       43.80662 
1 1 1 -7  34 13 o 357.280 16.028 27.255  2.4251 30.513  3.2554  23.192  3.6351 376.512 20.494 326.231 26.542 50.28128       33.53325 
1 1 1 -7  34 14 o 150.955 26.625 5.0807  1.6399 6.3942  2.1630  3.3051  2.5148 168.380 31.490 123.484 41.098 44.89621       51.77528 
1 1 1 -7  34 15 o 438.209 18.663 41.198  3.4633 40.502  5.2177  41.746  4.6305 429.751 28.837 438.165 25.059 -8.414337      38.20311 
1 1 1 -7  34 16 o 134.639 32.173 4.1508  1.8094 4.4801  3.8758  4.0590  2.0461 143.652 50.898 132.745 35.645 10.90688       62.13766 
1 1 1 -7  34 17 o 273.886 19.172 16.218  2.2097 0.0000  0.0000  16.218  2.2097 ?       ?      273.886 19.172 0.000000       19.17167 
1 1 1 -7  34 18 f 176.893 24.670 6.9473  1.7978 0.0000  0.0000  6.9473  1.7978 ?       ?      176.893 24.670 0.000000       24.67007 
1 1 1 -7  34 19 o 161.725 27.076 5.9116  1.7888 0.0000  0.0000  5.9116  1.7888 ?       ?      161.725 27.076 0.000000       27.07566 
1 1 1 -7  34 20 o 168.381 19.833 6.2354  1.3871 2.4974  2.4571  7.9841  1.6805 110.005 40.320 190.328 21.210 -80.32278      45.55888 
1 1 1 -7  34 21 o 93.377  28.026 1.9787  1.1968 -0.0820 1.9286  3.2693  1.5262 74.710  32.534 118.321 30.321 -43.61049      44.47263 
1 1 1 -7  34 22 o 110.863 30.108 2.8819  1.4501 2.6719  2.0988  3.0737  2.0058 108.880 37.532 114.420 36.612 -5.540718      52.43178 
1 1 1 -7  34 23 o 70.174  26.362 0.8789  1.0623 0.3306  1.8116  1.1663  1.3114 75.876  32.260 78.727  29.346 -2.851410      43.61087 
1 1 1 -7  34 24 o 92.378  27.263 1.9793  1.1398 3.2230  1.9717  1.3551  1.3969 115.414 36.227 82.614  30.383 32.80052       47.28148 
1 1 1 -7  35 1  o 275.140 24.650 16.376  2.8418 16.415  3.6949  16.321  4.4463 273.345 32.560 270.116 40.085 3.229584       51.64273 
1 1 1 -7  35 2  o 240.147 24.163 12.492  2.4240 8.6942  3.0132  19.457  4.0808 196.511 37.577 297.838 32.903 -101.3271      49.94660 
1 1 1 -7  35 3  o 256.691 28.452 14.369  3.0409 0.0000  0.0000  14.369  3.0409 ?       ?      256.691 28.452 0.000000       28.45244 
1 1 1 -7  35 4  o 298.342 25.241 19.249  3.1591 0.0000  0.0000  19.249  3.1591 ?       ?      298.342 25.241 0.000000       25.24069 
1 1 1 -7  35 5  o 388.679 20.352 32.380  3.3383 0.0000  0.0000  32.380  3.3383 ?       ?      388.679 20.352 0.000000       20.35204 
1 1 1 -7  35 6  o 269.758 23.692 15.728  2.6791 0.0000  0.0000  15.728  2.6791 ?       ?      269.758 23.692 0.000000       23.69193 
1 1 1 -7  35 7  o 545.364 16.118 63.382  3.7226 64.522  7.8271  63.049  4.2319 543.225 34.198 543.407 18.389 -0.1818237     38.82873 
1 1 1 -7  35 8  o 185.467 24.344 7.5159  1.8659 8.6424  4.4141  7.2708  2.0589 191.967 52.695 181.568 27.649 10.39902       59.50801 
1 1 1 -7  35 9  o 434.466 16.059 40.253  2.9547 38.245  6.7343  40.732  3.2882 414.903 38.776 436.694 17.780 -21.79129      42.65812 
1 1 1 -7  35 10 o 169.073 26.255 6.3119  1.8189 7.1389  4.5076  6.1510  1.9880 175.225 54.739 166.061 29.341 9.164474       62.10665 
1 1 1 -7  35 11 o 316.958 17.533 21.542  2.3443 18.873  5.0812  22.264  2.6424 287.685 43.028 321.774 19.483 -34.08832      47.23352 
1 1 1 -7  35 12 o 226.109 19.139 11.035  1.8155 7.9427  3.8049  11.946  2.0658 183.227 48.337 234.888 20.988 -51.66130      52.69724 
1 1 1 -7  35 13 o 332.528 15.655 23.622  2.2045 25.882  4.4625  22.893  2.5355 342.377 31.117 326.301 18.424 16.07602       36.16263 
1 1 1 -7  35 14 o 196.848 28.223 8.6125  2.2855 6.7930  3.4038  10.106  3.0841 169.288 46.193 210.769 35.835 -41.48134      58.46272 
1 1 1 -7  35 15 o 210.414 20.985 9.6346  1.8450 12.728  3.7882  8.6725  2.1124 235.134 39.439 198.150 25.785 36.98346       47.11982 
1 1 1 -7  35 16 o 325.000 15.701 22.613  2.1609 17.675  4.3340  24.247  2.4929 278.104 37.777 335.625 17.601 -57.52054      41.67584 
1 1 1 -7  35 17 o 261.143 17.655 14.730  1.9410 13.083  3.8252  15.302  2.2526 236.977 39.507 265.387 20.194 -28.40961      44.36887 
1 1 1 -7  35 18 o 215.139 17.545 10.039  1.5846 10.133  2.7645  9.9931  1.9338 210.599 32.004 213.316 21.709 -2.717102      38.67194 
1 1 1 -7  35 19 o 144.682 24.096 4.7090  1.4245 8.1416  2.5931  3.2256  1.7047 186.807 34.032 117.458 32.939 69.34880       47.36230 
1 1 1 -7  35 20 o 201.483 17.539 8.8418  1.4816 8.3727  2.3752  9.1406  1.8957 190.894 30.400 203.146 22.408 -12.25186      37.76593 
1 1 1 -7  35 21 o 177.082 19.797 6.9146  1.4592 3.5944  2.2627  9.2789  1.9094 122.769 38.844 204.371 22.430 -81.60233      44.85475 
1 1 1 -7  35 22 o 157.433 24.866 5.6429  1.6028 3.3892  2.3347  7.6520  2.2043 118.993 39.598 181.379 29.728 -62.38631      49.51533 
1 1 1 -7  35 23 o 215.234 19.196 10.228  1.7314 7.1426  2.7067  12.364  2.2524 169.274 38.612 234.827 22.943 -65.55351      44.91404 
1 1 1 -7  35 24 o 101.101 29.785 2.4126  1.3615 0.6931  2.3119  3.3257  1.6847 86.552  36.604 117.262 32.696 -30.70956      49.08003 
1 1 1 -7  36 1  o 260.107 22.785 14.631  2.4845 12.022  3.6776  16.821  3.3698 230.830 39.012 277.302 29.130 -46.47160      48.68753 
1 1 1 -7  36 2  o 467.536 19.471 46.749  3.8553 47.605  5.0902  45.599  5.9042 469.403 25.704 457.456 30.654 11.94684       40.00461 
1 1 1 -7  36 3  o 302.211 32.417 20.080  4.0841 0.0000  0.0000  20.080  4.0841 ?       ?      302.211 32.417 0.000000       32.41741 
1 1 1 -7  36 4  o 287.165 19.699 17.721  2.3811 21.668  3.8622  15.301  3.0242 315.068 29.281 264.875 27.355 50.19360       40.07035 
1 1 1 -7  36 5  o 232.754 20.848 11.695  2.0332 9.5065  2.9921  13.573  2.7714 205.730 35.633 249.464 26.645 -43.73433      44.49359 
1 1 1 -7  36 6  o 196.294 22.749 8.3814  1.8560 5.5227  3.2315  9.7886  2.2672 155.368 45.919 211.576 25.841 -56.20824      52.69092 
1 1 1 -7  36 7  o 265.885 17.516 15.166  1.9613 17.913  2.9760  13.056  2.6077 287.334 24.697 244.770 25.532 42.56401       35.52217 
1 1 1 -7  36 8  o 316.949 18.046 21.548  2.4122 20.239  3.0851  23.606  3.8694 305.618 24.031 328.900 28.048 -23.28189      36.93462 
1 1 1 -7  36 9  o 210.048 17.912 9.5035  1.5781 9.4088  2.8721  9.5444  1.8888 204.524 34.380 209.711 21.575 -5.186981      40.58886 
1 1 1 -7  36 10 f 110.618 30.715 2.7543  1.4900 -1.1778 4.4613  3.2479  1.5808 107.455 48.003 119.718 30.952 -12.26295      57.11644 
1 1 1 -7  36 11 o 316.638 17.523 21.525  2.3405 25.377  5.1193  20.507  2.6317 336.619 36.495 308.318 20.268 28.30167       41.74586 
1 1 1 -7  36 12 o 221.290 17.196 10.546  1.5989 13.181  2.5479  8.8340  2.0536 245.483 24.851 200.551 24.701 44.93199       35.03862 
1 1 1 -7  36 13 o 187.640 19.588 7.6480  1.5336 10.807  2.4427  5.5923  1.9704 221.355 26.589 157.110 30.715 64.24522       40.62548 
1 1 1 -7  36 14 o 315.600 17.374 21.423  2.3132 21.085  3.0564  21.877  3.5391 311.151 23.366 315.649 26.726 -4.498444      35.50022 
1 1 1 -7  36 15 o 305.162 14.836 19.918  1.9173 22.001  3.0329  18.531  2.4745 317.862 22.679 292.476 20.100 25.38632       30.30452 
1 1 1 -7  36 16 o 221.656 17.300 10.623  1.6111 7.1888  2.8467  12.242  1.9542 174.428 39.459 237.361 19.616 -62.93291      44.06643 
1 1 1 -7  36 17 o 332.637 14.085 23.701  1.9842 21.735  3.0926  25.076  2.5868 314.611 23.378 340.469 18.005 -25.85825      29.50799 
1 1 1 -7  36 18 f 142.204 26.271 4.5993  1.5238 3.7143  2.2245  5.3817  2.0916 125.389 38.337 151.343 33.518 -25.95376      50.92322 
1 1 1 -7  36 19 o 318.799 14.841 21.853  2.0037 15.361  3.2626  25.784  2.5389 259.744 30.225 344.879 17.440 -85.13516      34.89585 
1 1 1 -7  36 20 o 150.226 21.509 5.0338  1.3294 5.8136  2.2335  4.6060  1.6543 156.166 34.675 140.970 28.686 15.19576       45.00276 
1 1 1 -7  36 21 o 229.034 17.054 11.443  1.6423 11.753  2.5795  11.231  2.1297 227.088 27.375 224.385 22.726 2.702789       35.57851 
1 1 1 -7  36 22 o 180.431 23.490 7.3584  1.7523 11.275  2.4483  3.2457  2.5090 222.099 26.557 116.809 40.993 105.2899       48.84335 
1 1 1 -7  36 23 o 167.947 21.507 6.3360  1.4945 8.1957  2.3107  4.9986  1.9596 186.575 30.283 143.598 32.926 42.97620       44.73450 
1 1 1 -7  37 1  f 317.949 18.924 21.716  2.5365 21.713  4.0277  21.718  3.2654 314.341 30.646 316.432 24.560 -2.091095      39.27325 
1 1 1 -7  37 2  o 279.921 20.971 16.905  2.4680 16.034  3.7161  17.591  3.3011 268.807 33.361 283.627 27.842 -14.81982      43.45285 
1 1 1 -7  37 3  o 279.002 20.945 16.793  2.4567 14.699  3.8477  18.235  3.1921 256.069 36.516 289.287 26.344 -33.21851      45.02692 
1 1 1 -7  37 4  o 241.780 37.432 13.170  3.7088 13.170  3.7088  0.0000  0.0000 241.780 37.432 ?       ?      0.000000       37.43167 
1 1 1 -7  37 5  o 282.357 24.083 17.305  2.8522 17.566  4.2194  17.085  3.8704 280.234 36.414 277.387 33.636 2.847839       49.57193 
1 1 1 -7  37 6  f 190.333 21.718 7.8824  1.7192 7.5543  2.4472  8.2021  2.4157 183.272 32.732 191.745 30.792 -8.472336      44.93883 
1 1 1 -7  37 7  o 87.252  30.410 1.5031  1.3797 -0.3468 2.0417  3.0578  1.8717 75.998  33.274 116.947 35.036 -40.94888      48.31880 
1 1 1 -7  37 8  o 151.581 23.498 5.0670  1.4596 6.9635  2.2934  3.7758  1.8923 175.813 31.981 128.688 34.155 47.12447       46.79022 
1 1 1 -7  37 9  o 251.589 15.859 13.576  1.6811 13.714  2.7645  13.495  2.1176 250.061 26.509 249.850 20.186 0.2112427      33.31971 
1 1 1 -7  37 10 f 228.592 17.698 11.260  1.7000 14.906  2.8106  9.1569  2.1347 260.891 25.775 204.079 25.238 56.81216       36.07429 
1 1 1 -7  37 11 o 394.812 14.291 33.273  2.3895 34.426  3.7578  32.491  3.0959 398.696 22.346 389.008 18.793 9.688141       29.19796 
1 1 1 -7  37 12 o 204.416 18.810 9.0506  1.6101 9.0334  2.6528  9.0607  2.0258 199.989 32.433 203.124 24.015 -3.134415      40.35658 
1 1 1 -7  37 13 o 239.181 16.969 12.326  1.7076 17.221  2.8309  9.5265  2.1409 280.678 24.049 207.965 24.798 72.71388       34.54416 
1 1 1 -7  37 14 o 152.587 27.361 5.2431  1.7031 6.3880  2.2100  3.5689  2.6724 167.083 32.402 126.482 42.371 40.60062       53.34006 
1 1 1 -7  37 15 o 190.876 19.398 7.9423  1.5462 6.4645  2.4473  8.9242  1.9948 166.461 35.781 201.027 23.900 -34.56659      43.02866 
1 1 1 -7  37 16 o 173.841 20.164 6.6344  1.4569 7.0669  2.4940  6.4103  1.7950 173.829 35.088 168.941 25.916 4.888153       43.62124 
1 1 1 -7  37 17 o 142.638 21.488 4.5290  1.2577 4.3955  2.2505  4.5896  1.5166 135.506 37.792 142.050 26.176 -6.544128      45.97171 
1 1 1 -7  37 18 o 157.182 20.566 5.4708  1.3362 3.0930  2.1703  6.9222  1.6956 115.756 38.162 176.091 23.311 -60.33512      44.71864 
1 1 1 -7  37 19 o 177.628 20.371 6.9711  1.5047 8.3041  2.6526  6.3386  1.8271 187.402 34.701 166.806 26.770 20.59616       43.82704 
1 1 1 -7  37 20 o 79.993  28.638 1.2922  1.2301 3.5593  4.5629  1.1145  1.2774 131.037 53.014 77.573  28.954 53.46329       60.40589 
1 1 1 -7  37 21 o 179.898 18.849 7.1540  1.4147 6.8122  2.2200  7.3878  1.8357 169.073 32.180 180.234 24.701 -11.16077      40.56715 
1 1 1 -7  37 22 o 97.062  30.144 2.2056  1.3692 3.0474  2.0945  1.5773  1.8094 112.479 37.510 90.092  34.277 22.38732       50.81207 
1 1 1 -7  37 23 o 164.189 26.547 6.2432  1.7829 7.9521  2.5095  4.5013  2.5336 181.225 33.945 132.762 40.967 48.46259       53.20331 
1 1 1 -7  38 1  o 320.539 19.567 22.127  2.6434 23.154  4.0183  21.343  3.5098 324.519 29.563 312.514 26.779 12.00470       39.88813 
1 1 1 -7  38 2  o 151.085 30.863 5.1610  1.9080 2.6718  2.8946  7.0734  2.5372 118.659 43.722 176.187 35.236 -57.52870      56.15334 
1 1 1 -7  38 3  o 236.138 23.390 12.143  2.3083 10.060  3.8943  13.271  2.8661 207.041 45.644 245.537 28.067 -38.49606      53.58284 
1 1 1 -7  38 4  o 154.131 38.571 5.4901  2.5116 0.2687  3.3419  12.267  3.8073 101.827 43.567 231.369 40.323 -129.5424      59.36326 
1 1 1 -7  38 5  o 54.980  26.688 -3.2183 1.9484 -2.5355 2.8098  -3.8507 2.7040 75.315  35.252 67.012  32.260 8.303345       47.78480 
1 1 1 -7  38 6  o 296.087 19.128 18.885  2.3856 15.582  3.0573  24.029  3.8145 266.328 27.502 331.315 27.434 -64.98712      38.84562 
1 1 1 -7  38 7  o 270.523 19.176 15.785  2.1826 15.336  2.8083  16.470  3.4686 264.828 25.350 272.635 30.568 -7.806976      39.71180 
1 1 1 -7  38 8  o 233.676 18.025 11.774  1.7700 9.5432  2.9719  13.001  2.2034 204.806 35.555 244.723 21.477 -39.91772      41.53796 
1 1 1 -7  38 9  f 296.440 15.892 18.848  1.9878 19.995  3.1335  18.076  2.5713 302.690 24.659 288.856 21.168 13.83374       32.49850 
1 1 1 -7  38 10 o 72.637  27.707 0.8286  1.1841 -0.1124 2.1438  1.2416  1.4205 79.596  34.481 83.125  30.628 -3.529190      46.11990 
1 1 1 -7  38 11 o 200.139 19.525 8.7000  1.6338 9.2618  2.7564  8.3957  2.0286 202.005 33.388 194.977 25.154 7.027466       41.80281 
1 1 1 -7  38 12 o 180.427 20.588 7.1128  1.5449 6.4139  2.6612  7.4680  1.8974 165.424 38.679 183.625 25.053 -18.20120      46.08393 
1 1 1 -7  38 13 o 265.396 15.897 15.153  1.7785 13.376  2.9200  16.201  2.2424 244.928 28.695 273.387 19.496 -28.45865      34.69162 
1 1 1 -7  38 14 o 165.841 28.984 6.2424  1.9615 3.8651  2.9859  8.0470  2.6016 130.692 44.782 186.663 34.170 -55.97113      56.32928 
1 1 1 -7  38 15 o 295.662 16.860 18.890  2.1023 16.298  4.0849  19.824  2.4519 264.316 37.549 301.987 19.273 -37.67047      42.20657 
1 1 1 -7  38 16 o 194.437 18.209 8.2516  1.4819 9.0122  2.5747  7.8748  1.8122 197.634 31.844 188.169 23.235 9.465393       39.41949 
1 1 1 -7  38 17 f 170.507 19.980 6.4117  1.4154 3.6800  2.3687  7.9287  1.7652 124.492 39.782 188.890 22.510 -64.39790      45.70880 
1 1 1 -7  38 18 o 216.508 17.977 10.235  1.6334 12.311  2.7552  9.1107  2.0282 232.555 28.577 201.702 24.229 30.85286       37.46567 
1 1 1 -7  38 19 o 74.033  27.086 1.0473  1.1081 0.3984  1.9171  1.3729  1.3579 78.553  33.283 82.869  30.035 -4.316124      44.83111 
1 1 1 -7  38 20 o 130.289 25.031 3.9161  1.3309 5.6673  2.2506  2.9744  1.6504 152.089 35.576 111.406 32.785 40.68300       48.37930 
1 1 1 -7  38 21 o 152.344 20.959 5.2180  1.3164 3.8427  2.1895  5.9964  1.6474 124.125 38.048 161.704 24.851 -37.57971      45.44517 
1 1 1 -7  38 22 o 121.016 30.174 3.5208  1.5411 4.7824  2.3078  2.5054  2.0703 137.463 38.246 104.456 37.179 33.00719       53.33821 
1 1 1 -7  39 1  o 115.543 35.985 2.9776  1.9497 3.9655  3.0047  2.2591  2.5623 133.916 44.927 110.412 41.048 23.50441       60.85535 
1 1 1 -7  39 2  o 117.980 39.833 2.9899  2.3621 5.1568  3.5205  1.2154  3.1857 149.785 48.565 107.017 43.918 42.76785       65.47823 
1 1 1 -7  39 3  o 92.604  34.677 1.4947  1.8351 3.6661  3.1440  0.3726  2.2601 131.174 45.896 86.239  36.316 44.93517       58.52556 
1 1 1 -7  39 4  o 123.147 38.840 3.3982  2.2635 2.0681  3.1123  4.8919  3.2980 113.978 44.532 146.050 46.970 -32.07144      64.72431 
1 1 1 -7  39 5  o 196.988 23.197 8.5007  1.8981 10.529  3.0407  7.2057  2.4296 215.633 34.458 177.961 33.466 37.67230       48.03440 
1 1 1 -7  39 6  o 179.775 21.685 7.0689  1.6176 7.3697  2.3660  6.8049  2.2166 180.412 32.146 173.461 31.328 6.950500       44.88616 
1 1 1 -7  39 7  o 423.055 16.517 38.329  2.9593 36.540  3.7520  41.274  4.8137 410.874 21.639 434.552 26.281 -23.67798      34.04328 
1 1 1 -7  39 8  o 312.200 20.315 21.088  2.6713 22.663  3.4928  18.868  4.1463 321.622 25.862 289.480 34.502 32.14124       43.11877 
1 1 1 -7  39 9  o 150.399 30.654 5.1514  1.8862 5.6341  2.4754  4.4831  2.9125 155.324 37.955 139.360 44.068 15.96486       58.15970 
1 1 1 -7  39 10 f 162.943 21.262 5.8295  1.4322 6.0399  2.4164  5.7155  1.7783 161.186 36.275 159.554 27.299 1.631897       45.39944 
1 1 1 -7  39 11 o 247.741 17.726 13.259  1.8475 16.604  3.0015  11.220  2.3441 274.363 26.149 225.533 24.962 48.83075       36.15047 
1 1 1 -7  39 12 o 263.715 16.226 14.983  1.8033 14.340  2.8572  15.409  2.3249 254.177 26.955 266.000 20.804 -11.82253      34.04993 
1 1 1 -7  39 13 o 342.503 14.670 25.148  2.1278 20.947  3.3746  27.921  2.7414 307.529 26.160 359.324 18.073 -51.79547      31.79580 
1 1 1 -7  39 14 o 223.189 19.495 10.880  1.8241 14.284  3.4755  9.5856  2.1430 249.005 33.835 207.390 24.898 41.61465       42.00838 
1 1 1 -7  39 15 f 138.223 25.165 4.3387  1.4188 4.3075  2.4933  4.3536  1.7254 133.612 40.530 136.586 30.589 -2.973969      50.77768 
1 1 1 -7  39 16 o 270.697 15.374 15.835  1.7552 17.704  2.8686  14.717  2.2190 282.178 24.240 258.949 20.400 23.22940       31.68204 
1 1 1 -7  39 17 o 163.751 20.750 5.9510  1.4066 4.4252  2.3537  6.7988  1.7544 134.669 39.016 173.696 24.533 -39.02724      46.08828 
1 1 1 -7  39 18 f 311.710 14.888 20.962  1.9653 19.913  3.1148  21.656  2.5333 298.017 24.908 314.420 19.116 -16.40317      31.39818 
1 1 1 -7  39 19 o 94.781  28.441 2.0895  1.2326 2.3992  2.1738  1.9427  1.4965 104.345 37.973 93.196  31.704 11.14888       49.46830 
1 1 1 -7  39 20 o 156.692 20.855 5.5155  1.3495 5.8404  2.2331  5.3285  1.6938 154.029 35.026 150.925 27.514 3.103897       44.54026 
1 1 1 -7  39 21 o 64.015  26.087 0.4691  1.1141 -2.9751 2.0589  1.8951  1.3248 56.765  27.527 90.888  29.809 -34.12233      40.57467 
1 1 1 -7  40 1  o 115.823 35.399 3.0264  1.8968 2.5373  2.8806  3.4009  2.5204 116.130 43.454 123.971 41.138 -7.841789      59.83773 
1 1 1 -7  40 2  o 153.651 32.845 5.4110  2.0724 3.7992  3.2743  6.4882  2.6768 132.857 46.812 166.701 38.667 -33.84422      60.71675 
1 1 1 -7  40 3  o 180.318 27.216 7.2476  2.0136 5.6336  3.3443  8.1655  2.5220 154.401 46.963 189.740 32.559 -35.33849      57.14543 
1 1 1 -7  40 4  o 175.740 33.532 7.0578  2.4045 6.0797  3.3498  8.0974  3.4537 159.784 46.618 184.301 44.707 -24.51663      64.59092 
1 1 1 -7  40 5  o 135.157 28.671 4.1481  1.5902 6.0203  2.5362  2.9352  2.0414 160.623 37.897 114.955 36.952 45.66816       52.93014 
1 1 1 -7  40 6  o 135.569 28.689 4.1757  1.5958 3.8678  2.4951  4.3889  2.0758 130.038 40.742 137.575 35.418 -7.537216      53.98489 
1 1 1 -7  40 7  o 135.055 25.533 4.0984  1.4069 3.5958  2.5049  4.3301  1.7004 126.233 40.969 137.701 30.007 -11.46821      50.78253 
1 1 1 -7  40 8  o 149.154 27.575 5.0202  1.6776 6.0612  3.6760  4.7464  1.8854 158.865 49.401 143.710 31.820 15.15479       58.76149 
1 1 1 -7  40 9  o 141.539 25.662 4.5032  1.4816 8.7921  2.5379  2.2860  1.8247 196.874 31.502 103.382 35.010 93.49202       47.09632 
1 1 1 -7  40 10 o 189.247 23.798 7.9200  1.8651 9.4913  2.6154  6.2942  2.6605 204.578 31.174 163.008 39.052 41.57043       49.96877 
1 1 1 -7  40 11 f 287.746 20.044 18.011  2.4273 20.081  3.1978  15.196  3.7284 301.618 25.268 257.194 35.152 44.42395       43.29095 
1 1 1 -7  40 12 o 218.023 22.521 10.479  2.0495 10.295  2.7072  10.725  3.1367 212.473 31.000 214.534 35.785 -2.061554      47.34543 
1 1 1 -7  40 13 o 344.576 21.186 25.989  3.0766 15.188  4.9553  32.764  3.9246 245.615 49.353 385.175 24.182 -139.5600      54.95911 
1 1 1 -7  40 14 o 150.918 25.568 5.1701  1.5758 2.6644  3.0209  6.1067  1.8470 115.440 44.201 163.446 27.671 -48.00597      52.14823 
1 1 1 -7  40 15 o 121.273 27.370 3.4080  1.3723 4.5125  2.2897  2.7889  1.7143 136.295 38.158 109.382 33.690 26.91299       50.90256 
1 1 1 -7  40 16 o 197.524 18.149 8.5441  1.5012 7.7794  2.5618  8.9441  1.8526 180.843 34.713 200.538 22.186 -19.69550      41.19741 
1 1 1 -7  40 17 o 192.443 18.597 8.1449  1.4967 5.9974  2.4815  9.3728  1.8764 156.080 37.917 205.128 21.941 -49.04774      43.80791 
1 1 1 -7  40 18 o 142.280 23.822 4.6239  1.3846 6.6288  2.3501  3.5578  1.7137 165.138 34.706 121.286 32.643 43.85134       47.64566 
1 1 1 -7  40 19 o 121.861 26.009 3.4773  1.3014 4.1950  2.2697  3.1258  1.5885 128.903 38.574 113.632 31.771 15.27147       49.97313 
1 1 1 -7  40 20 o 87.315  28.669 1.7363  1.2253 2.4907  2.2817  1.4306  1.4525 105.077 38.800 83.867  30.959 21.21026       49.63791 
1 1 1 -7  41 1  o 187.586 34.293 8.0864  2.6239 5.7699  3.2821  12.189  4.3679 155.129 46.377 224.512 47.426 -69.38338      66.33327 
1 1 1 -7  41 2  o 117.770 35.240 3.1702  1.8944 5.5230  2.9949  1.6009  2.4459 152.230 43.984 100.885 39.460 51.34504       59.09051 
1 1 1 -7  41 3  o 123.435 33.945 3.5180  1.8298 5.1007  3.0724  2.6481  2.2777 146.832 45.081 111.982 39.071 34.84991       59.65634 
1 1 1 -7  41 4  o 79.979  37.078 -2.1146 2.9924 0.0000  0.0000  -2.1146 2.9924 ?       ?      79.979  37.078 0.000000       37.07777 
1 1 1 -7  41 5  o 92.264  31.959 1.7500  1.5227 2.2927  2.4178  1.3932  1.9603 108.508 39.963 92.304  35.542 16.20373       53.48125 
1 1 1 -7  41 6  o 151.841 30.071 5.2644  1.8653 5.1268  2.5005  5.4369  2.8008 147.247 39.348 151.012 42.175 -3.764877      57.67997 
1 1 1 -7  41 7  o 238.973 17.383 12.347  1.7471 14.331  2.7477  11.000  2.2637 254.539 25.848 223.267 24.335 31.27211       35.50109 
1 1 1 -7  41 8  o 291.464 17.339 18.346  2.1306 16.795  4.0355  18.945  2.5087 270.244 36.168 295.191 20.189 -24.94675      41.42163 
1 1 1 -7  41 9  o 143.375 25.366 4.6338  1.4838 4.8041  2.6861  4.5591  1.7801 141.697 41.861 140.462 30.776 1.234634       51.95686 
1 1 1 -7  41 10 o 269.242 17.448 15.701  1.9788 20.712  3.6505  13.616  2.3547 303.938 28.701 248.745 22.600 55.19244       36.53042 
1 1 1 -7  41 11 o 164.526 23.795 6.0557  1.6098 5.4370  2.7518  6.3775  1.9848 149.167 41.855 166.831 29.155 -17.66377      51.00854 
1 1 1 -7  41 12 o 142.061 24.208 4.5599  1.4042 2.6410  2.5362  5.4082  1.6862 111.779 40.965 153.996 26.831 -42.21648      48.96982 
1 1 1 -7  41 13 o 67.264  29.592 -0.2388 1.6322 2.6166  2.2300  -3.5334 2.3953 109.085 38.611 61.424  29.763 47.66054       48.75143 
1 1 1 -7  41 14 o 95.828  32.777 2.0111  1.5996 3.9453  2.2013  -0.1531 2.3285 127.726 37.935 80.536  35.391 47.18922       51.88023 
1 1 1 -7  41 15 o 191.867 25.163 8.3174  1.9953 8.1925  2.7621  8.4538  2.8855 184.301 36.679 186.602 37.809 -2.300217      52.67693 
1 1 1 -7  41 16 o 266.061 19.944 15.601  2.2308 12.871  3.0348  18.809  3.2903 234.948 31.278 287.514 27.352 -52.56546      41.55058 
1 1 1 -7  41 17 o 139.744 31.002 4.6748  1.7867 2.2222  2.4182  7.6233  2.6514 103.604 39.576 175.857 36.785 -72.25324      54.03093 
1 1 1 -7  41 18 o 63.579  28.347 -0.3452 1.5476 1.7459  2.0972  -2.8455 2.2932 94.706  36.679 61.759  29.725 32.94716       47.21168 
1 1 1 -7  41 19 f 249.085 28.255 14.448  2.9278 14.448  2.9278  0.0000  0.0000 249.085 28.255 ?       ?      0.000000       28.25498 
1 1 1 -7  41 20 o 124.551 40.792 3.9712  2.4812 3.9712  2.4812  0.0000  0.0000 124.551 40.792 ?       ?      0.000000       40.79187 
1 1 1 -7  42 1  o 138.967 34.065 4.5235  1.9893 4.7953  3.2191  4.3556  2.5302 141.991 46.461 135.546 40.765 6.445435       61.80927 
1 1 1 -7  42 2  o 158.976 36.470 5.9562  2.4031 5.1912  3.1790  6.9763  3.6709 146.836 45.986 167.739 48.762 -20.90294      67.02549 
1 1 1 -7  42 3  o 233.028 26.549 12.093  2.5732 12.104  3.4762  12.079  3.8274 227.965 37.297 225.323 41.644 2.642715       55.90435 
1 1 1 -7  42 4  o 176.189 45.519 7.6123  3.4206 0.0000  0.0000  7.6123  3.4206 ?       ?      176.189 45.519 0.000000       45.51939 
1 1 1 -7  42 5  o 189.835 26.787 8.0840  2.0936 8.2095  2.6906  7.8914  3.3332 187.786 35.125 179.884 44.095 7.901642       56.37506 
1 1 1 -7  42 6  o 178.475 26.718 7.1662  1.9573 5.5781  2.4843  9.7657  3.1784 152.844 38.422 203.400 38.304 -50.55621      54.25401 
1 1 1 -7  42 7  o 174.406 21.402 6.7140  1.5476 7.1411  2.4221  6.4193  2.0118 175.029 33.901 167.572 29.422 7.456818       44.88837 
1 1 1 -7  42 8  o 144.664 24.899 4.7241  1.4704 4.6550  2.9076  4.7479  1.7044 138.888 44.043 143.591 29.026 -4.702621      52.74725 
1 1 1 -7  42 9  o 157.411 24.357 5.5710  1.5712 2.9818  2.6442  6.9843  1.9536 116.826 41.971 175.480 27.166 -58.65398      49.99500 
1 1 1 -7  42 10 o 104.312 29.252 2.5211  1.3445 5.3774  2.5195  1.3839  1.5898 148.503 39.409 86.308  32.284 62.19473       50.94419 
1 1 1 -7  42 11 o 162.399 24.763 5.9575  1.6492 1.7810  3.6659  7.0172  1.8466 112.527 46.734 176.197 25.488 -63.66986      53.23261 
1 1 1 -7  42 12 o 218.003 19.619 10.444  1.7918 9.3775  3.8452  10.739  2.0252 190.677 47.730 220.070 22.026 -29.39346      52.56687 
1 1 1 -7  42 13 o 189.219 27.649 8.1881  2.1502 12.890  3.3974  5.0459  2.7772 233.166 35.529 142.023 42.707 91.14261       55.55373 
1 1 1 -7  42 14 o 64.080  29.275 -0.9022 1.7720 1.9749  2.8564  -2.7018 2.2592 105.815 42.248 62.500  29.930 43.31503       51.77580 
1 1 1 -7  42 15 o 86.082  34.223 1.1776  1.8670 -2.1242 3.4625  2.5311  2.2169 84.009  39.260 106.491 38.410 -22.48214      54.92461 
1 1 1 -7  42 16 o 144.713 30.712 5.0079  1.8239 8.2636  3.2256  3.4777  2.2114 178.271 43.183 118.778 38.489 59.49276       57.84554 
1 1 1 -7  42 17 o 202.691 25.928 9.4607  2.1746 14.995  3.9529  7.0588  2.6041 244.179 39.582 167.405 37.645 76.77419       54.62471 
1 1 1 -7  42 18 f 141.699 29.112 4.7975  1.6885 7.2150  2.5472  2.9024  2.2552 169.648 36.534 109.862 38.836 59.78579       53.31944 
1 1 1 -7  42 19 o 168.867 24.070 6.5466  1.6726 2.1146  5.1020  7.0803  1.7704 118.987 52.334 175.486 24.490 -56.49889      57.78130 
1 1 1 -7  43 1  f 213.171 31.585 10.448  2.7651 0.0000  0.0000  10.448  2.7651 ?       ?      213.171 31.585 0.000000       31.58496 
1 1 1 -7  43 2  o 251.618 27.399 14.226  2.8724 0.0000  0.0000  14.226  2.8724 ?       ?      251.618 27.399 0.000000       27.39913 
1 1 1 -7  43 3  o 174.143 35.335 7.1624  2.5168 0.0000  0.0000  7.1624  2.5168 ?       ?      174.143 35.335 0.000000       35.33479 
1 1 1 -7  43 4  o 165.070 47.656 6.8847  3.5171 0.0000  0.0000  6.8847  3.5171 ?       ?      165.070 47.656 0.000000       47.65568 
1 1 1 -7  43 5  o 105.815 34.664 2.5301  1.7917 1.3207  2.2069  4.8689  3.0689 93.430  37.188 141.105 45.302 -47.67571      58.61044 
1 1 1 -7  43 6  f 91.095  33.609 1.6109  1.7113 2.0671  2.2100  0.9278  2.7044 102.201 38.096 95.684  39.973 6.516495       55.21936 
1 1 1 -7  43 7  o 471.112 16.543 47.935  3.3006 51.902  4.4079  42.872  4.9798 487.041 21.371 437.771 26.993 49.27014       34.42829 
1 1 1 -7  43 8  o 79.841  31.322 0.9824  1.5446 3.3810  2.6266  -0.2855 1.9097 120.961 41.971 72.293  31.898 48.66799       52.71645 
1 1 1 -7  43 9  o 171.432 28.256 6.7494  1.9799 7.6116  2.8319  5.9249  2.7692 176.702 38.897 154.380 41.474 22.32141       56.85982 
1 1 1 -7  43 10 o 182.155 26.120 7.5321  1.9573 5.9952  2.8145  8.9713  2.7237 154.862 41.899 194.752 34.276 -39.89012      54.13305 
1 1 1 -7  43 11 o 144.419 30.259 4.8959  1.7914 2.0227  2.6748  7.2329  2.4123 104.991 41.208 174.446 33.874 -69.45451      53.34424 
1 1 1 -7  43 12 f 125.867 29.276 3.7275  1.5310 0.3902  2.5067  5.7133  1.9336 87.324  37.557 156.055 30.351 -68.73117      48.28772 
1 1 1 -7  43 13 o 167.150 44.203 7.2089  3.1769 7.2089  3.1769  0.0000  0.0000 167.150 44.203 ?       ?      0.000000       44.20264 
1 1 1 -7  43 14 o 121.169 30.721 3.5200  1.5786 6.1060  2.3945  1.5320  2.0995 157.102 36.660 92.757  36.476 64.34499       51.71515 
1 1 1 -7  43 15 o 259.749 20.224 14.990  2.2071 13.969  3.1785  15.939  3.0670 242.758 31.673 262.427 28.031 -19.66959      42.29515 
1 1 1 -7  43 16 o 167.535 27.335 6.5715  1.8725 0.0000  0.0000  6.5715  1.8725 ?       ?      167.535 27.335 0.000000       27.33461 
1 1 1 -7  43 17 o 118.632 29.881 3.4115  1.5004 0.0000  0.0000  3.4115  1.5004 ?       ?      118.632 29.881 0.000000       29.88115 
1 1 1 -7  43 18 o 147.060 27.717 5.1222  1.6628 0.0000  0.0000  5.1222  1.6628 ?       ?      147.060 27.717 0.000000       27.71676 
1 1 1 -7  44 1  o 244.246 25.828 13.402  2.6310 16.444  3.7326  10.399  3.7090 265.573 33.967 203.928 44.221 61.64508       55.76069 
1 1 1 -7  44 2  o 61.790  28.408 -1.0470 1.7047 1.8918  2.9216  -2.5639 2.0990 106.494 42.654 60.391  28.902 46.10323       51.52329 
1 1 1 -7  44 3  f 335.334 22.950 24.879  3.2396 0.0000  0.0000  24.879  3.2396 ?       ?      335.334 22.950 0.000000       22.95024 
1 1 1 -7  44 4  f 359.977 21.478 28.513  3.2594 0.0000  0.0000  28.513  3.2594 ?       ?      359.977 21.478 0.000000       21.47822 
1 1 1 -7  44 5  o 86.870  33.826 1.2594  1.7911 2.6435  4.7300  1.0277  1.9352 126.633 52.880 85.981  34.617 40.65233       63.20301 
1 1 1 -7  44 6  o 159.003 27.845 5.8184  1.8066 3.3960  4.9768  6.1860  1.9389 133.042 54.780 163.514 29.065 -30.47221      62.01288 
1 1 1 -7  44 7  o 241.528 21.361 12.896  2.1624 8.4017  4.9669  13.948  2.4020 173.862 57.752 250.476 22.897 -76.61348      62.12597 
1 1 1 -7  44 8  o 101.770 32.008 2.3921  1.5383 4.1156  4.7990  2.1948  1.6240 136.753 54.705 98.790  33.030 37.96358       63.90301 
1 1 1 -7  44 9  o 143.674 30.243 4.8541  1.7819 3.3897  4.8358  5.0842  1.9168 131.289 54.021 146.423 31.821 -15.13373      62.69628 
1 1 1 -7  44 10 o 321.080 17.104 22.445  2.3174 17.342  5.8455  23.397  2.5242 250.503 56.454 327.196 18.290 -76.69316      59.34260 
1 1 1 -7  44 11 o 118.044 31.848 3.3351  1.6288 9.8203  4.0669  2.0961  1.7776 191.300 49.737 97.749  34.487 93.55138       60.52340 
1 1 1 -7  44 12 o 94.174  31.331 2.0160  1.4616 -1.8416 4.0836  2.5828  1.5653 92.640  43.073 104.434 32.197 -11.79328      53.77642 
1 1 1 -7  44 13 o 134.709 40.538 4.6460  2.5016 0.0000  0.0000  4.6460  2.5016 ?       ?      134.709 40.538 0.000000       40.53823 
1 1 1 -7  44 14 o 119.292 30.846 3.4537  1.5699 3.9975  3.9580  3.3521  1.7102 127.348 50.081 116.845 33.070 10.50300       60.01503 
1 1 1 -7  44 15 o 118.979 29.838 3.4297  1.5008 4.8271  3.7412  3.1617  1.6384 133.604 49.614 113.439 32.460 20.16508       59.28916 
1 1 1 -7  44 16 f 126.397 29.226 3.8572  1.5332 2.1543  3.7229  4.2050  1.6825 110.223 46.523 131.300 30.791 -21.07699      55.78963 
1 1 1 -7  44 17 o 118.065 27.156 3.3272  1.3295 3.8198  2.3182  3.0858  1.6230 121.842 39.400 111.894 32.392 9.948189       51.00586 
1 1 1 -7  45 1  o 230.933 28.408 12.193  2.7197 13.192  3.7248  11.053  3.9802 233.121 39.115 207.604 46.435 25.51753       60.71405 
1 1 1 -7  45 2  o 164.201 32.870 6.3937  2.2059 6.1375  3.2061  6.6241  3.0398 154.552 45.754 161.552 43.475 -6.999527      63.11503 
1 1 1 -7  45 3  o 188.381 24.882 8.0167  1.9364 6.7361  3.0175  8.9134  2.5249 163.097 43.055 195.281 31.612 -32.18370      53.41362 
1 1 1 -7  45 4  o 277.289 23.510 17.144  2.7348 0.0000  0.0000  17.144  2.7348 ?       ?      277.289 23.510 0.000000       23.51048 
1 1 1 -7  45 5  o 85.260  31.299 1.4358  1.4814 -1.8916 2.2851  3.8477  1.9456 67.416  31.630 126.154 35.122 -58.73756      47.26511 
1 1 1 -7  45 6  o 219.872 18.911 10.624  1.7437 11.949  2.7189  9.6973  2.2727 228.102 28.787 206.375 26.625 21.72755       39.21229 
1 1 1 -7  45 7  o 213.686 24.604 10.296  2.1859 16.969  3.2352  4.6915  2.9650 272.327 28.473 136.377 44.589 135.9502       52.90427 
1 1 1 -7  45 8  f 187.742 20.840 7.8405  1.6289 10.130  2.8612  6.7423  1.9814 206.315 33.927 170.481 28.447 35.83427       44.27441 
1 1 1 -7  45 9  o 64.584  28.298 -0.1353 1.4792 -3.4306 2.8606  1.0675  1.7283 69.163  33.266 82.837  32.929 -13.67445      46.80766 
1 1 1 -7  45 10 o 133.238 29.688 4.2218  1.6323 -0.2341 4.5808  4.8699  1.7469 105.285 47.697 143.298 29.760 -38.01273      56.21932 
1 1 1 -7  45 11 o 103.038 31.297 2.5307  1.4860 4.4233  2.7332  1.7365  1.7706 131.100 42.808 91.706  34.116 39.39413       54.73948 
1 1 1 -7  45 12 o 124.799 27.596 3.6956  1.4197 2.8512  2.5305  4.0835  1.7151 110.565 40.854 129.496 31.563 -18.93018      51.62613 
1 1 1 -7  45 13 o 93.583  30.168 2.0557  1.3599 -0.1890 3.0302  2.6218  1.5218 87.651  39.329 104.071 31.686 -16.41915      50.50520 
1 1 1 -7  45 14 o 100.167 29.950 2.4156  1.3687 1.1449  2.3934  3.0332  1.6685 90.361  37.665 110.870 33.049 -20.50880      50.10842 
1 1 1 -7  45 15 o 71.840  28.490 0.8117  1.2909 0.7323  2.4413  0.8426  1.5210 86.972  37.225 75.782  30.626 11.19025       48.20409 
1 1 1 -7  45 16 o 126.278 25.537 3.7581  1.3187 3.0411  2.3580  4.0844  1.5907 111.100 39.663 129.742 29.605 -18.64239      49.49413 
1 1 1 -7  46 1  o 90.160  34.529 1.5266  1.8437 0.5065  3.0569  2.1098  2.3114 94.632  41.085 101.839 38.742 -7.206390      56.47041 
1 1 1 -7  46 2  o 145.924 32.615 5.1170  1.9649 9.2599  3.2386  2.7039  2.4717 191.865 41.097 110.120 40.429 81.74514       57.64901 
1 1 1 -7  46 3  o 127.563 35.558 3.9838  1.9929 2.6239  2.5624  6.0655  3.1703 109.728 40.998 152.239 45.596 -42.51147      61.31793 
1 1 1 -7  46 4  o 129.257 44.325 4.1721  2.9254 0.0000  0.0000  4.1721  2.9254 ?       ?      129.257 44.325 0.000000       44.32511 
1 1 1 -7  46 5  o 68.881  28.351 0.4894  1.3324 1.2790  2.1509  -0.0023 1.6972 90.627  36.492 70.209  30.547 20.41814       47.58996 
1 1 1 -7  46 6  o 108.480 30.249 2.8035  1.4420 2.7784  2.6966  2.8135  1.7064 111.885 42.008 108.497 33.644 3.387268       53.82050 
1 1 1 -7  46 7  o 111.152 31.017 2.9645  1.5155 6.3769  2.7254  1.4370  1.8234 158.005 40.532 88.426  34.214 69.57872       53.04179 
1 1 1 -7  46 8  o 92.016  32.210 1.8757  1.5486 1.5718  2.7630  2.0149  1.8700 99.438  40.865 96.455  35.202 2.983162       53.93642 
1 1 1 -7  46 9  o 120.403 31.695 3.5296  1.6382 3.9529  2.9203  3.3352  1.9790 124.821 44.185 116.134 36.268 8.686760       57.16355 
1 1 1 -7  46 10 o 85.680  30.172 1.6049  1.3600 -1.7212 2.6813  2.7569  1.5780 73.785  34.504 106.606 32.223 -32.82063      47.21041 
1 1 1 -7  46 11 o 69.996  28.575 0.6128  1.3398 3.1456  2.5358  -0.3680 1.5780 113.415 41.054 63.673  28.489 49.74198       49.97031 
1 1 1 -7  46 12 o 183.516 21.332 7.6156  1.6269 11.293  2.8791  5.8907  1.9719 215.750 32.521 155.777 30.981 59.97325       44.91600 
1 1 1 -7  46 13 o 139.656 27.590 4.6477  1.5739 9.0248  3.3162  3.3752  1.7881 182.922 43.453 116.042 34.118 66.88030       55.24722 
1 1 1 -7  46 14 o 115.469 28.923 3.2376  1.4113 6.2525  2.6367  2.0269  1.6708 153.802 40.077 94.034  33.407 59.76854       52.17451 
1 1 1 -7  47 1  o 179.287 27.517 7.4969  2.0225 8.6782  3.3459  6.8167  2.5389 181.078 44.053 164.760 37.260 16.31772       57.69717 
1 1 1 -7  47 2  o 204.342 25.336 9.5737  2.1455 7.4440  3.6215  10.725  2.6632 163.767 48.661 213.063 30.375 -49.29567      57.36319 
1 1 1 -7  47 3  o 190.979 23.907 8.3085  1.8912 10.227  2.9562  6.9796  2.4605 204.275 35.458 167.838 35.715 36.43750       50.32704 
1 1 1 -7  47 4  o 250.941 25.849 14.435  2.7077 0.0000  0.0000  14.435  2.7077 ?       ?      250.941 25.849 0.000000       25.84894 
1 1 1 -7  47 5  o 137.849 39.006 4.8750  2.3794 4.8750  2.3794  0.0000  0.0000 137.849 39.006 ?       ?      0.000000       39.00570 
1 1 1 -7  47 6  o 97.386  35.187 2.1223  1.8616 4.0275  2.7071  0.4131  2.5641 125.140 42.641 86.491  37.589 38.64914       56.84345 
1 1 1 -7  47 7  o 158.161 31.790 6.0726  2.0554 9.0952  2.8120  2.6047  3.0119 191.247 36.041 110.022 43.554 81.22482       56.53253 
1 1 1 -7  47 8  o 49.411  23.594 -1.6192 1.3825 -0.5122 2.5520  -2.0790 1.6447 79.043  35.723 52.628  25.291 26.41576       43.76944 
1 1 1 -7  47 9  o 176.070 23.705 7.1178  1.7227 11.560  2.9706  4.8672  2.1145 217.698 33.279 138.463 35.797 79.23436       48.87656 
1 1 1 -7  47 10 o 98.084  29.906 2.3155  1.3549 2.4068  2.7535  2.2864  1.5564 105.562 41.689 97.830  32.321 7.731964       52.75064 
1 1 1 -7  47 11 o 113.746 30.350 3.1747  1.4891 3.2289  2.8201  3.1538  1.7534 114.267 42.948 112.288 33.972 1.978455       54.75992 
1 1 1 -7  47 12 o 121.436 35.813 3.7680  1.9675 3.4588  2.9413  4.0183  2.6470 116.911 43.877 123.221 42.164 -6.309456      60.85225 
1 1 1 -7  47 13 f 102.978 30.131 2.5881  1.3976 3.8381  2.5818  2.0701  1.6622 120.904 41.630 94.473  33.347 26.43101       53.33934 
1 1 1 -7  48 1  o 68.632  30.745 -0.3720 1.8437 1.2194  3.0962  -1.2464 2.2950 98.084  41.949 70.104  32.490 27.97996       53.05953 
1 1 1 -7  48 2  o 161.299 29.795 6.2443  1.9603 2.4220  3.1545  8.6489  2.5020 108.559 44.024 188.486 32.519 -79.92682      54.73241 
1 1 1 -7  48 3  o 187.218 24.221 8.0598  1.8753 4.1121  2.9407  10.766  2.4346 125.089 44.333 214.475 27.433 -89.38671      52.13438 
1 1 1 -7  48 4  o 210.845 22.567 10.100  1.9838 6.9855  3.2877  11.884  2.4876 158.249 46.188 226.096 26.482 -67.84737      53.24145 
1 1 1 -7  48 5  o 85.635  32.771 1.4479  1.6599 3.2554  2.4889  -0.0001 2.2277 114.120 40.749 77.873  34.401 36.24713       53.32830 
1 1 1 -7  48 6  o 159.571 24.205 5.8920  1.5844 6.9222  2.9363  5.4689  1.8818 160.195 42.559 149.948 30.669 10.24765       52.45794 
1 1 1 -7  48 7  o 127.856 35.747 4.1747  2.0110 6.7472  2.9155  1.8403  2.7774 157.824 42.621 100.035 41.025 57.78912       59.15680 
1 1 1 -7  48 8  o 238.145 24.007 13.015  2.3881 12.654  3.3615  13.383  3.3934 223.988 36.710 231.319 35.796 -7.331711      51.27382 
1 1 1 -7  48 9  o 99.255  36.182 2.2913  1.9747 1.9821  2.9032  2.5575  2.6939 101.961 41.894 106.237 41.452 -4.275673      58.93505 
1 1 1 -7  48 10 o 108.105 33.131 2.9099  1.6602 1.6268  2.7998  3.6057  2.0619 97.854  40.758 118.342 37.030 -20.48711      55.06779 
1 1 1 -7  48 11 o 122.201 28.745 3.6318  1.4627 7.6389  2.7568  2.0618  1.7256 170.791 38.975 94.537  33.911 76.25475       51.66299 
1 1 1 -7  49 1  o 207.658 25.819 10.033  2.2216 6.5945  3.7345  11.916  2.7638 149.691 50.087 223.196 29.999 -73.50475      58.38398 
1 1 1 -7  49 2  o 170.548 27.729 6.8986  1.9339 7.4261  2.9122  6.4823  2.5866 166.609 41.445 157.260 39.024 9.349228       56.92592 
1 1 1 -7  49 3  o 244.250 20.324 13.398  2.0832 13.659  3.2697  13.219  2.7028 235.554 33.741 237.256 27.404 -1.702148      43.46760 
1 1 1 -7  49 4  o 254.167 19.715 14.459  2.1055 14.687  3.6347  14.343  2.5830 241.276 36.732 249.331 24.791 -8.054611      44.31487 
1 1 1 -7  49 5  o 102.275 34.190 2.5571  1.7401 2.5530  2.3772  2.5618  2.5540 104.468 39.398 105.438 40.577 -0.9702835     56.55706 
1 1 1 -7  49 6  o 120.415 31.927 3.6166  1.6546 5.6075  3.7768  3.1437  1.8406 138.419 50.102 111.581 34.999 26.83783       61.11567 
1 1 1 -7  49 7  o 75.380  29.648 0.9814  1.3873 -0.5567 3.3938  1.2900  1.5201 88.268  40.397 81.463  31.316 6.804619       51.11361 
1 1 1 -7  49 8  o 84.748  32.375 1.4507  1.6184 -4.0186 3.6477  2.7912  1.8058 75.743  36.708 105.867 34.807 -30.12440      50.58640 
1 1 1 -6  0  1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  0  2  o 197.163 23.039 8.5921  1.8551 8.2490  2.6040  8.9458  2.6434 186.629 37.095 196.075 35.212 0.000000       0.000000 
1 1 1 -6  0  3  o 756.460 22.450 121.923 7.1776 116.325 10.068  127.707 10.235 736.318 32.432 771.997 31.424 0.000000       0.000000 
1 1 1 -6  0  4  o 127.423 40.426 4.3657  1.9196 0.0000  0.0000  4.3657  1.9196 127.423 40.426 127.423 40.426 0.000000       0.000000 
1 1 1 -6  0  5  o 367.513 29.709 29.340  4.5543 29.340  4.5543  0.0000  0.0000 367.513 29.709 367.513 29.709 0.000000       0.000000 
1 1 1 -6  0  6  o 315.572 29.289 21.764  3.8368 21.764  3.8368  0.0000  0.0000 315.572 29.289 315.572 29.289 0.000000       0.000000 
1 1 1 -6  0  7  o 306.454 20.616 20.224  2.6478 21.827  3.6365  18.416  3.8628 316.527 27.612 288.280 32.729 0.000000       0.000000 
1 1 1 -6  0  8  o 662.964 27.706 94.185  7.7480 94.185  7.7480  0.0000  0.0000 662.964 27.706 662.964 27.706 0.000000       0.000000 
1 1 1 -6  0  9  o 839.879 20.733 150.224 7.3640 155.480 9.6839  143.017 11.340 852.833 26.873 815.843 32.943 0.000000       0.000000 
1 1 1 -6  0  10 o 218.711 17.543 10.351  1.6008 11.297  1.9920  8.6267  2.6897 227.651 21.078 190.921 37.356 0.000000       0.000000 
1 1 1 -6  0  11 o 257.327 15.545 14.203  1.6799 15.276  2.0073  11.695  3.0687 266.427 17.979 226.650 34.294 0.000000       0.000000 
1 1 1 -6  0  12 o 372.588 26.061 29.975  4.0659 0.0000  0.0000  29.975  4.0659 372.588 26.061 372.588 26.061 0.000000       0.000000 
1 1 1 -6  0  13 o 410.284 23.278 36.111  4.0148 0.0000  0.0000  36.111  4.0148 410.284 23.278 410.284 23.278 0.000000       0.000000 
1 1 1 -6  0  14 o 321.039 18.753 22.087  2.5296 0.0000  0.0000  22.087  2.5296 321.039 18.753 321.039 18.753 0.000000       0.000000 
1 1 1 -6  0  15 o 534.677 16.801 60.788  3.7958 0.0000  0.0000  60.788  3.7958 534.677 16.801 534.677 16.801 0.000000       0.000000 
1 1 1 -6  0  16 o 708.793 18.981 106.754 5.6883 0.0000  0.0000  106.754 5.6883 708.793 18.981 708.793 18.981 0.000000       0.000000 
1 1 1 -6  0  17 o 72.676  35.175 1.6511  1.2624 0.0000  0.0000  1.6511  1.2624 72.676  35.175 72.676  35.175 0.000000       0.000000 
1 1 1 -6  0  18 o 216.564 33.546 10.657  2.8568 0.0000  0.0000  10.657  2.8568 216.564 33.546 216.564 33.546 0.000000       0.000000 
1 1 1 -6  0  19 o 632.434 31.143 85.651  8.2948 0.0000  0.0000  85.651  8.2948 632.434 31.143 632.434 31.143 0.000000       0.000000 
1 1 1 -6  0  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  0  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  0  22 o 496.864 31.298 53.184  6.5256 0.0000  0.0000  53.184  6.5256 496.864 31.298 496.864 31.298 0.000000       0.000000 
1 1 1 -6  0  23 o 703.870 32.263 106.227 9.5710 0.0000  0.0000  106.227 9.5710 703.870 32.263 703.870 32.263 0.000000       0.000000 
1 1 1 -6  0  24 o 38.549  25.718 -0.3782 1.1446 0.0000  0.0000  -0.3782 1.1446 38.549  25.718 38.549  25.718 0.000000       0.000000 
1 1 1 -6  0  25 f 766.028 32.879 126.148 10.622 0.0000  0.0000  126.148 10.622 766.028 32.879 766.028 32.879 0.000000       0.000000 
1 1 1 -6  0  26 f 425.636 32.837 39.495  5.8379 0.0000  0.0000  39.495  5.8379 425.636 32.837 425.636 32.837 0.000000       0.000000 
1 1 1 -6  0  27 o 259.608 37.289 15.360  3.8542 0.0000  0.0000  15.360  3.8542 259.608 37.289 259.608 37.289 0.000000       0.000000 
1 1 1 -6  0  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  0  29 o 122.430 49.552 4.5619  2.5127 0.0000  0.0000  4.5619  2.5127 122.430 49.552 122.430 49.552 0.000000       0.000000 
1 1 1 -6  0  30 o 351.108 34.653 27.538  5.0373 0.0000  0.0000  27.538  5.0373 351.108 34.653 351.108 34.653 0.000000       0.000000 
1 1 1 -6  0  31 o 539.304 33.722 64.132  7.6328 0.0000  0.0000  64.132  7.6328 539.304 33.722 539.304 33.722 0.000000       0.000000 
1 1 1 -6  0  32 o 145.492 49.614 6.0856  2.7426 0.0000  0.0000  6.0856  2.7426 145.492 49.614 145.492 49.614 0.000000       0.000000 
1 1 1 -6  1  1  o 339.141 31.312 24.904  4.4463 0.0000  0.0000  24.904  4.4463 ?       ?      339.141 31.312 0.000000       31.31187 
1 1 1 -6  1  2  o 509.850 15.191 55.225  3.2801 53.254  4.6060  57.254  4.6721 499.796 21.762 518.306 21.285 -18.50934      30.44075 
1 1 1 -6  1  3  o 133.614 16.559 3.8525  0.9169 3.7615  1.2878  3.9461  1.3059 130.707 24.154 134.002 23.888 -3.294266      33.97121 
1 1 1 -6  1  4  o 501.662 21.456 53.646  4.5582 59.893  6.4387  47.370  6.4540 527.874 28.912 468.244 32.753 59.63062       43.68851 
1 1 1 -6  1  5  o 361.671 21.102 27.976  3.2181 0.0000  0.0000  27.976  3.2181 ?       ?      361.671 21.102 0.000000       21.10226 
1 1 1 -6  1  6  o 606.945 17.190 78.367  4.4183 79.484  5.3989  76.101  7.6883 610.583 20.879 594.352 30.649 16.23169       37.08556 
1 1 1 -6  1  7  o 477.838 14.352 48.516  2.9042 46.778  4.0375  50.380  4.1806 468.377 20.355 486.084 20.309 -17.70734      28.75356 
1 1 1 -6  1  8  o 409.386 13.875 35.610  2.4055 35.651  3.3259  35.564  3.4832 408.984 19.203 408.353 20.142 0.6308289      27.82870 
1 1 1 -6  1  9  o 466.645 13.396 46.261  2.6473 45.347  3.6864  47.234  3.8040 461.267 18.872 470.736 19.082 -9.468719      26.83772 
1 1 1 -6  1  10 o 606.935 12.828 78.237  3.2972 79.509  4.5492  76.830  4.7858 611.036 17.580 600.407 18.822 10.62927       25.75496 
1 1 1 -6  1  11 o 183.600 15.012 7.2129  1.1570 7.1754  1.4221  7.2862  1.9897 182.601 18.653 182.564 26.510 0.3749084E-01  32.41439 
1 1 1 -6  1  12 o 357.719 15.611 27.197  2.3650 26.898  3.1454  27.586  3.5871 354.595 21.040 358.623 23.753 -4.028015      31.73180 
1 1 1 -6  1  13 o 900.409 24.936 173.063 9.5083 0.0000  0.0000  173.063 9.5083 ?       ?      900.409 24.936 0.000000       24.93569 
1 1 1 -6  1  14 o 304.871 18.644 19.827  2.3956 0.0000  0.0000  19.827  2.3956 ?       ?      304.871 18.644 0.000000       18.64434 
1 1 1 -6  1  15 o 818.956 15.866 142.331 5.5027 133.459 7.7931  151.153 7.7710 792.015 23.234 843.131 21.764 -51.11652      31.83563 
1 1 1 -6  1  16 o 709.949 14.919 106.909 4.4856 102.919 5.8654  112.530 6.9618 696.111 19.897 727.568 22.595 -31.45654      30.10636 
1 1 1 -6  1  17 o 398.597 15.422 33.701  2.6033 38.319  4.9997  31.983  3.0492 423.265 28.051 388.155 18.550 35.11035       33.62991 
1 1 1 -6  1  18 f 688.030 21.867 100.607 6.3716 107.716 9.1057  93.787  8.9188 710.731 30.253 662.948 31.768 47.78253       43.86813 
1 1 1 -6  1  19 o 455.328 21.262 44.068  4.0999 49.612  5.8530  38.727  5.7448 481.507 28.836 424.616 32.187 56.89178       43.21468 
1 1 1 -6  1  20 o 374.021 30.806 30.087  4.8362 30.087  4.8362  0.0000  0.0000 374.021 30.806 ?       ?      0.000000       30.80642 
1 1 1 -6  1  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  1  22 f 816.136 22.941 141.894 7.9289 147.914 11.260  135.974 11.167 830.902 32.000 796.333 33.112 34.56836       46.04809 
1 1 1 -6  1  23 o 549.649 22.041 64.352  5.1306 64.720  7.2810  63.988  7.2308 548.672 31.467 545.560 31.430 3.112549       44.47467 
1 1 1 -6  1  24 o 650.284 22.446 90.187  6.1814 96.295  8.7687  84.152  8.7151 669.798 30.913 624.709 33.060 45.08875       45.26134 
1 1 1 -6  1  25 o 203.986 23.601 9.0151  2.0012 8.4629  2.8413  9.5586  2.8189 194.789 35.762 207.982 33.115 -13.19368      48.73949 
1 1 1 -6  1  26 o 444.652 22.611 42.453  4.2438 44.514  6.0138  40.409  5.9897 452.416 31.586 430.380 33.118 22.03613       45.76528 
1 1 1 -6  1  27 o 254.924 24.200 14.093  2.5813 14.732  3.6332  13.441  3.6680 257.806 34.116 245.313 36.412 12.49364       49.89697 
1 1 1 -6  1  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  1  29 o 280.773 24.010 17.187  2.8274 15.625  3.9052  18.907  4.0991 262.964 36.013 290.604 33.947 -27.64011      49.49117 
1 1 1 -6  1  30 o 422.920 23.167 38.903  4.1335 32.698  5.7163  45.704  5.9842 380.597 35.889 453.642 31.341 -73.04422      47.64783 
1 1 1 -6  1  31 o 333.481 24.304 24.403  3.4087 17.791  4.6359  32.186  5.0295 275.649 40.958 378.811 31.641 -103.1618      51.75640 
1 1 1 -6  1  32 o 548.060 23.458 65.789  5.4444 62.030  7.6223  69.705  7.7793 521.048 34.742 554.068 33.309 -33.01978      48.13013 
1 1 1 -6  2  1  o 605.715 31.450 79.026  8.0397 0.0000  0.0000  79.026  8.0397 ?       ?      605.715 31.450 0.000000       31.45041 
1 1 1 -6  2  2  o 671.992 15.527 95.953  4.4187 98.940  6.2134  92.897  6.2853 681.274 21.536 659.940 22.489 21.33417       31.13799 
1 1 1 -6  2  3  o 1229.94 17.649 321.763 9.1927 329.606 12.928  313.743 13.074 1242.22 24.575 1211.56 25.481 30.65564       35.40098 
1 1 1 -6  2  4  o 565.414 17.340 67.993  4.1521 69.152  5.0566  65.593  7.2750 569.636 20.961 551.774 31.262 17.86176       37.63895 
1 1 1 -6  2  5  o 382.668 21.063 31.308  3.4003 0.0000  0.0000  31.308  3.4003 ?       ?      382.668 21.063 0.000000       21.06306 
1 1 1 -6  2  6  o 424.444 16.514 38.312  2.9684 37.809  3.5818  39.416  5.3044 421.213 20.080 427.522 29.478 -6.309631      35.66692 
1 1 1 -6  2  7  o 361.837 14.006 27.816  2.1462 28.094  2.9499  27.504  3.1282 362.595 19.280 358.506 20.692 4.088562       28.28230 
1 1 1 -6  2  8  f 290.085 13.590 17.877  1.6695 17.244  2.2729  18.619  2.4603 283.827 19.020 294.848 19.819 -11.02045      27.46890 
1 1 1 -6  2  9  o 616.673 13.776 80.805  3.5977 79.323  4.9195  82.509  5.2751 610.026 19.043 621.938 20.028 -11.91229      27.63596 
1 1 1 -6  2  10 o 365.291 13.106 28.344  2.0274 28.233  3.0449  28.432  2.7173 363.304 19.866 365.404 17.560 -2.099792      26.51440 
1 1 1 -6  2  11 o 514.727 15.309 56.327  3.3371 55.867  4.2459  57.072  5.3973 511.963 19.584 516.456 24.678 -4.493408      31.50390 
1 1 1 -6  2  12 f 443.057 15.246 41.713  2.8605 40.236  3.7892  43.670  4.3617 434.508 20.592 451.771 22.873 -17.26257      30.77662 
1 1 1 -6  2  13 o 467.624 20.540 46.555  4.0677 0.0000  0.0000  46.555  4.0677 ?       ?      467.624 20.540 0.000000       20.54043 
1 1 1 -6  2  14 o 258.044 18.748 14.226  2.0348 0.0000  0.0000  14.226  2.0348 ?       ?      258.044 18.748 0.000000       18.74823 
1 1 1 -6  2  15 o 434.250 19.371 40.061  3.5624 0.0000  0.0000  40.061  3.5624 ?       ?      434.250 19.371 0.000000       19.37111 
1 1 1 -6  2  16 o 735.318 22.629 114.940 7.0468 0.0000  0.0000  114.940 7.0468 ?       ?      735.318 22.629 0.000000       22.62947 
1 1 1 -6  2  17 o 629.655 18.504 84.161  4.9340 86.275  8.1143  82.921  6.2151 636.198 30.117 624.518 23.499 11.67969       38.20033 
1 1 1 -6  2  18 o 911.672 32.656 177.445 12.608 177.445 12.608  0.0000  0.0000 911.672 32.656 ?       ?      0.000000       32.65624 
1 1 1 -6  2  19 o 458.892 30.409 45.133  5.8760 45.133  5.8760  0.0000  0.0000 458.892 30.409 ?       ?      0.000000       30.40866 
1 1 1 -6  2  20 o 484.383 30.682 50.326  6.2613 50.326  6.2613  0.0000  0.0000 484.383 30.682 ?       ?      0.000000       30.68175 
1 1 1 -6  2  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  2  22 o 809.296 22.798 139.517 7.8134 149.040 11.095  130.148 11.005 834.229 31.405 779.000 33.359 55.22882       45.81605 
1 1 1 -6  2  23 o 562.909 22.035 67.495  5.2529 69.276  7.4318  65.717  7.4256 567.821 31.023 552.779 31.855 15.04114       44.46568 
1 1 1 -6  2  24 o 396.911 22.060 33.693  3.6934 35.918  5.2081  31.442  5.2385 408.081 30.353 381.065 32.780 27.01572       44.67504 
1 1 1 -6  2  25 o 950.680 23.872 193.374 9.6109 194.476 13.607  192.277 13.576 948.423 33.879 942.980 33.997 5.442932       47.99563 
1 1 1 -6  2  26 o 702.053 22.891 105.604 6.8059 109.346 9.6312  101.871 9.6187 710.411 32.013 685.139 33.151 25.27246       46.08484 
1 1 1 -6  2  27 o 279.226 34.907 17.278  4.0376 0.0000  0.0000  17.278  4.0376 ?       ?      279.226 34.907 0.000000       34.90729 
1 1 1 -6  2  28 o 149.438 36.604 5.1114  2.2981 5.1114  2.2981  0.0000  0.0000 149.438 36.604 ?       ?      0.000000       36.60382 
1 1 1 -6  2  29 o 560.291 22.929 67.855  5.4405 64.151  7.5917  71.766  7.8007 537.704 33.506 569.601 32.473 -31.89618      46.65964 
1 1 1 -6  2  30 o 297.624 23.562 19.341  2.9455 20.266  4.0664  18.319  4.2725 300.758 32.440 283.816 36.384 16.94168       48.74594 
1 1 1 -6  2  31 o 299.134 36.209 20.499  4.4935 0.0000  0.0000  20.499  4.4935 ?       ?      299.134 36.209 0.000000       36.20860 
1 1 1 -6  2  32 o 124.349 31.362 3.6037  1.6513 4.4229  2.1627  2.4583  2.5573 136.460 36.648 110.583 41.028 25.87740       55.01237 
1 1 1 -6  3  1  o 380.121 21.446 30.903  3.4383 0.0000  0.0000  30.903  3.4383 ?       ?      380.121 21.446 0.000000       21.44617 
1 1 1 -6  3  2  o 419.470 17.104 37.418  3.0385 36.985  3.6971  38.320  5.3333 416.052 21.052 421.578 30.070 -5.526123      36.70647 
1 1 1 -6  3  3  o 131.620 16.378 3.7390  0.8931 3.5061  1.2401  3.9900  1.2875 126.081 24.103 134.835 23.395 -8.754539      33.59031 
1 1 1 -6  3  4  o 391.611 16.738 32.609  2.7760 33.685  3.3802  30.380  4.8651 397.145 20.164 374.891 30.920 22.25378       36.91393 
1 1 1 -6  3  5  o 396.961 20.879 33.682  3.4976 0.0000  0.0000  33.682  3.4976 ?       ?      396.961 20.879 0.000000       20.87859 
1 1 1 -6  3  6  o 142.397 14.795 4.3548  0.8792 4.5009  1.2068  4.1896  1.2834 143.915 20.369 138.323 22.697 5.591446       30.49649 
1 1 1 -6  3  7  f 356.915 18.975 27.218  2.8578 26.533  3.7315  28.191  4.4445 351.160 25.261 361.041 29.322 -9.880432      38.70231 
1 1 1 -6  3  8  o 622.818 15.980 82.514  4.2148 83.835  6.6391  81.621  5.4552 625.705 25.055 618.454 20.828 7.251099       32.58179 
1 1 1 -6  3  9  o 176.408 14.983 6.6639  1.1088 7.9075  1.6924  5.7289  1.4676 191.301 21.250 162.340 21.906 28.96155       30.51910 
1 1 1 -6  3  10 o 428.277 13.383 38.966  2.4273 39.626  3.5576  38.390  3.3201 431.106 19.486 424.478 18.469 6.628204       26.84811 
1 1 1 -6  3  11 o 383.583 14.716 31.271  2.3905 31.109  3.0534  31.528  3.8425 382.133 18.868 383.295 23.790 -1.162415      30.36363 
1 1 1 -6  3  12 o 404.734 14.717 34.799  2.5225 33.528  3.3749  36.408  3.7971 396.205 20.181 412.618 21.807 -16.41299      29.71250 
1 1 1 -6  3  13 o 385.022 19.920 31.631  3.2369 0.0000  0.0000  31.631  3.2369 ?       ?      385.022 19.920 0.000000       19.92025 
1 1 1 -6  3  14 f 293.150 18.823 18.338  2.3244 0.0000  0.0000  18.338  2.3244 ?       ?      293.150 18.823 0.000000       18.82281 
1 1 1 -6  3  15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  3  16 o 348.154 20.069 25.830  2.9465 0.0000  0.0000  25.830  2.9465 ?       ?      348.154 20.069 0.000000       20.06923 
1 1 1 -6  3  17 o 1014.03 32.476 219.423 13.946 219.423 13.946  0.0000  0.0000 1014.03 32.476 ?       ?      0.000000       32.47608 
1 1 1 -6  3  18 o 1669.55 39.715 597.474 28.080 597.474 28.080  0.0000  0.0000 1669.55 39.715 ?       ?      0.000000       39.71517 
1 1 1 -6  3  19 o 441.021 29.759 41.682  5.5255 41.682  5.5255  0.0000  0.0000 441.021 29.759 ?       ?      0.000000       29.75863 
1 1 1 -6  3  20 o 764.939 31.440 125.084 10.185 125.084 10.185  0.0000  0.0000 764.939 31.440 ?       ?      0.000000       31.44042 
1 1 1 -6  3  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  3  22 o 206.720 22.756 9.2110  1.9592 7.0684  2.7400  11.452  2.8024 178.020 37.527 229.578 29.507 -51.55836      47.73817 
1 1 1 -6  3  23 o 564.295 21.779 67.821  5.2046 82.169  7.3937  53.729  7.3276 619.909 28.164 498.818 34.908 121.0913       44.85233 
1 1 1 -6  3  24 o 319.828 22.028 21.913  2.9653 21.842  4.1538  21.988  4.2345 317.441 31.306 318.389 31.832 -0.9476624     44.64685 
1 1 1 -6  3  25 o 281.109 22.324 16.990  2.6357 20.730  3.7196  13.219  3.7354 309.262 28.729 244.153 37.312 65.10858       47.09066 
1 1 1 -6  3  26 o 530.953 22.376 60.376  5.0313 63.426  7.0881  57.278  7.1430 540.531 31.096 512.750 33.071 27.78052       45.39448 
1 1 1 -6  3  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  3  28 o 463.035 22.471 46.116  4.4063 54.736  6.1876  37.246  6.2762 500.960 29.294 409.502 36.576 91.45801       46.86041 
1 1 1 -6  3  29 o 397.594 33.288 35.162  5.5533 0.0000  0.0000  35.162  5.5533 ?       ?      397.594 33.288 0.000000       33.28757 
1 1 1 -6  3  30 o 296.249 23.689 19.172  2.9472 21.446  4.0493  16.610  4.2977 310.031 31.268 268.748 38.892 41.28253       49.90264 
1 1 1 -6  3  31 o 193.612 41.181 8.9233  3.2727 0.0000  0.0000  8.9233  3.2727 ?       ?      193.612 41.181 0.000000       41.18059 
1 1 1 -6  3  32 o 425.697 23.314 39.789  4.1870 38.911  5.7807  40.758  6.0729 413.442 33.298 422.345 34.248 -8.902588      47.76722 
1 1 1 -6  4  1  o 359.994 17.146 27.565  2.6140 27.061  4.4518  27.831  3.2293 353.831 29.992 360.678 21.236 -6.847717      36.74886 
1 1 1 -6  4  2  o 618.095 17.486 81.269  4.5770 79.988  5.5697  83.933  8.0323 612.489 21.473 625.265 30.334 -12.77527      37.16511 
1 1 1 -6  4  3  o 232.701 14.858 11.550  1.4566 11.211  2.0292  11.911  2.0921 228.359 21.225 235.446 21.210 -7.087173      30.00614 
1 1 1 -6  4  4  o 631.629 20.622 85.026  5.5161 84.517  7.6045  85.591  8.0133 627.866 28.600 631.462 29.965 -3.595947      41.42311 
1 1 1 -6  4  5  o 253.127 16.249 13.679  1.7326 13.503  2.8070  13.788  2.2022 249.694 26.974 253.492 20.694 -3.798141      33.99780 
1 1 1 -6  4  6  o 695.560 21.326 103.218 6.2819 0.0000  0.0000  103.218 6.2819 ?       ?      695.560 21.326 0.000000       21.32600 
1 1 1 -6  4  7  o 426.294 18.830 38.721  3.3994 38.570  4.4279  38.938  5.3049 423.796 24.780 424.534 29.694 -0.7379456     38.67485 
1 1 1 -6  4  8  o 517.190 18.859 57.004  4.1305 61.160  5.3188  50.689  6.5562 534.770 23.486 483.743 32.187 51.02661       39.84433 
1 1 1 -6  4  9  o 531.481 16.772 60.126  3.7751 62.584  4.9787  56.801  5.7904 541.282 21.719 513.861 26.700 27.42181       34.41860 
1 1 1 -6  4  10 o 449.884 15.182 43.035  2.8926 40.949  3.7104  46.268  4.6186 438.176 19.995 464.538 23.554 -26.36249      30.89680 
1 1 1 -6  4  11 o 427.311 14.745 38.807  2.6682 37.317  3.4453  41.039  4.2176 418.460 19.442 437.723 22.831 -19.26361      29.98761 
1 1 1 -6  4  12 o 328.848 14.212 22.967  1.9792 22.311  2.6770  23.758  2.9393 323.092 19.658 333.238 20.934 -10.14642      28.71746 
1 1 1 -6  4  13 f 339.131 14.477 24.416  2.0792 26.496  3.1461  22.803  2.7705 352.130 21.196 326.735 20.120 25.39545       29.22482 
1 1 1 -6  4  14 o 622.469 20.492 82.397  5.4018 0.0000  0.0000  82.397  5.4018 ?       ?      622.469 20.492 0.000000       20.49163 
1 1 1 -6  4  15 o 785.921 22.336 131.349 7.4340 0.0000  0.0000  131.349 7.4340 ?       ?      785.921 22.336 0.000000       22.33576 
1 1 1 -6  4  16 o 539.216 25.599 61.873  5.8455 61.873  5.8455  0.0000  0.0000 539.216 25.599 ?       ?      0.000000       25.59870 
1 1 1 -6  4  17 o 1371.21 34.482 401.651 20.024 401.651 20.024  0.0000  0.0000 1371.21 34.482 ?       ?      0.000000       34.48217 
1 1 1 -6  4  18 o 298.904 18.005 19.035  2.2684 19.708  3.5508  18.570  2.9486 302.882 28.000 294.532 23.844 8.350433       36.77650 
1 1 1 -6  4  19 o 574.324 19.362 70.071  4.7091 69.148  7.1498  70.777  6.2583 568.512 29.801 576.511 25.633 -7.999695      39.30838 
1 1 1 -6  4  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  4  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  4  22 f 735.183 22.130 115.101 6.8901 125.333 9.7058  104.706 9.7827 765.363 29.945 698.763 33.059 66.59991       44.60461 
1 1 1 -6  4  23 o 328.641 21.496 23.098  2.9752 24.994  4.1708  21.133  4.2454 340.549 29.202 312.231 32.587 28.31836       43.75729 
1 1 1 -6  4  24 f 444.363 21.483 42.096  4.0427 49.326  5.7136  34.848  5.7209 479.014 28.291 400.892 34.019 78.12250       44.24516 
1 1 1 -6  4  25 o 306.465 22.229 20.175  2.8654 24.481  4.0696  15.941  4.0353 336.216 28.862 268.792 36.385 67.42462       46.44204 
1 1 1 -6  4  26 f 385.560 22.471 31.949  3.6532 33.137  5.1175  30.715  5.2168 390.049 31.243 374.753 33.215 15.29523       45.60038 
1 1 1 -6  4  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  4  28 o 256.310 23.425 14.264  2.5146 16.633  3.4200  11.475  3.7100 274.943 29.852 224.048 40.596 50.89418       50.39047 
1 1 1 -6  4  29 o 118.614 39.654 3.0547  2.3407 0.0000  0.0000  3.0547  2.3407 ?       ?      118.614 39.654 0.000000       39.65438 
1 1 1 -6  4  30 o 326.712 23.132 23.265  3.1799 21.334  4.3646  25.451  4.6423 307.724 34.063 337.004 32.949 -29.27899      47.39130 
1 1 1 -6  4  31 o 397.953 34.430 35.909  5.7454 0.0000  0.0000  35.909  5.7454 ?       ?      397.953 34.430 0.000000       34.43045 
1 1 1 -6  4  32 o 421.666 23.235 39.039  4.1331 39.757  5.6633  38.221  6.0455 418.821 32.176 407.876 35.349 10.94489       47.79980 
1 1 1 -6  5  1  o 406.293 16.966 35.114  2.9192 32.112  4.9425  36.721  3.6177 385.431 30.530 415.046 20.582 -29.61441      36.81984 
1 1 1 -6  5  2  o 298.627 20.557 19.095  2.5839 19.701  3.5652  18.426  3.7501 301.891 28.213 291.277 30.872 10.61362       41.82154 
1 1 1 -6  5  3  o 159.402 17.593 5.4710  1.1679 5.1138  1.9174  5.6816  1.4725 151.623 30.909 161.734 22.075 -10.11069      37.98305 
1 1 1 -6  5  4  o 426.159 19.500 38.686  3.5193 36.031  4.7999  41.772  5.1752 409.095 27.872 440.616 27.879 -31.52158      39.42129 
1 1 1 -6  5  5  o 524.308 16.224 58.458  3.6025 62.837  5.8547  55.790  4.5700 541.889 25.512 511.449 21.099 30.44052       33.10681 
1 1 1 -6  5  6  o 274.123 19.898 16.102  2.2942 0.0000  0.0000  16.102  2.2942 ?       ?      274.123 19.898 0.000000       19.89838 
1 1 1 -6  5  7  o 483.975 19.631 49.939  4.0235 0.0000  0.0000  49.939  4.0235 ?       ?      483.975 19.631 0.000000       19.63059 
1 1 1 -6  5  8  o 513.563 18.332 56.191  3.9870 54.896  5.1144  58.197  6.3659 506.542 23.842 519.484 29.053 -12.94202      37.58295 
1 1 1 -6  5  9  o 510.670 17.148 55.525  3.7085 54.615  4.5806  57.256  6.3179 505.697 21.389 515.138 29.079 -9.440979      36.09837 
1 1 1 -6  5  10 o 154.066 11.818 5.0680  0.7652 5.3969  1.3345  4.9070  0.9340 157.771 20.455 151.222 14.772 6.549591       25.23168 
1 1 1 -6  5  11 o 357.392 14.570 27.142  2.2052 28.626  2.8741  25.017  3.4385 366.166 18.596 341.282 23.942 24.88431       30.31571 
1 1 1 -6  5  12 o 447.670 14.316 42.561  2.7141 40.968  3.6934  44.432  4.0017 438.608 19.884 456.668 20.692 -18.05981      28.69717 
1 1 1 -6  5  13 o 407.616 14.462 35.271  2.4964 36.295  3.7066  34.420  3.3772 412.348 21.299 402.225 19.827 10.12234       29.09862 
1 1 1 -6  5  14 o 863.985 22.799 158.882 8.3419 0.0000  0.0000  158.882 8.3419 ?       ?      863.985 22.799 0.000000       22.79892 
1 1 1 -6  5  15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  5  16 o 819.247 26.356 142.866 9.1440 142.866 9.1440  0.0000  0.0000 819.247 26.356 ?       ?      0.000000       26.35598 
1 1 1 -6  5  17 o 564.187 16.809 67.543  4.0162 64.310  6.1869  69.897  5.2799 549.650 26.579 573.529 21.738 -23.87964      34.33669 
1 1 1 -6  5  18 o 1867.91 27.439 743.223 21.705 733.332 31.885  751.764 29.630 1848.84 40.724 1873.87 37.338 -25.03552      55.24960 
1 1 1 -6  5  19 o 905.967 20.097 174.412 7.7106 189.608 11.629  162.492 10.300 942.775 29.127 873.036 27.860 69.73865       40.30573 
1 1 1 -6  5  20 o 873.067 28.226 162.678 10.436 0.0000  0.0000  162.678 10.436 ?       ?      873.067 28.226 0.000000       28.22590 
1 1 1 -6  5  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  5  22 o 605.499 30.195 78.462  7.7426 78.462  7.7426  0.0000  0.0000 605.499 30.195 ?       ?      0.000000       30.19463 
1 1 1 -6  5  23 o 456.636 30.070 44.842  5.7825 44.842  5.7825  0.0000  0.0000 456.636 30.070 ?       ?      0.000000       30.07050 
1 1 1 -6  5  24 o 374.795 21.459 30.047  3.3918 32.434  4.7341  27.529  4.8619 387.867 29.031 356.305 32.582 31.56253       43.63944 
1 1 1 -6  5  25 o 484.875 21.847 50.238  4.4860 49.859  6.2611  50.638  6.4307 479.909 30.972 483.450 31.583 -3.540405      44.23542 
1 1 1 -6  5  26 o 211.695 34.414 9.9808  2.9793 9.9808  2.9793  0.0000  0.0000 211.695 34.414 ?       ?      0.000000       34.41422 
1 1 1 -6  5  27 o 395.358 22.409 33.653  3.7365 40.115  5.2292  26.912  5.3411 429.486 28.919 348.433 36.751 81.05289       46.76451 
1 1 1 -6  5  28 o 277.062 23.309 16.649  2.7095 20.378  3.7806  12.710  3.8850 304.618 29.684 236.105 40.301 68.51280       50.05328 
1 1 1 -6  5  29 o 288.555 35.271 18.757  4.2204 0.0000  0.0000  18.757  4.2204 ?       ?      288.555 35.271 0.000000       35.27108 
1 1 1 -6  5  30 o 574.866 22.786 71.664  5.5473 76.962  7.7476  66.090  7.9463 589.018 31.170 542.729 34.756 46.28870       46.68569 
1 1 1 -6  5  31 o 315.170 23.427 21.779  3.1045 24.052  4.2902  19.280  4.4979 326.998 31.366 288.787 37.675 38.21106       49.02269 
1 1 1 -6  5  32 o 113.006 31.650 2.9647  1.5750 2.9648  2.0875  2.9645  2.3997 114.150 37.418 115.680 40.118 -1.530457      54.85902 
1 1 1 -6  6  1  o 310.942 16.810 20.627  2.2054 21.182  3.7179  20.326  2.7393 312.978 28.359 307.987 21.130 4.991058       35.36499 
1 1 1 -6  6  2  o 618.857 30.304 82.300  7.9421 0.0000  0.0000  82.300  7.9421 ?       ?      618.857 30.304 0.000000       30.30413 
1 1 1 -6  6  3  o 132.792 17.927 3.8202  0.9824 2.9832  1.5686  4.3604  1.2601 115.840 31.253 141.359 21.746 -25.51871      38.07418 
1 1 1 -6  6  4  o 478.998 16.118 48.789  3.2696 46.270  5.3292  50.310  4.1404 463.872 27.248 485.832 20.124 -21.96051      33.87344 
1 1 1 -6  6  5  o 277.559 18.629 16.481  2.1770 17.468  2.9655  15.327  3.2061 284.688 24.846 265.656 28.968 19.03198       38.16378 
1 1 1 -6  6  6  o 620.282 15.848 81.832  4.1630 79.339  6.7241  83.381  5.3011 608.456 26.095 625.302 20.019 -16.84534      32.88932 
1 1 1 -6  6  7  o 586.424 19.813 73.334  4.9206 0.0000  0.0000  73.334  4.9206 ?       ?      586.424 19.813 0.000000       19.81342 
1 1 1 -6  6  8  o 341.690 24.855 25.132  3.5719 0.0000  0.0000  25.132  3.5719 ?       ?      341.690 24.855 0.000000       24.85468 
1 1 1 -6  6  9  o 333.074 20.516 23.763  2.8797 23.763  2.8797  0.0000  0.0000 333.074 20.516 ?       ?      0.000000       20.51559 
1 1 1 -6  6  10 o 289.991 13.749 17.866  1.6885 16.667  2.3269  19.199  2.4539 278.905 19.829 299.499 19.453 -20.59482      27.77786 
1 1 1 -6  6  11 o 937.570 16.554 186.957 6.5729 197.685 9.3608  176.523 9.2317 962.131 22.974 908.830 23.986 53.30090       33.21318 
1 1 1 -6  6  12 o 623.746 20.661 82.877  5.4575 82.877  5.4575  0.0000  0.0000 623.746 20.661 ?       ?      0.000000       20.66067 
1 1 1 -6  6  13 o 447.143 21.118 42.556  3.9989 42.556  3.9989  0.0000  0.0000 447.143 21.118 ?       ?      0.000000       21.11784 
1 1 1 -6  6  14 o 896.256 26.422 171.242 10.028 171.242 10.028  0.0000  0.0000 896.256 26.422 ?       ?      0.000000       26.42166 
1 1 1 -6  6  15 o 314.501 18.683 21.078  2.4772 21.078  2.4772  0.0000  0.0000 314.501 18.683 ?       ?      0.000000       18.68337 
1 1 1 -6  6  16 o 854.367 15.038 154.826 5.4409 163.553 9.2660  150.234 6.7217 876.800 24.954 841.189 18.869 35.61163       31.28497 
1 1 1 -6  6  17 o 757.096 15.211 121.584 4.8771 113.616 8.5174  125.470 5.9489 730.420 27.535 768.805 18.272 -38.38513      33.04614 
1 1 1 -6  6  18 o 429.616 17.004 39.173  3.0936 36.883  4.6159  41.041  4.1684 415.363 26.378 438.786 22.508 -23.42273      34.67564 
1 1 1 -6  6  19 o 1229.86 22.019 321.665 11.468 319.432 16.945  323.552 15.579 1222.40 32.733 1231.23 29.877 -8.833374      44.31846 
1 1 1 -6  6  20 f 852.627 27.646 155.121 9.9824 0.0000  0.0000  155.121 9.9824 ?       ?      852.627 27.646 0.000000       27.64588 
1 1 1 -6  6  21 o 517.213 27.941 57.297  6.0974 0.0000  0.0000  57.297  6.0974 ?       ?      517.213 27.941 0.000000       27.94116 
1 1 1 -6  6  22 o 466.465 29.137 46.711  5.7271 46.711  5.7271  0.0000  0.0000 466.465 29.137 ?       ?      0.000000       29.13729 
1 1 1 -6  6  23 o 549.524 29.870 64.857  6.9252 64.857  6.9252  0.0000  0.0000 549.524 29.870 ?       ?      0.000000       29.87018 
1 1 1 -6  6  24 o 387.129 30.096 32.365  4.8953 32.365  4.8953  0.0000  0.0000 387.129 30.096 ?       ?      0.000000       30.09561 
1 1 1 -6  6  25 o 650.239 22.033 90.382  6.0671 93.845  8.4584  86.712  8.7075 659.819 30.270 632.567 32.615 27.25146       44.49791 
1 1 1 -6  6  26 o 339.786 31.077 25.203  4.4223 25.203  4.4223  0.0000  0.0000 339.786 31.077 ?       ?      0.000000       31.07678 
1 1 1 -6  6  27 o 315.478 22.491 21.472  2.9852 28.588  4.1929  14.156  4.2512 362.694 27.502 249.769 41.658 112.9256       49.91786 
1 1 1 -6  6  28 f 293.761 22.810 18.690  2.8154 23.107  3.9284  14.026  4.0371 324.755 28.865 248.413 39.713 76.34274       49.09455 
1 1 1 -6  6  29 o 104.487 37.670 2.1398  2.1320 0.0000  0.0000  2.1398  2.1320 ?       ?      104.487 37.670 0.000000       37.67046 
1 1 1 -6  6  30 o 402.316 22.696 35.204  3.8511 43.585  5.3657  26.300  5.5306 444.386 28.665 338.603 39.300 105.7833       48.64282 
1 1 1 -6  6  31 o 215.144 25.718 10.292  2.2968 9.3853  3.1043  11.389  3.4140 199.889 38.061 220.773 37.879 -20.88351      53.69851 
1 1 1 -6  6  32 o 217.724 25.567 10.581  2.3125 14.637  3.2129  6.2217  3.3309 253.973 30.481 158.241 46.578 95.73227       55.66542 
1 1 1 -6  7  1  o 207.231 17.282 9.2026  1.5028 9.5294  2.5159  9.0214  1.8738 208.663 29.277 204.408 21.993 4.255295       36.61755 
1 1 1 -6  7  2  o 498.715 30.101 53.658  6.3276 0.0000  0.0000  53.658  6.3276 ?       ?      498.715 30.101 0.000000       30.10102 
1 1 1 -6  7  3  o 220.143 19.582 10.408  1.8065 11.612  2.4722  9.0289  2.6463 231.527 25.645 202.427 31.927 29.09955       40.95152 
1 1 1 -6  7  4  o 663.406 19.637 93.808  5.5171 95.859  7.5669  91.480  8.0611 668.752 26.718 652.538 29.171 16.21344       39.55762 
1 1 1 -6  7  5  o 346.950 18.151 25.706  2.6577 26.607  3.6545  24.695  3.8721 351.751 24.689 338.232 27.264 13.51892       36.78149 
1 1 1 -6  7  6  o 595.832 18.390 75.629  4.6404 78.564  6.3941  72.363  6.7449 605.756 24.925 580.683 27.428 25.07251       37.06163 
1 1 1 -6  7  7  o 159.404 17.859 5.4783  1.1849 6.1341  1.6357  4.7541  1.7188 167.742 23.684 146.288 28.769 21.45441       37.26398 
1 1 1 -6  7  8  o 541.010 25.238 62.717  5.7825 0.0000  0.0000  62.717  5.7825 ?       ?      541.010 25.238 0.000000       25.23847 
1 1 1 -6  7  9  o 352.071 24.036 26.644  3.5623 0.0000  0.0000  26.644  3.5623 ?       ?      352.071 24.036 0.000000       24.03563 
1 1 1 -6  7  10 o 399.504 15.008 33.928  2.5391 0.0000  0.0000  33.928  2.5391 ?       ?      399.504 15.008 0.000000       15.00789 
1 1 1 -6  7  11 o 559.534 14.760 66.519  3.4975 0.0000  0.0000  66.519  3.4975 ?       ?      559.534 14.760 0.000000       14.75992 
1 1 1 -6  7  12 o 459.935 15.332 44.936  2.9864 0.0000  0.0000  44.936  2.9864 ?       ?      459.935 15.332 0.000000       15.33221 
1 1 1 -6  7  13 o 219.001 15.648 10.235  1.4417 0.0000  0.0000  10.235  1.4417 ?       ?      219.001 15.648 0.000000       15.64760 
1 1 1 -6  7  14 o 507.557 12.707 54.631  2.7313 58.222  4.3207  52.241  3.5250 523.436 19.492 496.051 16.780 27.38513       25.71940 
1 1 1 -6  7  15 o 436.942 12.362 40.476  2.2875 40.064  3.5052  40.782  3.0191 434.342 19.056 438.390 16.262 -4.048126      25.05173 
1 1 1 -6  7  16 o 652.761 17.352 90.429  4.7969 0.0000  0.0000  90.429  4.7969 ?       ?      652.761 17.352 0.000000       17.35236 
1 1 1 -6  7  17 o 242.351 13.966 12.496  1.4273 13.554  2.4026  11.920  1.7742 251.486 22.807 236.302 17.862 15.18475       28.96925 
1 1 1 -6  7  18 o 909.647 16.123 175.585 6.2110 160.463 10.669  183.337 7.6389 867.521 29.039 929.066 19.415 -61.54462      34.93164 
1 1 1 -6  7  19 o 706.561 15.564 105.943 4.6571 108.428 8.0495  104.693 5.7097 713.281 26.648 701.974 19.207 11.30719       32.84834 
1 1 1 -6  7  20 o 871.311 27.188 161.973 10.032 0.0000  0.0000  161.973 10.032 ?       ?      871.311 27.188 0.000000       27.18774 
1 1 1 -6  7  21 o 1022.43 22.097 222.568 9.5679 0.0000  0.0000  222.568 9.5679 ?       ?      1022.43 22.097 0.000000       22.09732 
1 1 1 -6  7  22 o 653.898 20.855 91.009  5.7753 89.961  7.9640  92.171  8.3874 648.563 28.996 656.208 30.182 -7.645508      41.85328 
1 1 1 -6  7  23 o 356.701 28.848 27.406  4.3205 27.406  4.3205  0.0000  0.0000 356.701 28.848 ?       ?      0.000000       28.84808 
1 1 1 -6  7  24 o 678.870 30.048 98.993  8.6387 98.993  8.6387  0.0000  0.0000 678.870 30.048 ?       ?      0.000000       30.04802 
1 1 1 -6  7  25 o 388.823 30.132 32.783  4.9228 32.783  4.9228  0.0000  0.0000 388.823 30.132 ?       ?      0.000000       30.13183 
1 1 1 -6  7  26 o 289.771 22.608 18.106  2.7523 21.298  3.8070  14.611  3.9838 312.676 29.084 255.758 37.931 56.91792       47.79760 
1 1 1 -6  7  27 o 496.989 21.819 52.999  4.5923 64.266  6.4217  41.207  6.5697 544.311 27.953 431.894 36.255 112.4165       45.77939 
1 1 1 -6  7  28 o 492.964 21.953 52.290  4.5831 62.448  6.4013  41.608  6.5648 535.196 28.344 432.563 36.169 102.6336       45.95179 
1 1 1 -6  7  29 o 301.791 34.739 20.497  4.3589 0.0000  0.0000  20.497  4.3589 ?       ?      301.791 34.739 0.000000       34.73948 
1 1 1 -6  7  30 o 465.352 22.307 46.941  4.3960 46.050  6.0676  47.925  6.3779 454.632 31.713 463.094 32.732 -8.461700      45.57520 
1 1 1 -6  7  31 o 243.717 24.439 13.125  2.4884 13.931  3.3485  12.131  3.7188 247.208 32.795 226.501 40.244 20.70670       51.91416 
1 1 1 -6  7  32 o 216.916 25.337 10.498  2.2836 12.285  3.0340  8.1631  3.4685 231.702 31.755 181.403 45.289 50.29918       55.31259 
1 1 1 -6  8  1  o 327.117 19.982 22.900  2.7549 22.536  3.7750  23.314  4.0293 322.896 27.880 328.113 29.306 -5.216919      40.44945 
1 1 1 -6  8  2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  8  3  o 418.145 18.869 37.255  3.3414 35.032  4.5724  39.802  4.8949 403.319 26.925 429.985 27.019 -26.66592      38.14395 
1 1 1 -6  8  4  o 650.834 19.201 90.279  5.2921 90.517  7.2896  90.013  7.6951 649.787 26.491 647.490 28.063 2.296631       38.59145 
1 1 1 -6  8  5  o 404.904 18.000 34.917  3.0865 38.006  4.2581  31.497  4.4802 420.829 23.992 382.050 27.883 38.77936       36.78473 
1 1 1 -6  8  6  o 184.226 17.757 7.2935  1.3682 6.6824  1.8872  7.9707  1.9865 174.674 26.330 191.339 25.122 -16.66420      36.39238 
1 1 1 -6  8  7  o 603.544 17.568 77.575  4.4902 80.362  6.1611  74.416  6.5575 612.849 23.739 589.050 26.287 23.79883       35.41970 
1 1 1 -6  8  8  o 477.178 16.309 48.456  3.2958 49.054  4.3984  47.690  4.9770 479.198 21.674 471.163 25.033 8.034790       33.11206 
1 1 1 -6  8  9  o 626.915 13.207 83.482  3.5064 78.975  5.6202  86.355  4.4867 608.107 21.824 637.026 16.631 -28.91827      27.43850 
1 1 1 -6  8  10 o 265.849 14.740 15.066  1.6530 0.0000  0.0000  15.066  1.6530 ?       ?      265.849 14.740 0.000000       14.74013 
1 1 1 -6  8  11 f 694.775 15.466 102.580 4.5505 0.0000  0.0000  102.580 4.5505 ?       ?      694.775 15.466 0.000000       15.46575 
1 1 1 -6  8  12 o 428.020 14.744 38.901  2.6726 0.0000  0.0000  38.901  2.6726 ?       ?      428.020 14.744 0.000000       14.74415 
1 1 1 -6  8  13 o 471.257 15.424 47.146  3.0782 0.0000  0.0000  47.146  3.0782 ?       ?      471.257 15.424 0.000000       15.42377 
1 1 1 -6  8  14 o 571.348 11.140 69.200  2.6955 70.765  3.6852  67.399  3.9528 577.506 15.068 563.479 16.565 14.02661       22.39279 
1 1 1 -6  8  15 o 838.530 14.118 149.122 5.0136 149.399 7.8878  148.933 6.4941 838.329 22.218 837.547 18.309 0.7815552      28.78979 
1 1 1 -6  8  16 o 560.945 13.214 66.715  3.1390 64.464  4.9717  68.207  4.0478 550.820 21.313 566.949 16.859 -16.12854      27.17500 
1 1 1 -6  8  17 o 689.730 14.417 100.895 4.2111 106.861 7.0701  97.615  5.2424 708.882 23.551 678.097 18.256 30.78534       29.79786 
1 1 1 -6  8  18 o 505.680 14.486 54.241  3.1021 51.627  5.2221  55.666  3.8563 491.845 25.155 512.053 17.783 -20.20776      30.80640 
1 1 1 -6  8  19 o 471.296 25.084 47.441  4.9885 47.441  4.9885  0.0000  0.0000 471.296 25.084 ?       ?      0.000000       25.08397 
1 1 1 -6  8  20 o 579.304 19.188 71.334  4.7075 0.0000  0.0000  71.334  4.7075 ?       ?      579.304 19.188 0.000000       19.18843 
1 1 1 -6  8  21 o 376.418 19.625 30.215  3.1176 0.0000  0.0000  30.215  3.1176 ?       ?      376.418 19.625 0.000000       19.62489 
1 1 1 -6  8  22 o 346.785 16.725 25.551  2.4562 25.305  3.9917  25.700  3.1160 343.021 27.715 346.792 21.321 -3.771271      34.96711 
1 1 1 -6  8  23 f 387.920 20.246 32.124  3.3144 31.545  4.5197  32.798  4.8751 382.972 28.063 390.173 29.728 -7.201141      40.88129 
1 1 1 -6  8  24 o 278.334 21.233 16.620  2.4838 19.329  3.3945  13.498  3.6441 299.144 27.089 247.480 35.812 51.66379       44.90289 
1 1 1 -6  8  25 o 294.663 29.609 18.897  3.6448 18.897  3.6448  0.0000  0.0000 294.663 29.609 ?       ?      0.000000       29.60888 
1 1 1 -6  8  26 o 296.260 21.888 18.906  2.7267 20.062  3.7089  17.546  4.0224 303.275 29.240 281.819 34.419 21.45676       45.16219 
1 1 1 -6  8  27 o 243.254 32.033 13.097  3.2197 13.097  3.2197  0.0000  0.0000 243.254 32.033 ?       ?      0.000000       32.03347 
1 1 1 -6  8  28 o 299.448 22.383 19.418  2.8180 23.506  3.8543  14.724  4.1304 327.641 28.049 254.349 39.638 73.29169       48.55817 
1 1 1 -6  8  29 o 312.833 33.896 21.971  4.4188 0.0000  0.0000  21.971  4.4188 ?       ?      312.833 33.896 0.000000       33.89582 
1 1 1 -6  8  30 o 459.823 22.234 45.844  4.3296 56.801  6.0607  34.423  6.1873 507.465 28.314 388.290 38.119 119.1746       47.48416 
1 1 1 -6  8  31 o 421.570 22.550 38.856  4.0113 51.831  5.5787  24.966  5.7718 483.566 27.354 324.248 43.101 159.3180       51.04808 
1 1 1 -6  8  32 o 249.849 24.037 13.827  2.5119 18.158  3.4421  8.8919  3.6740 283.900 29.038 188.819 46.300 95.08144       54.65304 
1 1 1 -6  9  1  o 548.237 19.986 64.096  4.6402 62.668  6.3621  65.718  6.7826 539.590 27.937 552.220 29.106 -12.62939      40.34381 
1 1 1 -6  9  2  o 501.469 28.300 54.172  5.9855 0.0000  0.0000  54.172  5.9855 ?       ?      501.469 28.300 0.000000       28.30017 
1 1 1 -6  9  3  o 664.637 19.417 94.168  5.4653 97.686  7.5538  90.304  7.9172 675.013 26.425 648.240 28.840 26.77313       39.11505 
1 1 1 -6  9  4  o 337.158 18.253 24.285  2.5965 25.437  3.5938  23.026  3.7555 343.823 24.849 326.449 27.419 17.37402       37.00403 
1 1 1 -6  9  5  o 337.234 17.772 24.286  2.5292 26.207  3.5117  22.215  3.6458 349.199 23.890 320.666 27.101 28.53348       36.12723 
1 1 1 -6  9  6  o 334.012 17.217 23.815  2.4271 25.408  3.3529  22.062  3.5178 343.938 23.154 319.721 26.212 24.21732       34.97387 
1 1 1 -6  9  7  o 463.642 16.732 45.759  3.2854 45.635  4.4732  45.904  4.8410 461.960 22.865 462.272 24.819 -0.3120728     33.74585 
1 1 1 -6  9  8  o 385.487 15.803 31.610  2.5798 31.213  3.4292  32.129  3.9158 381.762 21.296 386.752 24.027 -4.989166      32.10608 
1 1 1 -6  9  9  f 809.440 13.958 139.212 4.7848 145.298 7.8310  135.586 6.0443 824.713 22.422 797.951 17.887 26.76184       28.68214 
1 1 1 -6  9  10 o 618.360 12.378 81.167  3.2415 80.356  5.4050  81.622  4.0509 613.875 20.791 619.664 15.437 -5.788269      25.89483 
1 1 1 -6  9  11 o 871.650 13.407 161.295 4.9491 149.810 8.4688  167.252 6.0988 837.698 23.872 887.065 16.235 -49.36700      28.86952 
1 1 1 -6  9  12 o 521.896 11.840 57.773  2.6169 54.726  4.4017  59.439  3.2546 507.080 20.498 529.139 14.524 -22.05832      25.12151 
1 1 1 -6  9  13 o 911.390 12.431 176.162 4.7979 183.485 6.6969  168.440 6.8771 929.495 17.013 890.377 18.239 39.11786       24.94175 
1 1 1 -6  9  14 o 534.682 10.918 60.598  2.4721 65.505  3.4003  55.097  3.6004 555.688 14.449 509.481 16.687 46.20761       22.07332 
1 1 1 -6  9  15 o 350.431 10.974 26.027  1.6286 26.992  2.2133  24.888  2.4049 356.738 14.651 342.468 16.582 14.26962       22.12688 
1 1 1 -6  9  16 o 1016.23 15.276 219.060 6.5741 214.986 10.548  221.649 8.4067 1005.30 24.775 1021.67 19.430 -16.36462      31.48548 
1 1 1 -6  9  17 o 1279.86 17.550 347.685 9.5120 361.105 15.762  340.000 11.929 1301.72 28.593 1264.70 22.273 37.02319       36.24414 
1 1 1 -6  9  18 o 237.732 14.655 12.035  1.4683 12.072  2.4209  12.012  1.8467 236.924 24.481 237.115 18.538 -0.1906891     30.70799 
1 1 1 -6  9  19 o 321.375 17.634 22.000  2.3908 20.978  3.3103  23.115  3.4567 312.809 25.203 328.474 25.038 -15.66507      35.52562 
1 1 1 -6  9  20 o 347.475 19.281 25.746  2.8261 0.0000  0.0000  25.746  2.8261 ?       ?      347.475 19.281 0.000000       19.28107 
1 1 1 -6  9  21 f 580.248 19.789 71.617  4.8627 0.0000  0.0000  71.617  4.8627 ?       ?      580.248 19.789 0.000000       19.78887 
1 1 1 -6  9  22 o 541.879 16.253 62.377  3.7298 55.792  6.1230  66.262  4.7031 510.007 28.463 558.050 19.901 -48.04266      34.72992 
1 1 1 -6  9  23 o 346.408 20.267 25.639  2.9602 27.746  3.9860  23.047  4.4203 359.333 26.378 326.017 32.447 33.31528       41.81664 
1 1 1 -6  9  24 o 247.225 21.362 13.138  2.2146 11.812  2.9583  14.828  3.3400 232.375 30.822 260.782 30.841 -28.40761      43.60206 
1 1 1 -6  9  25 o 552.601 20.771 65.259  4.8609 62.424  6.6636  68.483  7.1064 537.243 29.400 562.563 29.936 -25.32043      41.95893 
1 1 1 -6  9  26 o 506.572 20.662 54.931  4.4325 50.287  6.0926  60.153  6.4607 480.917 30.066 526.568 29.085 -45.65125      41.83154 
1 1 1 -6  9  27 o 307.632 29.923 20.742  3.8490 20.742  3.8490  0.0000  0.0000 307.632 29.923 ?       ?      0.000000       29.92283 
1 1 1 -6  9  28 o 146.975 24.994 4.7977  1.5000 3.7456  2.0807  5.9360  2.1643 128.188 36.547 161.687 32.730 -33.49971      49.06065 
1 1 1 -6  9  29 o 131.851 28.454 3.9493  1.5422 0.0000  0.0000  3.9493  1.5422 ?       ?      131.851 28.454 0.000000       28.45429 
1 1 1 -6  9  30 f 395.318 21.961 33.977  3.6620 37.775  5.0249  29.676  5.3479 413.025 28.911 361.936 35.342 51.08862       45.66018 
1 1 1 -6  9  31 o 153.238 28.081 5.3487  1.7552 7.4240  2.2985  2.4458  2.7184 179.842 31.317 111.996 42.153 67.84573       52.51286 
1 1 1 -6  9  32 o 415.915 31.224 39.153  5.4595 39.153  5.4595  0.0000  0.0000 415.915 31.224 ?       ?      0.000000       31.22379 
1 1 1 -6  10 1  o 547.624 27.363 64.366  6.3458 64.366  6.3458  0.0000  0.0000 547.624 27.363 ?       ?      0.000000       27.36265 
1 1 1 -6  10 2  o 582.499 28.283 72.892  6.9768 0.0000  0.0000  72.892  6.9768 ?       ?      582.499 28.283 0.000000       28.28269 
1 1 1 -6  10 3  f 83.096  23.255 1.5180  0.8506 1.7717  1.2283  1.2843  1.1791 91.202  28.588 81.281  28.125 9.921425       40.10319 
1 1 1 -6  10 4  o 630.173 18.735 84.632  4.9998 88.150  6.9530  80.865  7.1947 641.352 25.600 613.660 27.685 27.69214       37.70666 
1 1 1 -6  10 5  o 533.851 17.855 60.706  4.0366 65.328  5.6016  55.712  5.8221 552.502 23.940 508.771 27.119 43.73135       36.17466 
1 1 1 -6  10 6  o 203.613 17.442 8.8929  1.4895 7.3450  2.0367  10.673  2.1840 183.088 27.086 222.131 23.577 -39.04326      35.90942 
1 1 1 -6  10 7  o 554.237 16.789 65.386  3.9407 63.852  5.3097  67.267  5.8797 546.458 22.944 560.427 24.774 -13.96954      33.76625 
1 1 1 -6  10 8  o 467.836 15.872 46.555  3.1447 46.788  4.1715  46.249  4.7860 468.202 21.038 464.238 24.430 3.963623       32.24025 
1 1 1 -6  10 9  o 641.830 15.984 87.613  4.3445 83.883  5.7506  92.572  6.6312 626.868 21.662 657.990 23.797 -31.12134      32.17987 
1 1 1 -6  10 10 o 481.603 11.719 49.217  2.3901 47.400  4.0095  50.218  2.9768 471.663 20.073 486.208 14.457 -14.54559      24.73750 
1 1 1 -6  10 11 o 910.694 13.686 176.064 5.2784 177.068 9.0570  175.547 6.4956 911.029 23.475 908.753 16.878 2.275818       28.91288 
1 1 1 -6  10 12 o 416.632 10.255 36.800  1.8094 37.051  2.6109  36.568  2.5097 417.781 14.757 415.079 14.277 2.702545       20.53337 
1 1 1 -6  10 13 o 280.490 10.624 16.677  1.2620 17.286  1.7691  16.047  1.8007 285.038 14.706 274.528 15.552 10.50967       21.40410 
1 1 1 -6  10 14 o 222.539 10.649 10.496  1.0036 10.635  1.3785  10.340  1.4639 223.435 14.649 220.179 15.805 3.255768       21.54979 
1 1 1 -6  10 15 o 544.369 11.179 62.809  2.5770 61.591  3.5385  64.185  3.7605 538.823 15.507 550.010 16.145 -11.18604      22.38600 
1 1 1 -6  10 16 o 770.112 14.173 125.773 4.6225 125.421 7.3379  126.005 5.9519 768.130 22.558 770.434 18.242 -2.303711      29.01064 
1 1 1 -6  10 17 o 1086.86 16.114 250.649 7.4167 247.272 12.117  252.673 9.3790 1077.58 26.551 1090.56 20.308 -12.98376      33.42714 
1 1 1 -6  10 18 o 600.559 16.168 76.547  4.1119 76.715  6.0008  76.398  5.6456 600.437 23.599 599.357 22.242 1.080139       32.42931 
1 1 1 -6  10 19 o 506.564 16.800 54.487  3.6040 57.278  5.1951  51.897  5.0040 518.667 23.651 493.671 23.935 24.99628       33.64935 
1 1 1 -6  10 20 o 602.322 30.935 77.823  7.8643 0.0000  0.0000  77.823  7.8643 ?       ?      602.322 30.935 0.000000       30.93541 
1 1 1 -6  10 21 o 671.550 16.117 95.787  4.5835 84.060  7.6105  102.461 5.7416 627.024 28.660 694.054 19.534 -67.02911      34.68441 
1 1 1 -6  10 22 o 326.627 19.748 22.782  2.7188 22.548  3.5496  23.115  4.2289 323.921 26.097 327.049 30.899 -3.127747      40.44500 
1 1 1 -6  10 23 o 558.449 16.575 66.295  3.9198 69.652  6.3535  64.232  4.9808 570.724 26.287 548.972 21.424 21.75183       33.91172 
1 1 1 -6  10 24 o 636.581 16.861 86.244  4.5455 91.401  7.4125  83.137  5.7544 652.807 26.813 623.949 21.778 28.85748       34.54239 
1 1 1 -6  10 25 o 313.096 21.179 21.057  2.7917 20.362  3.7627  21.908  4.1639 305.849 29.413 316.739 31.458 -10.88992      43.06694 
1 1 1 -6  10 26 o 396.865 20.803 33.819  3.4842 30.427  4.7386  37.812  5.1407 373.477 30.219 416.936 29.301 -43.45911      42.09172 
1 1 1 -6  10 27 o 410.646 28.476 36.740  4.9216 36.740  4.9216  0.0000  0.0000 410.646 28.476 ?       ?      0.000000       28.47622 
1 1 1 -6  10 28 o 586.152 31.250 75.599  7.7291 0.0000  0.0000  75.599  7.7291 ?       ?      586.152 31.250 0.000000       31.24972 
1 1 1 -6  10 29 o 613.545 21.346 81.363  5.5463 84.621  7.6964  77.842  7.9996 620.161 29.305 591.901 32.033 28.26038       43.41532 
1 1 1 -6  10 30 o 327.800 17.823 23.185  2.4650 30.123  4.1314  19.350  3.0715 369.755 26.561 296.815 24.659 72.94006       36.24316 
1 1 1 -6  10 31 o 219.210 19.382 10.486  1.7807 11.547  2.9422  9.8728  2.2370 224.822 31.789 210.342 25.643 14.48094       40.84251 
1 1 1 -6  10 32 o 82.860  27.949 1.4552  1.1629 1.6074  1.7165  1.3261  1.5810 91.324  33.666 85.608  32.161 5.716415       46.55917 
1 1 1 -6  11 1  o 304.501 27.339 20.058  3.4878 20.058  3.4878  0.0000  0.0000 304.501 27.339 ?       ?      0.000000       27.33856 
1 1 1 -6  11 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  11 3  o 501.159 18.428 53.519  3.9110 53.170  5.4073  53.903  5.6636 497.385 25.759 500.506 26.818 -3.120514      37.18513 
1 1 1 -6  11 4  o 223.874 18.174 10.748  1.7082 10.540  2.3901  10.964  2.4421 220.212 26.139 224.651 26.159 -4.438675      36.98071 
1 1 1 -6  11 5  o 259.518 17.457 14.407  1.9074 14.423  2.6570  14.391  2.7400 258.377 24.579 257.916 25.416 0.4604492      35.35645 
1 1 1 -6  11 6  o 428.442 16.893 39.076  3.0652 37.732  4.1863  40.629  4.5003 419.293 23.672 434.928 24.534 -15.63516      34.09229 
1 1 1 -6  11 7  o 478.659 16.364 48.751  3.3171 51.106  4.4505  45.806  4.9756 489.228 21.481 461.690 25.547 27.53769       33.37799 
1 1 1 -6  11 8  o 462.252 12.832 45.376  2.5119 44.968  4.0853  45.624  3.1851 459.054 21.014 463.111 16.241 -4.056641      26.55869 
1 1 1 -6  11 9  o 280.225 15.310 16.740  1.8101 18.140  2.3856  14.841  2.7787 291.160 19.460 262.188 25.342 28.97229       31.95133 
1 1 1 -6  11 10 o 489.989 14.828 51.002  3.0769 52.802  4.1256  48.746  4.6188 497.967 19.563 477.978 22.818 19.98923       30.05653 
1 1 1 -6  11 11 o 867.943 13.444 159.880 4.9417 167.158 8.4985  156.163 6.0741 885.606 22.660 857.253 16.731 28.35248       28.16750 
1 1 1 -6  11 12 f 425.800 10.279 38.435  1.8536 37.868  2.6586  38.972  2.5857 422.381 14.863 428.536 14.248 -6.154938      20.58908 
1 1 1 -6  11 13 o 291.303 10.404 17.986  1.2835 18.048  1.8057  17.923  1.8247 291.288 14.685 290.260 14.894 1.028412       20.91636 
1 1 1 -6  11 14 o 692.681 11.380 101.705 3.3383 106.159 4.6098  96.794  4.8407 707.373 15.388 675.314 16.926 32.05865       22.87563 
1 1 1 -6  11 15 o 513.007 11.064 55.779  2.4037 54.575  3.3143  57.115  3.4914 507.215 15.430 518.854 15.889 -11.63821      22.14824 
1 1 1 -6  11 16 o 371.817 15.575 29.329  2.4524 27.663  3.0172  32.572  4.2099 360.349 19.848 390.386 25.606 -30.03763      32.39796 
1 1 1 -6  11 17 o 298.981 14.441 18.961  1.8284 18.851  2.5595  19.075  2.6129 297.162 20.463 298.888 20.772 -1.726837      29.15818 
1 1 1 -6  11 18 o 826.400 17.087 144.993 5.9800 143.632 8.5899  146.274 8.3300 821.322 24.696 829.021 23.727 -7.698120      34.24691 
1 1 1 -6  11 19 o 612.279 24.059 79.850  6.2383 0.0000  0.0000  79.850  6.2383 ?       ?      612.279 24.059 0.000000       24.05877 
1 1 1 -6  11 20 o 318.847 20.765 21.721  2.7886 0.0000  0.0000  21.721  2.7886 ?       ?      318.847 20.765 0.000000       20.76547 
1 1 1 -6  11 21 o 618.204 19.907 81.310  5.2118 85.675  6.8072  75.127  8.1017 633.643 25.368 591.043 32.493 42.60016       41.22250 
1 1 1 -6  11 22 o 606.650 19.907 78.323  5.1142 70.906  6.6629  88.959  7.9790 575.928 27.318 644.653 29.227 -68.72473      40.00586 
1 1 1 -6  11 23 o 605.817 16.307 78.022  4.1836 84.901  6.7816  73.795  5.3157 630.185 25.411 588.353 21.334 41.83142       33.17938 
1 1 1 -6  11 24 o 305.019 17.397 19.875  2.2380 20.311  3.3694  19.532  2.9937 306.666 26.196 301.232 23.658 5.433777       35.29740 
1 1 1 -6  11 25 o 536.494 17.092 61.357  3.8833 58.912  6.1294  62.997  5.0192 522.114 27.821 542.465 21.849 -20.35071      35.37484 
1 1 1 -6  11 26 o 244.081 21.823 12.875  2.2320 11.595  2.9298  14.645  3.4455 229.137 30.987 257.542 32.301 -28.40486      44.76112 
1 1 1 -6  11 27 o 242.609 30.074 12.990  3.0237 12.990  3.0237  0.0000  0.0000 242.609 30.074 ?       ?      0.000000       30.07450 
1 1 1 -6  11 28 o 363.364 32.166 29.283  4.8986 0.0000  0.0000  29.283  4.8986 ?       ?      363.364 32.166 0.000000       32.16579 
1 1 1 -6  11 29 o 447.401 21.022 43.254  3.9830 40.690  5.4184  46.267  5.8748 428.563 30.045 456.772 30.547 -28.20856      42.84602 
1 1 1 -6  11 30 o 272.673 22.041 16.241  2.5234 17.273  3.4839  15.102  3.6599 277.698 30.106 257.326 34.450 20.37143       45.75117 
1 1 1 -6  11 31 o 175.837 24.255 6.9022  1.7581 5.4661  2.4289  8.4829  2.5481 151.113 37.994 191.679 32.555 -40.56656      50.03360 
1 1 1 -6  11 32 o 547.428 21.527 65.426  4.9906 63.860  6.9346  67.107  7.1877 531.661 30.933 544.648 31.294 -12.98706      44.00207 
1 1 1 -6  12 1  o 435.375 27.810 40.855  5.1008 0.0000  0.0000  40.855  5.1008 ?       ?      435.375 27.810 0.000000       27.81030 
1 1 1 -6  12 2  o 324.901 26.826 22.795  3.6581 22.795  3.6581  0.0000  0.0000 324.901 26.826 ?       ?      0.000000       26.82609 
1 1 1 -6  12 3  o 136.916 29.004 4.1794  1.6294 4.1794  1.6294  0.0000  0.0000 136.916 29.004 ?       ?      0.000000       29.00440 
1 1 1 -6  12 4  o 348.983 17.771 26.006  2.6176 23.400  3.5913  28.960  3.8234 329.388 25.955 366.926 24.750 -37.53757      35.86435 
1 1 1 -6  12 5  o 334.233 17.159 23.845  2.4206 22.269  3.3399  25.588  3.5131 321.569 24.715 344.943 24.202 -23.37415      34.59127 
1 1 1 -6  12 6  o 208.372 17.128 9.3042  1.4981 8.8615  2.0210  9.8440  2.2317 202.124 24.085 212.947 25.238 -10.82309      34.88659 
1 1 1 -6  12 7  o 500.228 13.248 53.150  2.8064 48.317  4.5461  56.125  3.5672 475.544 22.574 513.615 16.400 -38.07101      27.90242 
1 1 1 -6  12 8  o 489.074 12.748 50.787  2.6404 53.175  4.3296  49.373  3.3316 499.367 20.473 481.797 16.328 17.57001       26.18714 
1 1 1 -6  12 9  o 486.175 12.187 50.164  2.5092 48.658  4.1400  51.038  3.1547 477.835 20.459 490.083 15.200 -12.24832      25.48731 
1 1 1 -6  12 10 o 821.111 16.471 143.298 5.7276 137.975 7.7891  149.565 8.4515 804.325 22.867 837.168 23.839 -32.84229      33.03301 
1 1 1 -6  12 11 o 473.901 12.335 47.640  2.4756 48.379  3.0558  46.229  4.2228 477.346 15.116 465.986 21.398 11.35974       26.19927 
1 1 1 -6  12 12 o 760.521 13.073 122.686 4.2106 121.084 5.1814  125.801 7.2251 755.187 16.201 768.856 22.190 -13.66895      27.47493 
1 1 1 -6  12 13 o 188.621 12.809 7.5791  1.0171 7.5385  1.2521  7.6580  1.7440 187.806 15.892 188.463 22.283 -0.6573334     27.36934 
1 1 1 -6  12 14 o 111.550 15.423 2.6898  0.7091 2.8140  0.8501  2.4058  1.2856 113.711 18.271 104.544 28.332 9.167137       33.71240 
1 1 1 -6  12 15 o 445.776 12.091 42.125  2.2826 43.810  2.8444  39.076  3.8257 454.480 14.779 428.851 21.065 25.62839       25.73223 
1 1 1 -6  12 16 o 300.241 14.093 19.118  1.7919 19.318  2.4580  18.890  2.6177 300.981 19.387 297.443 20.915 3.537994       28.51788 
1 1 1 -6  12 17 o 856.508 16.621 155.704 6.0289 155.592 8.4856  155.819 8.5672 855.206 23.430 855.794 23.639 -0.5880127     33.28281 
1 1 1 -6  12 18 o 910.586 19.446 176.201 7.4989 0.0000  0.0000  176.201 7.4989 ?       ?      910.586 19.446 0.000000       19.44600 
1 1 1 -6  12 19 o 491.746 23.600 51.504  4.9147 0.0000  0.0000  51.504  4.9147 ?       ?      491.746 23.600 0.000000       23.60007 
1 1 1 -6  12 20 o 445.619 18.771 42.219  3.5424 44.213  4.5384  39.110  5.6666 454.881 23.641 426.182 31.622 28.69861       39.48243 
1 1 1 -6  12 21 o 395.751 16.007 33.267  2.6827 31.892  4.1997  34.215  3.4868 385.670 25.863 400.414 20.633 -14.74399      33.08499 
1 1 1 -6  12 22 o 462.598 19.555 45.541  3.8309 49.506  4.9842  39.818  5.9886 481.009 24.550 429.303 33.197 51.70572       41.28857 
1 1 1 -6  12 23 o 560.462 16.128 66.785  3.8280 66.412  6.1519  67.021  4.8899 557.064 26.077 560.732 20.592 -3.667542      33.22729 
1 1 1 -6  12 24 o 358.031 16.673 27.292  2.5280 30.178  3.8948  25.190  3.3231 374.487 24.698 342.371 23.054 32.11563       33.78527 
1 1 1 -6  12 25 o 423.179 17.057 38.185  3.0568 36.224  4.7569  39.564  3.9896 408.994 27.626 429.219 22.023 -20.22504      35.32976 
1 1 1 -6  12 26 o 379.852 17.480 30.813  2.8118 29.590  4.2844  31.738  3.7267 368.950 27.621 383.659 23.044 -14.70877      35.97153 
1 1 1 -6  12 27 o 355.880 27.712 27.637  4.1437 27.637  4.1437  0.0000  0.0000 355.880 27.712 ?       ?      0.000000       27.71242 
1 1 1 -6  12 28 o 510.489 31.900 57.672  6.8618 0.0000  0.0000  57.672  6.8618 ?       ?      510.489 31.900 0.000000       31.89981 
1 1 1 -6  12 29 f 308.022 21.475 20.621  2.7838 20.591  3.7385  20.657  4.1707 304.459 29.359 303.109 33.026 1.350342       44.18848 
1 1 1 -6  12 30 f 254.031 22.312 14.134  2.3760 12.842  3.1938  15.735  3.5554 237.660 32.592 263.443 32.561 -25.78377      46.07006 
1 1 1 -6  12 31 o 134.368 28.064 4.1501  1.5454 3.9357  2.0566  4.4281  2.3422 128.878 36.192 135.980 38.778 -7.101563      53.04311 
1 1 1 -6  12 32 o 138.320 22.834 4.2917  1.2909 3.3495  2.1154  4.8507  1.6295 119.655 37.518 145.633 27.427 -25.97813      46.47450 
1 1 1 -6  13 1  o 382.108 27.946 31.499  4.4908 0.0000  0.0000  31.499  4.4908 ?       ?      382.108 27.946 0.000000       27.94603 
1 1 1 -6  13 2  o 660.712 27.639 93.697  7.7335 0.0000  0.0000  93.697  7.7335 ?       ?      660.712 27.639 0.000000       27.63899 
1 1 1 -6  13 3  o 968.416 28.653 201.527 11.751 201.527 11.751  0.0000  0.0000 968.416 28.653 ?       ?      0.000000       28.65334 
1 1 1 -6  13 4  o 595.763 25.195 76.018  6.3567 76.018  6.3567  0.0000  0.0000 595.763 25.195 ?       ?      0.000000       25.19492 
1 1 1 -6  13 5  o 466.532 17.234 46.333  3.4050 43.459  4.6682  49.600  4.9775 449.949 24.592 480.791 24.528 -30.84232      34.73278 
1 1 1 -6  13 6  o 312.560 16.671 20.846  2.1987 20.166  2.9370  21.712  3.3163 306.381 22.799 317.551 24.859 -11.16968      33.73095 
1 1 1 -6  13 7  o 395.473 12.957 33.211  2.1700 33.674  3.5063  32.923  2.7625 396.776 20.941 393.402 16.582 3.373505       26.71112 
1 1 1 -6  13 8  o 478.076 12.628 48.517  2.5567 49.699  4.2239  47.834  3.2119 482.851 20.657 474.340 15.989 8.511566       26.12186 
1 1 1 -6  13 9  o 149.761 13.667 4.8012  0.8573 4.5217  1.4654  4.9466  1.0570 143.455 25.032 151.626 16.740 -8.170624      30.11355 
1 1 1 -6  13 10 o 572.435 12.141 69.515  2.9433 69.212  4.9553  69.680  3.6587 570.198 20.521 572.825 15.082 -2.626709      25.46719 
1 1 1 -6  13 11 o 318.237 11.486 21.476  1.5480 24.313  2.6815  20.058  1.8958 337.675 18.826 307.413 14.562 30.26196       23.80075 
1 1 1 -6  13 12 o 573.181 10.612 69.641  2.5760 69.450  3.6781  69.825  3.6089 572.070 15.182 573.640 14.856 -1.570618      21.24101 
1 1 1 -6  13 13 o 493.591 11.983 51.651  2.5048 50.379  3.0827  54.123  4.2973 487.308 14.938 504.706 20.105 -17.39731      25.04699 
1 1 1 -6  13 14 o 1057.94 14.776 237.403 6.6203 243.358 8.1699  226.015 11.298 1070.68 18.018 1030.42 25.890 40.25696       31.54310 
1 1 1 -6  13 15 o 281.881 12.195 16.844  1.4557 17.861  1.8117  14.991  2.4455 289.812 14.811 264.670 22.018 25.14227       26.53580 
1 1 1 -6  13 16 o 807.151 14.994 138.203 5.1254 126.685 9.2188  143.357 6.1662 770.988 28.235 821.763 17.719 -50.77551      33.33382 
1 1 1 -6  13 17 o 1103.45 20.431 258.774 9.5474 0.0000  0.0000  258.774 9.5474 ?       ?      1103.45 20.431 0.000000       20.43092 
1 1 1 -6  13 18 o 554.573 28.940 65.834  6.7732 0.0000  0.0000  65.834  6.7732 ?       ?      554.573 28.940 0.000000       28.94022 
1 1 1 -6  13 19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  13 20 o 243.426 17.241 12.654  1.7659 12.230  2.5795  13.028  2.4225 237.991 26.018 246.137 23.527 -8.146103      35.07776 
1 1 1 -6  13 21 o 553.738 15.783 65.128  3.7011 58.807  5.9008  69.228  4.7520 524.013 26.679 570.410 19.672 -46.39740      33.14719 
1 1 1 -6  13 22 o 121.880 25.244 3.2884  1.2601 3.2241  1.6001  3.3933  2.0445 120.364 31.151 124.336 36.462 -3.972427      47.95643 
1 1 1 -6  13 23 o 503.926 16.085 54.002  3.4326 48.290  5.5146  57.615  4.3859 473.785 27.604 519.917 19.919 -46.13181      34.04060 
1 1 1 -6  13 24 o 304.553 17.183 19.822  2.2071 20.994  3.3801  18.952  2.9141 311.689 25.840 296.592 23.390 15.09769       34.85458 
1 1 1 -6  13 25 o 513.282 16.580 56.170  3.6040 56.628  5.6764  55.861  4.6650 512.098 26.263 510.660 21.571 1.437775       33.98582 
1 1 1 -6  13 26 f 580.931 20.496 72.324  5.0425 69.103  6.6572  76.660  7.7234 565.009 27.822 592.883 30.867 -27.87354      41.55561 
1 1 1 -6  13 27 o 437.452 17.222 40.928  3.1905 44.677  4.9414  38.247  4.1781 453.558 25.833 420.445 23.560 33.11276       34.96347 
1 1 1 -6  13 28 o 492.605 32.199 53.856  6.6803 0.0000  0.0000  53.856  6.6803 ?       ?      492.605 32.199 0.000000       32.19936 
1 1 1 -6  13 29 o 403.972 20.846 35.371  3.5542 34.898  4.7035  36.000  5.4264 397.540 28.120 401.268 32.204 -3.728241      42.75307 
1 1 1 -6  13 30 o 305.094 21.325 20.310  2.7380 21.559  3.6169  18.634  4.1902 311.278 27.728 284.893 35.501 26.38483       45.04595 
1 1 1 -6  13 31 o 166.291 25.928 6.2396  1.7664 7.4920  2.3376  4.5725  2.6969 179.986 31.833 137.613 42.234 42.37242       52.88715 
1 1 1 -6  14 1  f 438.808 18.694 41.013  3.4739 43.833  4.8438  38.026  4.9850 451.830 25.418 420.051 28.187 31.77890       37.95464 
1 1 1 -6  14 2  o 386.549 26.818 32.181  4.3629 0.0000  0.0000  32.181  4.3629 ?       ?      386.549 26.818 0.000000       26.81794 
1 1 1 -6  14 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  14 4  o 397.026 24.362 33.847  4.0763 33.847  4.0763  0.0000  0.0000 397.026 24.362 ?       ?      0.000000       24.36172 
1 1 1 -6  14 5  f 390.322 23.947 32.699  3.9392 32.699  3.9392  0.0000  0.0000 390.322 23.947 ?       ?      0.000000       23.94689 
1 1 1 -6  14 6  o 133.281 20.397 3.8730  1.1146 5.4026  1.4907  1.9334  1.6786 157.421 23.044 98.439  33.578 58.98255       40.72414 
1 1 1 -6  14 7  o 437.817 12.896 40.694  2.3910 39.397  3.8758  41.492  3.0379 429.812 21.293 441.747 16.239 -11.93512      26.77888 
1 1 1 -6  14 8  o 812.815 13.879 140.289 4.7775 142.607 7.9308  138.969 5.9854 817.513 22.908 808.312 17.485 9.200684       28.81814 
1 1 1 -6  14 9  o 403.999 11.951 34.625  2.0447 31.175  3.4118  36.559  2.5542 381.996 21.173 414.940 14.535 -32.94348      25.68196 
1 1 1 -6  14 10 o 532.223 10.715 60.060  2.4150 58.979  3.4845  61.060  3.3501 527.013 15.613 536.312 14.750 -9.299255      21.47840 
1 1 1 -6  14 11 o 408.921 11.542 35.456  1.9988 32.296  3.4397  37.067  2.4560 389.105 20.952 417.980 13.875 -28.87540      25.12912 
1 1 1 -6  14 12 o 470.873 11.728 47.007  2.3386 45.094  4.0288  47.979  2.8720 460.588 20.655 475.576 14.260 -14.98776      25.09926 
1 1 1 -6  14 13 o 586.433 12.566 72.914  3.1208 70.411  5.3530  74.203  3.8411 575.513 21.963 591.406 15.336 -15.89215      26.78798 
1 1 1 -6  14 14 o 762.298 13.770 123.228 4.4453 128.150 7.6760  120.744 5.4527 776.292 23.349 754.276 17.070 22.01563       28.92336 
1 1 1 -6  14 15 o 556.598 13.491 65.694  3.1800 60.340  5.6208  68.215  3.8565 532.504 24.925 567.005 16.061 -34.50061      29.65130 
1 1 1 -6  14 16 o 720.577 18.729 110.271 5.7154 111.221 8.0266  109.294 8.1404 722.648 26.228 716.263 26.837 6.385132       37.52454 
1 1 1 -6  14 17 o 537.705 16.426 61.373  3.7405 63.318  4.7343  58.143  6.1018 545.780 20.483 521.447 27.731 24.33356       34.47580 
1 1 1 -6  14 18 o 543.347 17.080 62.700  3.9302 66.074  4.9526  56.962  6.4589 557.349 20.983 515.496 29.712 41.85370       36.37422 
1 1 1 -6  14 19 o 315.657 25.525 21.389  3.3830 0.0000  0.0000  21.389  3.3830 ?       ?      315.657 25.525 0.000000       25.52541 
1 1 1 -6  14 20 o 462.236 14.563 45.359  2.8507 43.737  4.4770  46.464  3.6970 452.378 23.450 467.447 18.675 -15.06931      29.97767 
1 1 1 -6  14 21 o 571.176 15.596 69.295  3.7725 67.211  6.0189  70.644  4.8415 561.098 25.330 576.154 19.842 -15.05627      32.17643 
1 1 1 -6  14 22 o 283.351 19.900 17.180  2.3727 18.252  3.0661  15.578  3.7462 291.235 25.105 267.026 33.891 24.20847       42.17705 
1 1 1 -6  14 23 o 809.702 16.531 139.495 5.6685 140.507 9.3157  138.900 7.1431 809.322 27.180 806.812 20.906 2.510498       34.29002 
1 1 1 -6  14 24 o 719.218 16.573 110.191 5.0479 122.882 8.1892  102.414 6.4107 756.384 25.566 691.834 21.881 64.54962       33.65051 
1 1 1 -6  14 25 o 230.976 18.842 11.475  1.8270 12.136  2.7168  10.929  2.4685 235.512 27.773 223.649 26.583 11.86270       38.44532 
1 1 1 -6  14 26 o 251.045 22.561 13.651  2.3730 11.641  2.8840  17.865  4.1757 229.499 30.423 283.206 35.604 -53.70702      46.83142 
1 1 1 -6  14 27 o 256.440 25.957 14.392  2.7800 0.0000  0.0000  14.392  2.7800 ?       ?      256.440 25.957 0.000000       25.95654 
1 1 1 -6  14 28 o 255.965 19.013 14.171  2.0462 13.131  2.9943  15.082  2.8028 242.679 29.759 261.938 25.594 -19.25932      39.25103 
1 1 1 -6  14 29 o 217.070 22.464 10.328  2.0352 11.180  2.6398  9.0791  3.1956 223.725 28.510 196.565 39.755 27.15981       48.92094 
1 1 1 -6  14 30 o 282.819 35.092 18.387  4.1127 0.0000  0.0000  18.387  4.1127 ?       ?      282.819 35.092 0.000000       35.09185 
1 1 1 -6  14 31 o 290.905 21.963 18.597  2.6858 22.760  3.5374  12.932  4.1269 319.486 26.381 229.923 43.986 89.56290       51.29116 
1 1 1 -6  15 1  o 634.478 19.046 85.724  5.1177 85.862  7.1288  85.577  7.3513 633.301 26.581 632.013 27.466 1.287170       38.22169 
1 1 1 -6  15 2  o 416.967 18.247 37.012  3.2220 37.074  4.4823  36.946  4.6347 415.479 25.599 414.545 26.540 0.9342957      36.87395 
1 1 1 -6  15 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  15 4  o 407.737 25.543 35.712  4.3883 0.0000  0.0000  35.712  4.3883 ?       ?      407.737 25.543 0.000000       25.54258 
1 1 1 -6  15 5  o 495.452 17.098 52.221  3.5875 48.836  4.8604  56.272  5.3174 477.436 24.117 513.058 24.473 -35.62161      34.35932 
1 1 1 -6  15 6  o 303.688 16.470 19.667  2.1103 19.846  2.9518  19.480  3.0181 304.044 23.098 301.072 23.867 2.971985       33.21325 
1 1 1 -6  15 7  o 732.187 16.424 113.965 5.0925 110.656 7.1091  117.453 7.2985 720.041 23.314 741.846 23.231 -21.80566      32.91243 
1 1 1 -6  15 8  o 584.711 15.162 72.617  3.7544 78.452  5.2649  66.579  5.3555 606.978 20.482 558.820 22.630 48.15808       30.52245 
1 1 1 -6  15 9  o 413.866 14.158 36.357  2.4815 40.253  3.5585  32.668  3.4623 435.026 19.316 391.193 20.975 43.83276       28.51422 
1 1 1 -6  15 10 o 715.857 11.365 108.660 3.4454 110.478 4.9547  106.959 4.7944 721.297 16.220 709.750 15.951 11.54639       22.74920 
1 1 1 -6  15 11 o 1298.12 14.344 357.519 7.8856 364.963 11.287  350.421 11.021 1310.26 20.342 1283.91 20.270 26.35132       28.71687 
1 1 1 -6  15 12 o 388.964 10.352 32.065  1.7052 30.283  2.4215  33.819  2.4017 377.802 15.134 399.293 14.203 -21.49149      20.75512 
1 1 1 -6  15 13 o 702.405 12.960 104.610 3.8551 103.930 4.6803  106.045 6.7983 699.890 15.791 706.217 22.731 -6.327820      27.67750 
1 1 1 -6  15 14 o 393.142 12.385 32.767  2.0620 30.743  2.4412  37.805  3.8520 380.696 15.142 421.211 21.668 -40.51486      26.43437 
1 1 1 -6  15 15 o 438.980 13.178 40.862  2.4498 41.495  2.9135  39.333  4.5257 442.247 15.557 429.182 25.008 13.06506       29.45200 
1 1 1 -6  15 16 o 706.713 14.187 105.941 4.2461 105.443 5.0405  107.160 7.8796 704.789 16.888 709.257 26.234 -4.467407      31.19935 
1 1 1 -6  15 17 f 531.182 13.059 59.843  2.9377 57.607  4.6131  61.368  3.8102 520.494 20.928 537.625 16.735 -17.13098      26.79640 
1 1 1 -6  15 18 o 1102.33 16.098 258.017 7.5152 246.343 12.256  265.052 9.5137 1074.43 26.936 1116.39 20.123 -41.96326      33.62243 
1 1 1 -6  15 19 o 371.523 18.932 29.425  2.9689 0.0000  0.0000  29.425  2.9689 ?       ?      371.523 18.932 0.000000       18.93235 
1 1 1 -6  15 20 o 494.888 14.583 51.997  3.0564 53.830  4.8027  50.749  3.9623 502.611 22.563 488.448 19.155 14.16345       29.59772 
1 1 1 -6  15 21 o 668.268 15.598 94.865  4.4142 91.185  7.0573  97.231  5.6576 653.428 25.503 675.893 19.765 -22.46497      32.26603 
1 1 1 -6  15 22 o 302.093 19.415 19.513  2.4706 16.916  3.1709  23.527  3.9415 279.824 27.097 330.124 28.471 -50.29932      39.30500 
1 1 1 -6  15 23 o 629.958 16.269 84.451  4.3402 82.549  6.9021  85.695  5.5820 620.347 26.272 633.579 20.804 -13.23199      33.51191 
1 1 1 -6  15 24 o 332.008 16.328 23.485  2.2957 25.559  3.5803  22.036  2.9916 344.151 24.731 320.033 22.211 24.11740       33.24033 
1 1 1 -6  15 25 o 428.178 19.419 39.220  3.5213 40.812  4.7223  37.225  5.2846 434.382 25.787 413.073 30.424 21.30914       39.88175 
1 1 1 -6  15 26 o 240.412 19.214 12.455  1.9398 8.1193  2.8651  16.124  2.6359 188.878 37.143 272.790 23.032 -83.91183      43.70443 
1 1 1 -6  15 27 o 199.029 28.410 8.8002  2.3267 0.0000  0.0000  8.8002  2.3267 ?       ?      199.029 28.410 0.000000       28.41035 
1 1 1 -6  15 28 o 559.947 20.656 67.712  4.8982 67.879  6.4101  67.476  7.5935 556.675 27.191 550.090 32.744 6.585388       42.56176 
1 1 1 -6  15 29 o 402.729 17.676 34.896  3.0147 35.449  4.5346  34.457  4.0357 400.982 26.859 396.826 24.129 4.156677       36.10582 
1 1 1 -6  15 30 o 298.139 21.321 19.442  2.6742 20.447  3.4676  17.967  4.2007 302.741 27.342 278.218 36.536 24.52316       45.63382 
1 1 1 -6  15 31 o 384.611 21.385 32.399  3.4694 31.910  4.5324  33.091  5.3917 376.808 28.617 379.420 33.912 -2.611389      44.37320 
1 1 1 -6  16 1  o 498.213 18.601 52.821  3.9246 52.123  5.4636  53.566  5.6413 493.015 26.263 499.694 26.755 -6.678619      37.49097 
1 1 1 -6  16 2  o 290.831 18.670 18.076  2.2873 18.771  3.1891  17.339  3.2824 295.194 25.769 283.238 27.720 11.95563       37.84743 
1 1 1 -6  16 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  16 4  o 437.940 17.516 40.799  3.2486 39.428  4.4692  42.334  4.7302 428.850 24.713 444.310 25.243 -15.45978      35.32653 
1 1 1 -6  16 5  o 522.882 17.425 58.153  3.8584 0.0000  0.0000  58.153  3.8584 ?       ?      522.882 17.425 0.000000       17.42464 
1 1 1 -6  16 6  o 638.044 17.383 86.573  4.6970 0.0000  0.0000  86.573  4.6970 ?       ?      638.044 17.383 0.000000       17.38307 
1 1 1 -6  16 7  f 509.032 12.873 54.987  2.7751 52.369  4.5705  56.516  3.4925 495.754 21.770 515.752 15.990 -19.99857      27.01122 
1 1 1 -6  16 8  o 496.779 14.746 52.395  3.1022 52.403  4.3623  52.387  4.4125 496.172 20.761 496.065 21.004 0.1072998      29.53272 
1 1 1 -6  16 9  o 348.166 14.326 25.726  2.1122 29.246  3.0925  22.648  2.8919 370.316 19.791 325.571 21.088 44.74518       28.92023 
1 1 1 -6  16 10 o 1351.88 16.984 388.097 9.7237 403.842 12.068  358.960 16.417 1378.08 20.679 1296.25 29.906 81.83374       36.35914 
1 1 1 -6  16 11 o 816.754 13.472 141.484 4.6598 143.621 5.8221  137.674 7.7725 822.538 16.714 804.455 22.815 18.08289       28.28192 
1 1 1 -6  16 12 o 425.892 12.167 38.454  2.1944 38.484  2.7474  38.403  3.6472 425.906 15.232 425.145 20.257 0.7618713      25.34515 
1 1 1 -6  16 13 o 289.398 12.448 17.756  1.5257 15.649  1.8762  21.867  2.6211 271.070 16.422 320.294 19.415 -49.22406      25.42886 
1 1 1 -6  16 14 o 388.239 10.994 31.947  1.8076 33.028  2.5395  30.838  2.5735 394.574 15.198 381.233 15.940 13.34085       22.02408 
1 1 1 -6  16 15 o 509.263 12.669 54.991  2.7323 57.188  4.4264  53.638  3.4728 518.800 20.147 502.736 16.312 16.06366       25.92228 
1 1 1 -6  16 16 o 285.070 12.922 17.234  1.5600 16.761  2.3833  17.588  2.0635 280.099 20.228 287.325 17.034 -7.225616      26.44472 
1 1 1 -6  16 17 o 1141.73 16.175 276.753 7.8206 270.705 12.813  280.345 9.8731 1126.57 26.856 1148.24 20.304 -21.67285      33.66754 
1 1 1 -6  16 18 o 588.508 13.406 73.484  3.3412 76.250  5.2895  71.647  4.3098 598.629 20.865 580.695 17.525 17.93396       27.24837 
1 1 1 -6  16 19 o 529.494 17.580 59.588  3.9421 0.0000  0.0000  59.588  3.9421 ?       ?      529.494 17.580 0.000000       17.58004 
1 1 1 -6  16 20 o 263.223 15.648 14.768  1.7365 14.832  2.6101  14.718  2.3259 262.674 23.720 262.063 21.137 0.6110535      31.77125 
1 1 1 -6  16 21 f 567.554 15.102 68.421  3.6299 64.916  5.6856  70.832  4.7161 551.453 24.346 576.896 19.304 -25.44330      31.07020 
1 1 1 -6  16 22 o 152.442 23.181 5.0736  1.4494 5.8027  1.8705  3.9782  2.2927 162.232 28.253 133.855 38.428 28.37654       47.69627 
1 1 1 -6  16 23 o 374.654 16.679 29.889  2.6464 29.213  3.9799  30.425  3.5432 368.121 25.690 376.528 22.320 -8.406982      34.03193 
1 1 1 -6  16 24 o 382.624 15.951 31.193  2.5846 34.992  4.0361  28.553  3.3651 403.065 23.750 364.439 21.906 38.62585       32.30989 
1 1 1 -6  16 25 o 613.614 19.496 80.589  5.0662 73.442  6.8865  89.020  7.4796 582.512 27.916 641.511 27.531 -58.99884      39.20795 
1 1 1 -6  16 26 o 315.151 22.697 21.487  3.0089 0.0000  0.0000  21.487  3.0089 ?       ?      315.151 22.697 0.000000       22.69662 
1 1 1 -6  16 27 o 99.635  36.344 1.8778  1.9930 0.0000  0.0000  1.8778  1.9930 ?       ?      99.635  36.344 0.000000       36.34448 
1 1 1 -6  16 28 o 403.390 17.540 34.967  2.9965 35.862  4.5181  34.264  4.0037 403.944 26.559 396.146 23.978 7.798035       35.78173 
1 1 1 -6  16 29 f 328.598 17.921 23.323  2.4844 23.742  3.6479  22.960  3.3929 327.779 26.506 323.049 24.995 4.729279       36.43250 
1 1 1 -6  16 30 f 176.951 21.531 6.9198  1.5802 8.2104  2.1756  5.4785  2.2990 190.515 27.782 151.755 36.267 38.76019       45.68528 
1 1 1 -6  16 31 o 336.980 21.306 24.897  3.0248 24.995  3.9034  24.749  4.7857 333.650 27.881 326.663 35.147 6.987213       44.86284 
1 1 1 -6  17 1  o 974.862 20.548 202.342 8.4831 209.991 11.881  194.387 12.117 990.676 28.318 952.542 30.037 38.13354       41.28109 
1 1 1 -6  17 2  o 843.213 19.548 151.333 6.9806 153.706 9.7633  148.852 9.9845 847.755 27.195 833.926 28.272 13.82922       39.22814 
1 1 1 -6  17 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  17 4  o 848.881 18.792 153.324 6.7556 144.708 9.2400  163.218 9.9021 822.720 26.520 873.678 26.763 -50.95740      37.67712 
1 1 1 -6  17 5  o 827.331 15.024 145.372 5.2638 142.180 8.7305  147.195 6.5978 815.954 25.266 831.809 18.730 -15.85522      31.45089 
1 1 1 -6  17 6  o 681.405 17.450 98.699  5.0356 0.0000  0.0000  98.699  5.0356 ?       ?      681.405 17.450 0.000000       17.45024 
1 1 1 -6  17 7  o 454.532 16.087 43.883  3.0967 0.0000  0.0000  43.883  3.0967 ?       ?      454.532 16.087 0.000000       16.08736 
1 1 1 -6  17 8  o 431.268 15.253 39.485  2.7858 0.0000  0.0000  39.485  2.7858 ?       ?      431.268 15.253 0.000000       15.25290 
1 1 1 -6  17 9  o 535.022 13.099 60.718  2.9678 71.182  5.6928  56.812  3.4778 578.214 23.249 517.317 15.875 60.89673       28.15144 
1 1 1 -6  17 10 o 749.303 13.545 119.088 4.2980 121.983 7.9025  117.872 5.1218 756.871 24.655 745.192 16.230 11.67950       29.51703 
1 1 1 -6  17 11 o 225.314 13.176 10.802  1.2518 11.961  2.2983  10.314  1.4926 235.987 23.301 219.864 16.143 16.12338       28.34684 
1 1 1 -6  17 12 o 423.564 15.459 38.062  2.7731 37.913  3.9839  38.203  3.8623 421.694 22.388 423.407 21.612 -1.712921      31.11779 
1 1 1 -6  17 13 o 266.747 12.420 15.085  1.4031 14.891  2.3242  15.196  1.7599 263.903 20.969 267.177 15.622 -3.273743      26.14877 
1 1 1 -6  17 14 o 948.064 14.360 190.647 5.7654 193.470 9.7081  189.109 7.1660 953.591 24.040 943.782 17.929 9.809387       29.98946 
1 1 1 -6  17 15 o 255.565 17.664 13.934  1.9001 0.0000  0.0000  13.934  1.9001 ?       ?      255.565 17.664 0.000000       17.66418 
1 1 1 -6  17 16 o 211.498 13.372 9.5258  1.1915 9.1566  1.6844  9.8955  1.6856 206.665 19.475 215.010 18.698 -8.344498      26.99856 
1 1 1 -6  17 17 o 568.556 12.047 68.554  2.9006 71.520  4.0886  65.549  4.1156 580.317 16.636 555.478 17.496 24.83911       24.14260 
1 1 1 -6  17 18 o 189.272 19.383 7.6974  1.5317 6.0348  1.8842  10.937  2.6301 165.886 27.806 224.501 28.292 -58.61487      39.66875 
1 1 1 -6  17 19 o 292.829 19.254 18.319  2.3744 0.0000  0.0000  18.319  2.3744 ?       ?      292.829 19.254 0.000000       19.25408 
1 1 1 -6  17 20 o 550.131 14.253 64.254  3.3206 58.828  5.1776  68.045  4.3278 525.229 23.278 565.673 18.066 -40.44434      29.46567 
1 1 1 -6  17 21 o 455.732 15.011 44.121  2.8970 42.661  4.4653  45.182  3.8070 446.435 23.703 460.662 19.514 -14.22742      30.70270 
1 1 1 -6  17 22 o 297.143 18.876 18.887  2.3630 19.530  3.0097  17.853  3.8152 301.302 23.781 286.123 32.036 15.17953       39.89762 
1 1 1 -6  17 23 o 324.583 16.647 22.500  2.2806 22.714  3.3551  22.317  3.1095 324.504 24.597 322.019 22.951 2.485748       33.64193 
1 1 1 -6  17 24 o 283.185 20.965 17.264  2.4963 17.856  2.9982  15.927  4.5072 287.068 24.909 265.708 41.405 21.35968       48.31989 
1 1 1 -6  17 25 o 294.637 16.724 18.592  2.0782 20.222  3.1145  17.285  2.7901 305.457 24.277 282.469 23.538 22.98816       33.81473 
1 1 1 -6  17 26 o 160.219 38.050 5.9184  2.5433 0.0000  0.0000  5.9184  2.5433 ?       ?      160.219 38.050 0.000000       38.04988 
1 1 1 -6  17 27 o 143.435 23.655 4.5701  1.3868 5.0440  1.9665  4.1012  1.9560 148.425 32.211 133.328 34.410 15.09686       47.13355 
1 1 1 -6  17 28 o 612.160 17.487 80.553  4.5333 86.677  7.0747  76.287  5.9049 628.887 26.564 592.142 23.547 36.74481       35.49834 
1 1 1 -6  17 29 o 234.540 18.953 11.957  1.8664 12.659  2.6894  11.304  2.5923 238.254 27.138 224.706 27.836 13.54733       38.87629 
1 1 1 -6  17 30 o 238.684 19.809 12.460  1.9842 11.646  2.8033  13.277  2.8090 226.151 30.011 242.818 27.819 -16.66655      40.92143 
1 1 1 -6  17 31 o 209.007 20.530 9.6087  1.7937 9.6096  2.4853  9.6078  2.5915 205.123 29.455 204.383 30.906 0.7395935      42.69416 
1 1 1 -6  18 1  o 1126.46 21.509 270.145 10.261 284.138 14.393  255.684 14.631 1152.53 29.489 1092.47 31.625 60.05994       43.24030 
1 1 1 -6  18 2  f 441.525 17.874 41.439  3.3421 40.382  4.6186  42.601  4.8423 434.311 25.220 446.022 25.745 -11.71036      36.03964 
1 1 1 -6  18 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -6  18 4  f 420.999 14.367 37.625  2.5615 39.697  4.2298  36.425  3.2189 430.938 23.263 413.898 18.364 17.03955       29.63795 
1 1 1 -6  18 5  o 1029.44 19.474 225.421 8.4899 222.547 11.557  228.790 12.513 1020.81 26.733 1034.41 28.565 -13.59344      39.12310 
1 1 1 -6  18 6  o 364.467 13.401 28.186  2.0684 29.567  3.3701  27.351  2.6198 372.073 21.479 358.788 17.242 13.28506       27.54354 
1 1 1 -6  18 7  o 1000.06 15.115 212.298 6.4016 206.965 10.681  215.287 7.9972 985.133 25.601 1006.40 18.764 -21.26593      31.74126 
1 1 1 -6  18 8  o 397.564 12.203 33.518  2.0546 36.303  3.4812  32.030  2.5452 413.231 19.893 388.458 15.472 24.77286       25.20095 
1 1 1 -6  18 9  o 543.137 11.149 62.537  2.5645 61.150  3.7025  63.816  3.5554 536.724 16.289 548.380 15.310 -11.65515      22.35449 
1 1 1 -6  18 10 o 325.066 11.026 22.399  1.5178 21.441  2.1860  23.290  2.1091 317.422 16.317 331.322 15.032 -13.90030      22.18565 
1 1 1 -6  18 11 o 786.784 11.585 131.222 3.8600 133.427 5.5521  129.160 5.3703 792.910 16.534 780.156 16.255 12.75378       23.18610 
1 1 1 -6  18 12 o 406.841 10.718 35.081  1.8467 37.050  2.6734  33.284  2.5538 417.911 15.106 396.098 15.225 21.81302       21.44694 
1 1 1 -6  18 13 o 610.388 10.965 78.969  2.8343 77.095  3.9996  80.859  4.0171 602.792 15.668 617.354 15.365 -14.56250      21.94458 
1 1 1 -6  18 14 o 197.302 12.572 8.2875  1.0450 7.6981  1.5025  8.8395  1.4542 189.436 18.985 203.354 17.044 -13.91760      25.51285 
1 1 1 -6  18 15 o 977.114 15.308 202.605 6.3342 213.639 11.182  197.392 7.6863 1001.22 26.373 963.923 18.829 37.29980       32.40462 
1 1 1 -6  18 16 o 333.694 12.088 23.613  1.7082 21.849  2.3858  25.470  2.4469 320.229 17.661 346.328 16.683 -26.09894      24.29478 
1 1 1 -6  18 17 o 474.337 12.087 47.720  2.4281 47.515  3.4141  47.930  3.4539 472.932 17.047 474.983 17.171 -2.050964      24.19543 
1 1 1 -6  18 18 o 764.570 16.492 124.188 5.3399 123.941 7.3217  124.469 7.8050 762.692 22.668 764.001 24.123 -1.308594      33.10267 
1 1 1 -6  18 19 f 326.865 13.705 22.678  1.8971 22.105  2.8854  23.114  2.5178 321.466 21.316 329.203 18.129 -7.737610      27.98289 
1 1 1 -6  18 20 o 238.995 16.385 12.195  1.6483 13.292  2.4467  11.284  2.2304 248.527 23.527 228.837 23.342 19.68938       33.14170 
1 1 1 -6  18 21 o 218.664 17.013 10.230  1.5631 10.446  2.3252  10.053  2.1113 219.579 25.478 215.730 23.489 3.848618       34.65365 
1 1 1 -6  18 22 o 266.961 16.515 15.226  1.8579 16.154  2.6678  14.352  2.5890 273.856 23.222 257.864 23.983 15.99197       33.38299 
1 1 1 -6  18 23 o 255.113 22.432 14.045  2.3989 12.736  2.8422  17.289  4.4732 241.450 28.335 278.466 39.002 -37.01631      48.20783 
1 1 1 -6  18 24 o 716.667 19.199 109.853 5.8270 111.725 7.9233  107.647 8.5993 719.760 25.994 705.045 28.801 14.71436       38.79665 
1 1 1 -6  18 25 o 581.466 31.803 74.033  7.8017 0.0000  0.0000  74.033  7.8017 ?       ?      581.466 31.803 0.000000       31.80322 
1 1 1 -6  18 26 o 157.789 19.622 5.4246  1.2829 7.8780  1.8143  2.9717  1.8142 189.738 23.053 115.107 34.496 74.63062       41.48981 
1 1 1 -6  18 27 o 204.913 20.200 9.1397  1.7301 10.686  2.5566  7.8330  2.3500 219.086 28.210 186.147 30.893 32.93909       41.83522 
1 1 1 -6  18 28 o 71.202  26.775 0.8516  1.0963 1.8931  1.5702  -0.1391 1.5315 94.991  32.474 66.861  29.054 28.12952       43.57408 
1 1 1 -6  18 29 o 93.695  27.529 1.9837  1.1645 2.6790  1.6717  1.3284  1.6230 108.327 33.253 86.465  32.565 21.86192       46.54279 
1 1 1 -6  18 30 o 137.173 27.049 4.3134  1.5155 3.5293  2.1645  5.0675  2.1226 122.249 37.889 146.011 34.817 -23.76186      51.45715 
1 1 1 -6  18 31 o 159.564 24.667 5.7386  1.6131 4.6428  2.1720  7.0864  2.4089 139.049 36.443 173.483 34.003 -34.43379      49.84277 
1 1 1 -6  19 1  o 741.177 19.115 116.771 5.9999 113.195 8.3943  120.505 8.5789 728.301 27.216 751.505 26.956 -23.20349      38.30626 
1 1 1 -6  19 2  o 827.898 19.278 145.724 6.7592 152.098 9.4188  138.956 9.7055 844.328 26.341 806.531 28.415 37.79675       38.74671 
1 1 1 -6  19 3  o 821.967 19.215 143.649 6.6887 0.0000  0.0000  143.649 6.6887 ?       ?      821.967 19.215 0.000000       19.21519 
1 1 1 -6  19 4  o 809.721 15.105 139.181 5.1798 141.918 8.5884  137.617 6.4938 815.888 24.856 804.556 19.059 11.33148       31.32217 
1 1 1 -6  19 5  o 848.183 14.830 152.696 5.3267 143.212 8.7929  158.194 6.6950 819.550 25.335 862.778 18.324 -43.22852      31.26657 
1 1 1 -6  19 6  o 929.616 18.419 183.636 7.2511 184.002 9.8029  183.194 10.775 929.182 24.912 926.496 27.463 2.685486       37.07826 
1 1 1 -6  19 7  o 462.751 13.070 45.420  2.5613 45.611  4.1743  45.304  3.2437 463.075 21.286 461.924 16.582 1.151031       26.98200 
1 1 1 -6  19 8  o 696.476 13.206 102.881 3.8952 102.605 6.5360  103.033 4.8507 694.505 22.223 696.677 16.441 -2.171692      27.64337 
1 1 1 -6  19 9  f 579.197 11.201 71.113  2.7473 73.288  3.9930  69.158  3.7859 587.645 16.045 570.877 15.660 16.76837       22.42019 
1 1 1 -6  19 10 o 466.755 10.879 46.177  2.1505 46.895  3.0967  45.507  2.9887 470.130 15.554 463.139 15.238 6.991425       21.77418 
1 1 1 -6  19 11 o 736.845 11.458 115.089 3.5754 119.656 5.1484  110.835 4.9692 750.919 16.190 722.706 16.236 28.21307       22.92846 
1 1 1 -6  19 12 o 672.687 11.182 95.915  3.1855 90.471  4.5450  101.172 4.4661 652.926 16.437 690.568 15.271 -37.64172      22.43646 
1 1 1 -6  19 13 o 1024.01 12.828 222.348 5.5629 221.302 7.8549  223.399 7.8793 1020.88 18.169 1025.71 18.139 -4.829712      25.67355 
1 1 1 -6  19 14 o 111.879 18.093 2.7257  0.8280 2.1076  1.1943  3.2976  1.1489 98.109  27.591 122.530 22.985 -24.42177      35.91059 
1 1 1 -6  19 15 o 802.292 12.239 136.496 4.1583 135.278 5.8362  137.751 5.9263 798.122 17.267 805.371 17.376 -7.248657      24.49622 
1 1 1 -6  19 16 o 216.528 13.685 9.9872  1.2484 8.8638  1.7690  11.102  1.7621 203.066 20.868 227.820 18.421 -24.75458      27.83529 
1 1 1 -6  19 17 o 544.150 12.112 62.806  2.7910 65.133  3.9233  60.421  3.9715 553.705 16.731 533.210 17.588 20.49445       24.27460 
1 1 1 -6  19 18 o 535.599 15.656 60.931  3.5512 63.792  4.7916  57.445  5.2895 547.400 20.670 518.959 24.068 28.44073       31.72549 
1 1 1 -6  19 19 o 394.655 13.935 33.065  2.3290 35.286  3.5639  31.408  3.0769 406.542 20.769 384.230 18.910 22.31213       28.08810 
1 1 1 -6  19 20 o 188.148 17.445 7.5919  1.3742 7.9906  1.9352  7.1865  1.9517 191.955 24.354 181.538 26.140 10.41684       35.72676 
1 1 1 -6  19 21 o 709.303 14.914 106.928 4.4798 104.342 7.0635  108.668 5.7943 698.652 23.873 714.191 19.158 -15.53827      30.60964 
1 1 1 -6  19 22 o 204.520 20.442 9.0198  1.7469 9.8411  2.0809  7.0599  3.2145 213.139 23.442 175.847 43.423 37.29192       49.34661 
1 1 1 -6  19 23 o 299.588 19.976 19.276  2.5199 19.105  3.0334  19.655  4.5262 297.256 24.309 297.729 36.673 -0.4732971     43.99862 
1 1 1 -6  19 24 o 253.935 32.453 14.273  3.4102 0.0000  0.0000  14.273  3.4102 ?       ?      253.935 32.453 0.000000       32.45340 
1 1 1 -6  19 25 o 393.749 22.203 33.457  3.6872 0.0000  0.0000  33.457  3.6872 ?       ?      393.749 22.203 0.000000       22.20270 
1 1 1 -6  19 26 o 424.127 16.539 38.502  2.9707 40.981  4.5239  36.624  3.9389 434.055 24.713 411.116 22.712 22.93896       33.56451 
1 1 1 -6  19 27 o 269.610 17.485 15.682  1.9857 17.031  2.9069  14.503  2.7188 278.430 24.916 256.610 25.350 21.81961       35.54490 
1 1 1 -6  19 28 o 193.373 20.719 8.1845  1.6703 9.2174  2.4308  7.2605  2.2991 202.295 29.221 178.219 31.620 24.07571       43.05404 
1 1 1 -6  19 29 o 243.251 19.756 12.919  2.0176 15.268  2.9371  10.821  2.7763 261.345 26.923 217.720 30.985 43.62489       41.04783 
1 1 1 -6  19 30 o 120.309 28.383 3.3602  1.4227 3.8642  1.9608  2.8000  2.0675 127.382 35.185 111.054 37.267 16.32848       51.25259 
1 1 1 -6  20 1  o 574.294 18.220 70.059  4.4313 65.953  6.1673  74.442  6.3714 556.268 26.180 591.092 25.453 -34.82428      36.51340 
1 1 1 -6  20 2  o 245.647 19.690 12.908  2.0311 12.678  2.8724  13.138  2.8725 242.076 28.570 246.583 28.004 -4.507324      40.00573 
1 1 1 -6  20 3  o 138.587 27.370 4.2386  1.5494 0.0000  0.0000  4.2386  1.5494 ?       ?      138.587 27.370 0.000000       27.37049 
1 1 1 -6  20 4  o 183.666 17.408 7.2283  1.3379 5.4809  2.1657  8.3067  1.7013 157.076 33.575 196.561 20.752 -39.48557      39.47075 
1 1 1 -6  20 5  o 535.686 13.717 60.875  3.1119 59.554  5.1303  61.644  3.9143 528.967 22.902 538.778 17.155 -9.810730      28.61455 
1 1 1 -6  20 6  o 669.395 13.715 95.051  3.8880 92.047  6.3381  96.864  4.9230 657.699 22.756 675.400 17.212 -17.70099      28.53179 
1 1 1 -6  20 7  o 580.352 16.095 71.488  3.9556 74.255  5.3036  68.018  5.9382 590.965 21.192 565.169 24.810 25.79565       32.62893 
1 1 1 -6  20 8  o 580.207 13.461 71.396  3.3075 72.270  4.0418  69.623  5.7544 583.528 16.356 571.995 23.755 11.53253       28.84148 
1 1 1 -6  20 9  o 998.001 15.253 211.314 6.4466 199.021 7.8797  236.197 11.211 967.977 19.222 1053.35 25.131 -85.37744      31.63941 
1 1 1 -6  20 10 o 1244.69 14.219 328.598 7.4953 326.206 10.690  330.910 10.512 1239.06 20.373 1248.06 19.888 -9.002686      28.47104 
1 1 1 -6  20 11 o 874.646 12.118 162.184 4.4885 161.107 6.4308  163.206 6.2676 871.172 17.431 876.899 16.878 -5.726929      24.26282 
1 1 1 -6  20 12 o 578.770 11.061 71.003  2.7110 68.030  3.8677  73.875  3.8010 566.189 16.131 590.084 15.210 -23.89502      22.17086 
1 1 1 -6  20 13 o 290.125 11.550 17.845  1.4191 17.351  1.9959  18.349  2.0181 285.424 16.583 293.575 16.296 -8.150940      23.25028 
1 1 1 -6  20 14 o 225.265 12.719 10.796  1.2084 8.5736  1.7392  12.870  1.6803 199.729 20.870 245.693 16.240 -45.96375      26.44424 
1 1 1 -6  20 15 o 443.454 13.730 41.722  2.5785 35.943  4.8569  43.991  3.0427 409.351 28.188 455.204 15.784 -45.85284      32.30658 
1 1 1 -6  20 16 o 632.644 11.964 84.888  3.2052 78.651  4.4894  91.372  4.5777 608.403 17.424 655.880 16.481 -47.47711      23.98375 
1 1 1 -6  20 17 o 524.574 12.219 58.375  2.7145 61.011  3.8496  55.768  3.8281 535.831 16.965 512.215 17.648 23.61566       24.47949 
1 1 1 -6  20 18 o 217.290 16.976 10.096  1.5498 11.129  1.8516  7.6778  2.8321 227.890 19.369 185.556 37.334 42.33356       42.05927 
1 1 1 -6  20 19 o 656.619 13.930 91.536  3.8735 92.810  6.1280  90.689  4.9988 659.880 21.929 652.980 18.077 6.899963       28.41890 
1 1 1 -6  20 20 o 490.356 13.746 51.060  2.8545 49.600  4.3847  52.133  3.7606 482.305 21.467 494.987 17.940 -12.68182      27.97639 
1 1 1 -6  20 21 o 662.570 17.113 93.454  4.8019 102.781 6.5338  82.500  7.0809 693.573 22.245 620.086 26.965 73.48712       34.95617 
1 1 1 -6  20 22 o 843.428 18.335 151.765 6.5489 142.747 8.8865  162.483 9.6885 815.031 25.746 869.262 26.319 -54.23096      36.81755 
1 1 1 -6  20 23 o 126.362 38.097 3.5546  2.2079 0.0000  0.0000  3.5546  2.2079 ?       ?      126.362 38.097 0.000000       38.09698 
1 1 1 -6  20 24 o 299.621 23.740 19.448  2.9877 0.0000  0.0000  19.448  2.9877 ?       ?      299.621 23.740 0.000000       23.74043 
1 1 1 -6  20 25 f 488.012 16.453 50.902  3.4004 50.570  5.1745  51.154  4.5113 482.700 25.402 487.491 21.852 -4.790375      33.50807 
1 1 1 -6  20 26 o 529.763 16.530 60.122  3.7084 62.249  5.6338  58.497  4.9262 535.153 24.859 520.056 22.367 15.09711       33.44051 
1 1 1 -6  20 27 o 224.930 18.171 10.959  1.7161 9.7365  2.4542  12.129  2.4006 208.490 28.546 234.629 24.523 -26.13895      37.63265 
1 1 1 -6  20 28 o 344.824 16.971 25.584  2.4783 30.013  3.7267  22.073  3.3184 369.895 23.918 316.502 24.960 53.39279       34.56987 
1 1 1 -6  20 29 o 254.178 19.101 14.089  2.0410 12.837  2.9640  15.219  2.8146 237.510 30.147 261.201 25.781 -23.69019      39.66768 
1 1 1 -6  20 30 o 238.346 20.344 12.475  2.0338 13.684  2.9894  11.433  2.7750 245.165 29.378 223.483 30.085 21.68205       42.04971 
1 1 1 -6  21 1  o 265.752 19.988 15.091  2.2330 17.156  3.1879  13.102  3.1288 282.470 26.977 245.861 30.721 36.60896       40.88433 
1 1 1 -6  21 2  o 588.006 14.962 73.360  3.7257 68.188  6.1972  76.288  4.6624 565.753 25.866 599.315 18.370 -33.56177      31.72539 
1 1 1 -6  21 3  o 299.205 19.526 19.103  2.4606 0.0000  0.0000  19.103  2.4606 ?       ?      299.205 19.526 0.000000       19.52631 
1 1 1 -6  21 4  o 517.654 24.676 57.059  5.4095 0.0000  0.0000  57.059  5.4095 ?       ?      517.654 24.676 0.000000       24.67614 
1 1 1 -6  21 5  o 401.464 13.482 34.184  2.2921 32.996  3.6987  34.925  2.9205 393.238 22.302 405.591 17.003 -12.35272      28.04395 
1 1 1 -6  21 6  f 832.012 14.410 146.851 5.0773 149.354 8.3799  145.399 6.3821 837.765 23.620 827.432 18.213 10.33289       29.82632 
1 1 1 -6  21 7  o 423.471 12.904 38.027  2.3142 37.693  3.7755  38.227  2.9289 420.559 21.267 424.405 16.296 -3.845428      26.79302 
1 1 1 -6  21 8  o 273.373 12.413 15.845  1.4371 16.058  2.0898  15.654  1.9795 274.410 18.084 271.003 17.339 3.407898       25.05310 
1 1 1 -6  21 9  o 933.636 14.779 184.910 5.8433 183.149 7.1642  188.411 10.100 928.739 18.215 940.769 25.350 -12.02966      31.21538 
1 1 1 -6  21 10 o 936.258 14.661 185.945 5.8131 185.130 7.1165  187.578 10.077 933.780 17.996 938.688 25.350 -4.908203      31.08845 
1 1 1 -6  21 11 o 1126.35 15.664 269.197 7.4719 260.382 9.1773  286.530 12.869 1107.10 19.574 1159.85 26.199 -52.75513      32.70382 
1 1 1 -6  21 12 o 803.537 11.779 136.888 4.0082 131.588 5.6842  142.128 5.6528 787.296 17.049 818.309 16.312 -31.01349      23.59515 
1 1 1 -6  21 13 o 90.189  21.645 1.7994  0.8162 2.0097  1.0816  1.5213  1.2438 95.578  26.022 86.832  28.903 8.745552       38.89116 
1 1 1 -6  21 14 o 350.647 11.511 26.070  1.7094 26.354  2.4421  25.798  2.3934 352.306 16.368 348.577 16.214 3.729736       23.03906 
1 1 1 -6  21 15 o 886.132 12.599 166.564 4.7280 164.309 6.6611  168.854 6.7119 879.322 17.888 891.418 17.780 -12.09607      25.22077 
1 1 1 -6  21 16 o 609.017 12.100 78.676  3.1209 74.242  4.3967  83.178  4.4306 591.030 17.566 625.696 16.721 -34.66620      24.25183 
1 1 1 -6  21 17 o 739.174 12.577 115.930 3.9369 112.540 5.5607  119.336 5.5746 727.501 18.049 749.229 17.569 -21.72797      25.18822 
1 1 1 -6  21 18 o 782.864 30.686 131.421 10.173 131.421 10.173  0.0000  0.0000 782.864 30.686 ?       ?      0.000000       30.68586 
1 1 1 -6  21 19 f 578.344 16.365 71.098  4.0083 74.782  5.4868  66.881  5.8696 592.247 21.876 559.548 24.770 32.69836       33.04733 
1 1 1 -6  21 20 o 306.514 17.905 20.066  2.3141 22.185  2.9813  16.855  3.6702 321.665 22.018 278.125 31.729 43.53934       38.62004 
1 1 1 -6  21 21 o 341.210 18.043 24.882  2.5979 24.171  3.3578  25.941  4.1007 335.143 23.813 346.163 28.218 -11.02078      36.92296 
1 1 1 -6  21 22 o 363.058 29.160 28.656  4.4455 0.0000  0.0000  28.656  4.4455 ?       ?      363.058 29.160 0.000000       29.15980 
1 1 1 -6  21 23 o 396.792 20.462 33.820  3.4266 0.0000  0.0000  33.820  3.4266 ?       ?      396.792 20.462 0.000000       20.46170 
1 1 1 -6  21 24 o 567.764 15.679 68.794  3.7699 75.432  5.7441  63.770  4.9965 591.915 22.915 544.718 21.660 47.19696       31.53157 
1 1 1 -6  21 25 o 243.294 18.334 12.760  1.8751 12.372  2.6585  13.144  2.6451 237.124 26.952 244.840 25.903 -7.716553      37.38216 
1 1 1 -6  21 26 o 398.644 16.678 34.085  2.8155 35.585  4.2043  32.864  3.7912 403.567 24.719 388.521 23.147 15.04663       33.86459 
1 1 1 -6  21 27 o 191.987 20.306 8.0561  1.6259 7.9039  2.2494  8.2227  2.3529 187.074 29.360 190.569 30.159 -3.495377      42.08973 
1 1 1 -6  21 28 o 343.777 17.322 25.535  2.5138 24.280  3.7441  26.565  3.3920 330.544 26.982 347.964 23.151 -17.41962      35.55289 
1 1 1 -6  21 29 o 138.509 23.777 4.3292  1.3445 5.3092  1.8031  3.1020  2.0177 151.682 29.128 115.426 36.698 36.25541       46.85295 
1 1 1 -6  21 30 o 276.695 19.153 16.728  2.2305 15.123  3.2192  18.209  3.0934 257.290 30.114 285.203 25.894 -27.91287      39.71605 
1 1 1 -6  22 1  o 323.395 19.028 22.289  2.5945 22.016  3.6369  22.571  3.7025 320.348 27.061 324.365 27.205 -4.016876      38.37196 
1 1 1 -6  22 2  o 266.070 16.831 15.086  1.8868 14.805  3.1311  15.247  2.3642 261.968 28.692 267.006 21.080 -5.038422      35.60359 
1 1 1 -6  22 3  o 274.654 15.172 16.053  1.7578 11.820  2.8408  18.680  2.2377 233.603 29.364 296.067 17.932 -62.46362      34.40622 
1 1 1 -6  22 4  o 355.039 17.068 26.758  2.5663 27.079  3.5006  26.386  3.7733 356.019 23.347 351.096 25.553 4.923248       34.61306 
1 1 1 -6  22 5  o 287.963 14.985 17.640  1.8211 15.672  2.8846  18.944  2.3483 270.117 25.519 298.079 18.697 -27.96237      31.63567 
1 1 1 -6  22 6  o 603.787 13.531 77.314  3.4600 78.500  5.6696  76.610  4.3676 607.617 22.033 600.748 17.167 6.869263       27.93180 
1 1 1 -6  22 7  o 375.003 12.921 29.819  2.0519 27.447  3.3389  31.259  2.6011 358.618 22.093 383.805 16.003 -25.18607      27.27964 
1 1 1 -6  22 8  o 377.151 13.121 30.163  2.0957 31.270  3.4886  29.538  2.6214 382.938 21.600 373.060 16.593 9.877716       27.23718 
1 1 1 -6  22 9  o 831.890 17.036 146.896 6.0018 148.631 8.3274  145.021 8.6578 835.861 23.525 825.438 24.767 10.42316       34.15922 
1 1 1 -6  22 10 o 588.026 11.320 73.297  2.8188 71.440  4.0799  74.994  3.8990 580.157 16.606 594.505 15.487 -14.34802      22.70677 
1 1 1 -6  22 11 o 238.076 15.363 12.077  1.5407 11.316  1.9030  13.524  2.6247 229.937 19.734 250.792 25.048 -20.85561      31.88777 
1 1 1 -6  22 12 f 479.266 13.355 48.719  2.7105 46.733  3.3657  52.384  4.5722 469.154 16.940 496.276 21.755 -27.12204      27.57248 
1 1 1 -6  22 13 o 186.417 18.085 7.4516  1.4098 7.7327  1.7518  6.9349  2.3750 189.339 22.273 177.259 32.848 12.07948       39.68721 
1 1 1 -6  22 14 o 369.963 13.729 29.042  2.1510 29.547  2.7010  28.166  3.5567 372.954 17.101 362.908 23.265 10.04642       28.87373 
1 1 1 -6  22 15 o 426.547 14.084 38.616  2.5441 36.688  3.2195  41.823  4.1514 415.423 18.300 443.140 22.121 -27.71661      28.70944 
1 1 1 -6  22 16 o 603.150 13.899 77.220  3.5502 76.427  4.3976  78.705  6.0158 599.638 17.318 607.558 23.381 -7.919373      29.09569 
1 1 1 -6  22 17 o 461.154 14.509 45.158  2.8336 45.627  3.5238  44.299  4.7667 463.195 17.964 454.851 24.840 8.343536       30.65512 
1 1 1 -6  22 18 o 350.044 21.252 26.204  3.1355 31.925  5.3301  23.176  3.8774 384.000 33.100 327.843 28.202 56.15747       43.48492 
1 1 1 -6  22 19 f 403.168 14.457 34.528  2.4684 37.414  3.8777  32.562  3.2007 418.241 21.970 391.030 19.328 27.21039       29.26159 
1 1 1 -6  22 20 o 370.070 27.548 29.553  4.2865 0.0000  0.0000  29.553  4.2865 ?       ?      370.070 27.548 0.000000       27.54843 
1 1 1 -6  22 21 o 157.734 34.794 5.6095  2.2618 0.0000  0.0000  5.6095  2.2618 ?       ?      157.734 34.794 0.000000       34.79433 
1 1 1 -6  22 22 o 659.811 14.893 92.720  4.1615 95.603  6.5580  90.776  5.3844 667.242 23.208 651.508 19.515 15.73370       30.32287 
1 1 1 -6  22 23 o 277.925 16.629 16.549  1.9483 16.600  2.8068  16.502  2.7065 276.562 24.209 275.965 23.378 0.5965881      33.65421 
1 1 1 -6  22 24 o 520.992 15.549 57.946  3.4306 60.838  5.2248  55.754  4.5484 531.184 23.226 509.311 21.088 21.87335       31.37128 
1 1 1 -6  22 25 o 348.759 16.601 26.044  2.4519 26.147  3.5330  25.948  3.4056 346.503 24.229 345.492 23.414 1.010925       33.69374 
1 1 1 -6  22 26 o 140.747 23.464 4.4150  1.3494 5.1201  1.8434  3.6013  1.9805 149.760 30.110 124.750 35.687 25.00962       46.69202 
1 1 1 -6  22 27 o 132.433 22.837 3.9186  1.2346 3.9768  1.6707  3.8486  1.8324 131.270 30.615 128.583 33.363 2.687042       45.28091 
1 1 1 -6  22 28 f 202.053 19.842 8.9414  1.6759 10.030  2.3129  7.7381  2.4317 211.546 26.392 182.784 32.611 28.76183       41.95212 
1 1 1 -6  22 29 o 406.176 17.109 35.688  2.9430 34.137  4.4607  36.883  3.9162 390.247 27.161 409.100 22.694 -18.85306      35.39338 
1 1 1 -6  22 30 o 196.316 20.868 8.5139  1.7083 7.9851  2.3895  9.0667  2.4434 185.300 31.582 198.518 29.999 -13.21719      43.55879 
1 1 1 -6  23 1  o 294.518 20.470 18.518  2.5373 20.093  3.3569  16.420  3.8752 306.086 26.148 275.142 33.979 30.94440       42.87532 
1 1 1 -6  23 2  o 456.266 17.753 44.197  3.4304 45.334  4.6352  42.819  5.1007 461.011 23.823 447.522 27.041 13.48901       36.03807 
1 1 1 -6  23 3  o 88.759  26.875 1.6874  1.0970 3.3247  1.7689  0.6643  1.3983 122.715 33.223 75.230  29.709 47.48488       44.56905 
1 1 1 -6  23 4  o 350.787 17.243 26.121  2.5616 25.166  3.3745  27.419  3.9350 343.176 23.358 357.878 26.145 -14.70197      35.05929 
1 1 1 -6  23 5  o 299.871 14.576 19.075  1.8510 19.841  2.9242  18.563  2.3910 304.589 22.836 295.002 19.244 9.587097       29.86343 
1 1 1 -6  23 6  o 509.440 13.338 55.037  2.8776 50.772  4.6400  57.702  3.6682 488.635 22.423 521.415 16.612 -32.77997      27.90606 
1 1 1 -6  23 7  o 510.021 11.619 55.142  2.5097 52.605  3.5984  57.546  3.5020 497.820 17.069 520.760 15.879 -22.94052      23.31287 
1 1 1 -6  23 8  o 831.622 12.461 146.637 4.3884 143.378 6.2931  149.722 6.1228 821.723 18.084 839.815 17.216 -18.09204      24.96814 
1 1 1 -6  23 9  o 484.896 15.853 49.896  3.2554 49.151  4.5028  50.712  4.7121 480.760 22.116 488.273 22.788 -7.513214      31.75551 
1 1 1 -6  23 10 o 609.715 12.901 78.836  3.3311 75.796  5.7832  80.345  4.0750 596.878 22.879 615.305 15.639 -18.42737      27.71305 
1 1 1 -6  23 11 o 689.671 16.045 100.963 4.6861 0.0000  0.0000  100.963 4.6861 ?       ?      689.671 16.045 0.000000       16.04465 
1 1 1 -6  23 12 o 203.618 15.805 8.8539  1.3522 3.4777  2.4590  11.184  1.6189 127.985 40.494 228.883 16.819 -100.8984      43.84842 
1 1 1 -6  23 13 o 444.974 13.176 42.005  2.4829 37.536  4.3826  44.118  3.0130 418.911 24.815 455.850 15.608 -36.93948      29.31488 
1 1 1 -6  23 14 o 389.830 13.683 32.249  2.2590 27.342  4.3148  34.102  2.6514 356.467 28.829 400.740 15.623 -44.27255      32.79025 
1 1 1 -6  23 15 o 653.396 14.140 90.627  3.9128 88.821  7.2609  91.366  4.6449 644.804 26.590 655.727 16.727 -10.92236      31.41362 
1 1 1 -6  23 16 o 957.692 15.580 194.837 6.3187 189.053 11.445  197.374 7.5785 939.719 28.758 963.250 18.578 -23.53082      34.23710 
1 1 1 -6  23 17 o 183.523 23.086 7.2951  1.7545 10.444  4.5074  6.7327  1.9048 214.231 50.506 175.568 26.439 38.66255       57.00731 
1 1 1 -6  23 18 o 669.529 20.036 95.481  5.6810 83.528  8.6510  104.543 7.5328 622.282 32.945 699.325 25.435 -77.04199      41.62086 
1 1 1 -6  23 19 o 203.069 30.687 9.0578  2.5567 0.0000  0.0000  9.0578  2.5567 ?       ?      203.069 30.687 0.000000       30.68745 
1 1 1 -6  23 20 o 315.998 19.420 21.382  2.5863 0.0000  0.0000  21.382  2.5863 ?       ?      315.998 19.420 0.000000       19.42013 
1 1 1 -6  23 21 f 122.937 24.342 3.3561  1.2225 4.2327  1.8478  2.6737  1.6302 136.997 32.364 110.076 32.635 26.92190       45.96154 
1 1 1 -6  23 22 o 201.269 18.854 8.7372  1.5883 8.5939  2.3935  8.8500  2.1231 197.018 29.602 201.086 25.505 -4.068802      39.07415 
1 1 1 -6  23 23 o 358.024 17.816 27.417  2.7013 22.459  3.3450  36.713  4.5801 321.649 24.747 411.022 26.453 -89.37292      36.22377 
1 1 1 -6  23 24 o 316.904 16.394 21.529  2.1926 24.900  3.2153  18.598  2.9978 339.098 22.518 292.252 24.446 46.84555       33.23686 
1 1 1 -6  23 25 o 415.571 16.135 36.993  2.8396 36.310  4.1764  37.580  3.8723 408.103 24.275 416.246 22.046 -8.143799      32.79144 
1 1 1 -6  23 26 o 86.209  29.013 1.5620  1.2531 0.2169  1.6860  3.2220  1.8730 73.808  31.239 118.305 34.957 -44.49650      46.88140 
1 1 1 -6  23 27 o 67.218  23.118 0.9091  0.7961 1.4439  1.0879  0.2926  1.1679 82.179  27.016 63.751  26.420 18.42802       37.78693 
1 1 1 -6  23 28 o 178.720 20.718 7.0473  1.5390 8.9322  2.1327  4.9998  2.2229 199.412 25.864 144.543 36.350 54.86931       44.61238 
1 1 1 -6  23 29 o 78.876  27.074 1.3030  1.0916 0.9624  1.3813  1.8695  1.7814 77.014  29.784 95.269  34.421 -18.25488      45.51781 
1 1 1 -6  24 1  o 193.304 26.031 8.0979  2.0768 0.0000  0.0000  8.0979  2.0768 ?       ?      193.304 26.031 0.000000       26.03070 
1 1 1 -6  24 2  o 423.558 24.210 38.296  4.3246 38.296  4.3246  0.0000  0.0000 423.558 24.210 ?       ?      0.000000       24.21010 
1 1 1 -6  24 3  o 93.475  30.940 1.7725  1.4261 1.1975  1.7536  2.8952  2.4504 88.974  33.770 120.185 40.571 -31.21115      52.78633 
1 1 1 -6  24 4  o 430.525 17.239 39.346  3.1431 44.955  4.1736  31.997  4.7772 459.879 21.430 386.220 29.429 73.65866       36.40503 
1 1 1 -6  24 5  o 132.238 29.094 3.8741  1.5851 1.6715  1.9531  8.1236  2.7129 98.334  35.963 192.031 34.633 -93.69693      49.92765 
1 1 1 -6  24 6  o 474.932 13.325 47.835  2.6800 48.880  4.3381  47.189  3.4082 479.519 21.362 471.485 17.069 8.034271       27.34424 
1 1 1 -6  24 7  o 397.843 11.796 33.556  1.9874 30.915  2.8276  36.134  2.7939 381.587 17.498 412.633 15.988 -31.04584      23.70238 
1 1 1 -6  24 8  o 728.445 12.065 112.505 3.7220 111.880 5.3666  113.084 5.1665 725.903 17.457 729.881 16.715 -3.977966      24.16919 
1 1 1 -6  24 9  o 317.027 12.117 21.311  1.6269 22.515  2.5104  20.438  2.1362 325.069 18.310 309.871 16.336 15.19833       24.53818 
1 1 1 -6  24 10 o 490.717 11.278 51.052  2.3438 50.531  3.3923  51.528  3.2421 487.871 16.419 492.728 15.537 -4.857025      22.60517 
1 1 1 -6  24 11 o 478.948 11.465 48.638  2.3255 46.031  3.3872  50.962  3.1985 465.547 17.180 489.995 15.414 -24.44717      23.08143 
1 1 1 -6  24 12 o 194.228 15.221 8.0571  1.2419 7.5504  1.9399  8.4090  1.6167 186.532 25.202 197.916 19.544 -11.38475      31.89225 
1 1 1 -6  24 13 o 440.867 13.221 41.240  2.4685 39.096  4.3871  42.233  2.9860 427.532 24.331 445.949 15.811 -18.41684      29.01710 
1 1 1 -6  24 14 o 159.602 20.336 5.5080  1.3432 3.5980  2.9086  6.0257  1.5144 132.242 44.204 166.776 21.977 -34.53328      49.36570 
1 1 1 -6  24 15 o 436.272 18.116 40.478  3.3471 36.070  5.2849  43.430  4.3250 409.059 30.732 450.780 22.729 -41.72067      38.22396 
1 1 1 -6  24 16 o 505.927 19.092 54.473  4.0905 46.302  6.2561  60.575  5.4063 463.259 32.086 532.739 23.963 -69.47946      40.04697 
1 1 1 -6  24 17 f 311.409 15.877 20.662  2.0869 19.974  2.5913  21.933  3.5205 305.582 20.137 319.200 26.277 -13.61896      33.10518 
1 1 1 -6  24 18 o 473.589 15.953 47.683  3.1996 50.684  6.9115  46.864  3.6097 483.732 33.954 469.227 18.166 14.50491       38.50764 
1 1 1 -6  24 19 o 278.524 15.330 16.547  1.8012 13.441  2.8703  18.565  2.3134 248.713 27.723 294.573 18.640 -45.86015      33.40738 
1 1 1 -6  24 20 o 367.527 14.729 28.740  2.2925 35.985  3.6088  23.838  2.9684 409.742 20.866 333.222 21.145 76.52002       29.70692 
1 1 1 -6  24 21 f 311.172 15.266 20.629  2.0118 23.878  3.1354  18.355  2.6229 332.893 22.370 291.919 21.365 40.97415       30.93365 
1 1 1 -6  24 22 o 91.424  27.477 1.8303  1.1498 1.7540  1.8068  1.8822  1.4906 96.387  34.687 95.060  31.641 1.326851       46.95028 
1 1 1 -6  24 23 o 195.347 19.672 8.2655  1.6052 8.6343  2.0008  7.5993  2.6892 198.565 24.301 182.609 36.054 15.95609       43.47911 
1 1 1 -6  24 24 o 339.527 15.648 24.646  2.2499 25.450  3.2684  23.922  3.1018 342.519 22.660 332.204 22.175 10.31454       31.70568 
1 1 1 -6  24 25 o 197.922 18.962 8.5132  1.5699 12.166  2.1940  4.6812  2.2473 235.899 22.224 141.429 37.070 94.46988       43.22158 
1 1 1 -6  24 26 o 162.191 22.613 5.8261  1.5110 7.2587  2.0686  4.1876  2.2123 179.417 28.152 133.449 37.559 45.96719       46.93811 
1 1 1 -6  24 27 o 92.804  28.167 1.9359  1.2040 2.3511  1.6200  1.4236  1.7994 102.452 32.917 89.985  34.195 12.46635       47.46360 
1 1 1 -6  24 28 o 81.620  26.160 1.4638  1.0237 1.2935  1.3706  1.6786  1.5396 82.120  30.111 90.214  32.066 -8.093567      43.98817 
1 1 1 -6  24 29 o 218.824 26.400 10.816  2.3971 10.241  2.6916  13.020  5.2696 210.356 31.157 218.234 56.556 -7.877945      64.57013 
1 1 1 -6  25 1  o 390.430 26.759 32.627  4.3977 0.0000  0.0000  32.627  4.3977 ?       ?      390.430 26.759 0.000000       26.75861 
1 1 1 -6  25 2  o 475.234 18.431 47.964  3.7093 0.0000  0.0000  47.964  3.7093 ?       ?      475.234 18.431 0.000000       18.43069 
1 1 1 -6  25 3  o 549.267 18.129 64.066  4.2170 0.0000  0.0000  64.066  4.2170 ?       ?      549.267 18.129 0.000000       18.12929 
1 1 1 -6  25 4  o 422.431 25.897 38.149  4.6105 0.0000  0.0000  38.149  4.6105 ?       ?      422.431 25.897 0.000000       25.89701 
1 1 1 -6  25 5  o 456.864 16.609 44.305  3.2134 44.292  4.2181  44.323  4.9605 456.392 21.824 455.447 25.825 0.9445801      33.81153 
1 1 1 -6  25 6  o 666.862 16.423 94.394  4.6380 87.387  6.3544  102.382 6.7849 640.832 23.414 693.682 23.096 -52.84967      32.88876 
1 1 1 -6  25 7  o 891.825 14.785 168.753 5.5840 168.455 6.9798  169.283 9.3074 890.527 18.508 891.623 24.649 -1.095947      30.82396 
1 1 1 -6  25 8  o 639.625 13.928 86.790  3.7728 89.040  4.7252  82.834  6.2662 647.543 17.231 623.779 23.721 23.76440       29.31880 
1 1 1 -6  25 9  o 551.027 13.587 64.410  3.1705 64.366  4.0322  64.481  5.1315 550.527 17.295 550.514 22.011 0.1269531E-01  27.99255 
1 1 1 -6  25 10 o 662.367 13.531 93.076  3.7955 89.014  4.7634  100.140 6.2816 647.353 17.375 686.029 21.621 -38.67609      27.73791 
1 1 1 -6  25 11 o 1136.14 19.552 274.478 9.4073 274.478 9.4073  0.0000  0.0000 1136.14 19.552 ?       ?      0.000000       19.55191 
1 1 1 -6  25 12 f 176.432 18.856 6.6934  1.3871 6.8325  1.9312  6.5452  1.9935 176.981 26.588 172.831 28.210 4.150070       38.76535 
1 1 1 -6  25 13 o 604.320 13.556 77.508  3.4694 75.629  4.3166  80.939  5.8309 596.543 17.087 616.331 22.340 -19.78857      28.12510 
1 1 1 -6  25 14 o 296.284 15.211 18.694  1.9022 18.688  2.5068  18.701  2.9206 295.611 20.144 295.179 23.560 0.4320984      30.99762 
1 1 1 -6  25 15 o 523.908 14.266 58.285  3.1652 56.842  3.9456  60.889  5.3014 516.948 18.023 534.205 23.434 -17.25696      29.56279 
1 1 1 -6  25 16 o 631.256 12.224 84.559  3.2678 79.646  4.6562  89.328  4.5873 611.879 17.969 648.208 16.711 -36.32892      24.53845 
1 1 1 -6  25 17 o 360.550 17.302 27.653  2.6418 27.251  3.4407  28.229  4.1236 356.593 22.905 362.111 27.086 -5.518555      35.47256 
1 1 1 -6  25 18 f 469.522 16.771 46.908  3.3347 47.271  4.4996  46.465  4.9668 470.407 22.587 465.194 25.307 5.212158       33.92067 
1 1 1 -6  25 19 o 210.434 17.307 9.4974  1.5286 6.9197  2.3250  11.460  2.0288 176.266 32.338 230.663 20.999 -54.39641      38.55817 
1 1 1 -6  25 20 o 338.386 15.033 24.382  2.1543 21.773  3.3545  26.212  2.8105 317.239 25.176 349.770 19.046 -32.53052      31.56852 
1 1 1 -6  25 21 o 186.070 23.885 7.5666  1.8387 0.0000  0.0000  7.5666  1.8387 ?       ?      186.070 23.885 0.000000       23.88549 
1 1 1 -6  25 22 o 348.864 15.214 25.964  2.2477 27.233  3.4523  25.031  2.9613 354.850 23.099 340.881 20.610 13.96838       30.95742 
1 1 1 -6  25 23 o 223.883 18.395 10.814  1.7286 9.2530  2.1993  13.337  2.7962 205.050 25.905 246.274 27.268 -41.22340      37.61102 
1 1 1 -6  25 24 o 273.617 16.429 16.096  1.8948 18.085  2.6512  14.019  2.7092 288.462 21.865 252.481 25.696 35.98143       33.73946 
1 1 1 -6  25 25 o 794.711 16.041 135.548 5.3987 137.395 8.4043  134.250 7.0444 792.514 25.041 787.027 21.135 5.487061       32.76828 
1 1 1 -6  25 26 o 358.418 16.482 27.627  2.5017 33.607  3.5650  21.826  3.5115 392.642 21.522 313.690 26.686 78.95181       34.28335 
1 1 1 -6  25 27 o 248.998 18.477 13.498  1.9345 12.522  2.6918  14.541  2.7819 235.922 27.456 255.114 26.117 -19.19243      37.89368 
1 1 1 -6  25 28 o 34.700  16.867 -1.3337 0.7855 -1.9328 0.9764  -0.2345 1.3226 36.852  18.101 60.470  26.620 -23.61784      32.19109 
1 1 1 -6  25 29 o 154.495 33.383 5.6723  2.1204 5.6723  2.1204  0.0000  0.0000 154.495 33.383 ?       ?      0.000000       33.38311 
1 1 1 -6  26 1  o 734.302 18.399 114.530 5.7214 109.554 7.7626  120.449 8.4657 717.132 25.560 751.762 26.591 -34.63055      36.88394 
1 1 1 -6  26 2  o 484.978 17.545 49.944  3.6034 50.822  4.8455  48.859  5.3898 488.679 23.414 478.054 26.730 10.62531       35.53393 
1 1 1 -6  26 3  o 92.140  30.930 1.6999  1.4242 0.0000  0.0000  1.6999  1.4242 ?       ?      92.140  30.930 0.000000       30.93034 
1 1 1 -6  26 4  o 703.999 25.353 105.574 7.5588 0.0000  0.0000  105.574 7.5588 ?       ?      703.999 25.353 0.000000       25.35330 
1 1 1 -6  26 5  o 489.974 17.616 50.984  3.6554 0.0000  0.0000  50.984  3.6554 ?       ?      489.974 17.616 0.000000       17.61621 
1 1 1 -6  26 6  o 418.161 14.709 37.103  2.6047 30.785  5.0810  39.355  3.0337 378.108 32.033 430.541 16.638 -52.43298      36.09607 
1 1 1 -6  26 7  o 541.545 14.386 62.226  3.2993 64.469  6.4148  61.419  3.8472 549.022 27.679 537.814 16.891 11.20795       32.42591 
1 1 1 -6  26 8  o 391.005 12.648 32.426  2.0944 34.987  3.1440  30.383  2.8082 405.789 18.295 378.199 17.533 27.58987       25.34008 
1 1 1 -6  26 9  o 607.524 13.450 78.304  3.4604 80.472  4.3600  74.613  5.6879 615.555 16.725 591.977 22.689 23.57770       28.18707 
1 1 1 -6  26 10 o 310.151 12.630 20.405  1.6589 19.544  2.4375  21.149  2.2641 302.587 19.120 315.061 17.032 -12.47385      25.60634 
1 1 1 -6  26 11 o 170.417 17.248 6.2339  1.2276 4.7087  1.8453  7.4450  1.6443 145.600 30.884 185.814 21.279 -40.21371      37.50499 
1 1 1 -6  26 12 o 349.363 12.183 25.893  1.8025 25.736  2.6856  26.022  2.4316 347.411 18.318 349.965 16.407 -2.554047      24.59169 
1 1 1 -6  26 13 o 186.250 18.877 7.4548  1.4684 8.2139  2.7963  7.1658  1.7254 192.406 35.630 181.921 22.903 10.48430       42.35613 
1 1 1 -6  26 14 o 562.942 16.612 67.362  3.9604 74.393  5.7279  60.922  5.4819 590.567 22.902 534.198 24.232 56.36835       33.34201 
1 1 1 -6  26 15 o 563.844 13.702 67.501  3.2719 70.990  5.7566  65.836  3.9767 576.706 23.570 556.457 16.875 20.24969       28.98838 
1 1 1 -6  26 16 o 188.896 17.816 7.6583  1.4084 5.7435  2.2109  8.9661  1.8271 160.429 33.618 203.958 21.476 -43.52859      39.89194 
1 1 1 -6  26 17 o 338.882 15.969 24.421  2.2917 23.885  2.8197  25.462  3.9335 334.158 20.018 343.607 27.255 -9.448944      33.81636 
1 1 1 -6  26 18 o 415.358 13.249 36.656  2.3305 40.352  3.3897  33.343  3.2092 435.109 18.396 395.406 19.165 39.70242       26.56519 
1 1 1 -6  26 19 o 155.468 20.533 5.2549  1.3188 6.8426  2.0331  4.1016  1.7328 176.065 28.221 135.081 30.955 40.98448       41.88815 
1 1 1 -6  26 20 o 607.387 14.307 78.552  3.6802 86.536  5.9033  73.476  4.7068 635.135 21.948 586.213 18.959 48.92273       29.00270 
1 1 1 -6  26 21 o 296.117 15.749 18.762  1.9679 20.578  3.1239  17.567  2.5339 308.067 24.138 285.311 21.121 22.75580       32.07406 
1 1 1 -6  26 22 o 251.455 16.593 13.573  1.7571 16.837  2.7420  11.299  2.2887 278.409 23.475 227.529 24.121 50.88016       33.65849 
1 1 1 -6  26 23 o 302.407 17.309 19.657  2.2075 16.719  2.8032  24.453  3.5819 276.820 24.153 334.645 25.466 -57.82513      35.09855 
1 1 1 -6  26 24 o 226.150 16.790 11.036  1.5965 9.9530  2.2092  12.219  2.3098 212.253 25.060 236.031 23.417 -23.77722      34.29858 
1 1 1 -6  26 25 o 171.455 20.991 6.4647  1.4923 7.6991  1.9760  4.8261  2.2767 185.689 25.827 142.915 37.241 42.77489       45.32013 
1 1 1 -6  26 26 o 338.919 16.710 24.739  2.3983 26.402  3.5090  23.281  3.2855 346.255 24.080 325.081 24.036 21.17346       34.02276 
1 1 1 -6  26 27 o 194.302 22.523 8.3866  1.8190 7.2635  2.4931  9.6649  2.6598 175.174 34.833 204.386 31.760 -29.21201      47.13865 
1 1 1 -6  26 28 o 214.014 27.852 10.437  2.4645 10.437  2.4645  0.0000  0.0000 214.014 27.852 ?       ?      0.000000       27.85228 
1 1 1 -6  27 1  o 410.124 15.873 35.705  2.7568 34.556  4.4037  36.446  3.5353 401.801 26.020 414.039 20.162 -12.23822      32.91736 
1 1 1 -6  27 2  o 558.685 17.362 66.289  4.1078 60.803  5.5131  73.136  6.1589 534.295 24.365 585.920 24.821 -51.62543      34.78144 
1 1 1 -6  27 3  f 92.116  30.055 1.7458  1.3474 1.7820  1.9975  1.7155  1.8252 100.328 36.418 97.210  34.876 3.118469       50.42401 
1 1 1 -6  27 4  o 316.468 32.294 21.644  4.2675 0.0000  0.0000  21.644  4.2675 ?       ?      316.468 32.294 0.000000       32.29426 
1 1 1 -6  27 5  o 756.643 14.207 121.475 4.5524 114.531 7.4078  125.689 5.7707 733.333 23.853 769.216 17.715 -35.88379      29.71169 
1 1 1 -6  27 6  o 575.480 14.511 70.279  3.5366 73.693  6.8710  69.049  4.1249 587.606 27.611 570.180 17.083 17.42621       32.46862 
1 1 1 -6  27 7  o 584.658 14.394 72.541  3.5640 71.539  6.8231  72.917  4.1795 578.849 27.834 585.931 16.844 -7.081665      32.53354 
1 1 1 -6  27 8  o 569.351 14.244 68.795  3.4345 60.190  6.8507  71.683  3.9693 529.524 30.681 580.995 16.132 -51.47125      34.66390 
1 1 1 -6  27 9  o 301.674 14.633 19.318  1.8695 18.608  4.0326  19.513  2.1099 292.784 33.105 302.638 16.525 -9.854309      37.00008 
1 1 1 -6  27 10 o 414.660 13.988 36.496  2.4564 35.124  4.6449  37.028  2.8943 404.545 27.271 417.490 16.370 -12.94467      31.80722 
1 1 1 -6  27 11 o 186.216 20.028 7.4645  1.5546 10.304  3.0585  6.4752  1.8052 216.375 34.539 172.337 25.505 44.03833       42.93547 
1 1 1 -6  27 12 o 474.004 14.013 47.701  2.8128 47.190  5.3135  47.900  3.3155 469.057 26.861 474.749 16.491 -5.692078      31.51900 
1 1 1 -6  27 13 o 443.856 13.894 41.829  2.6117 38.985  4.7230  43.082  3.1346 426.219 26.295 450.208 16.441 -23.98892      31.01143 
1 1 1 -6  27 14 f 371.142 12.714 29.236  1.9984 27.719  2.9857  30.467  2.6897 360.272 19.643 378.544 16.778 -18.27228      25.83348 
1 1 1 -6  27 15 o 417.186 12.937 36.947  2.2856 34.098  3.4939  39.078  3.0219 399.461 20.725 428.694 16.645 -29.23276      26.58142 
1 1 1 -6  27 16 o 141.018 21.795 4.3407  1.2596 3.8614  1.8847  4.7276  1.6933 131.358 33.711 146.044 28.402 -14.68556      44.08068 
1 1 1 -6  27 17 o 498.018 14.917 52.735  3.1460 52.379  3.9034  53.396  5.3146 495.765 18.592 498.596 25.252 -2.831604      31.35816 
1 1 1 -6  27 18 o 137.805 23.512 4.1798  1.3229 5.8302  2.0259  2.9531  1.7467 161.731 30.702 115.474 33.655 46.25681       45.55523 
1 1 1 -6  27 19 f 388.176 13.657 32.060  2.2450 30.723  3.2801  33.238  3.0793 378.307 20.551 394.466 18.433 -16.15955      27.60664 
1 1 1 -6  27 20 o 413.176 14.499 36.374  2.5370 37.719  4.0315  35.492  3.2644 418.228 22.848 407.245 18.928 10.98297       29.66988 
1 1 1 -6  27 21 o 233.087 16.692 11.669  1.6368 12.728  2.5702  10.947  2.1229 241.292 25.541 224.373 22.652 16.91951       34.13861 
1 1 1 -6  27 22 o 304.957 16.401 19.945  2.1104 22.313  3.3201  18.340  2.7337 320.118 24.681 290.790 22.370 29.32736       33.30992 
1 1 1 -6  27 23 o 156.158 20.694 5.3470  1.3348 6.2068  1.7564  4.1713  2.0538 167.042 25.648 134.245 35.560 32.79655       43.84430 
1 1 1 -6  27 24 o 114.300 21.110 2.9158  0.9842 5.9496  1.4071  0.0100  1.3771 164.569 20.644 65.027  27.898 99.54259       34.70588 
1 1 1 -6  27 25 o 160.523 20.703 5.6775  1.3746 7.2157  1.8525  3.7930  2.0505 179.815 25.003 127.134 36.292 52.68102       44.07088 
1 1 1 -6  27 26 o 147.923 28.988 5.0370  1.7510 4.4650  2.0170  6.7866  3.5277 137.246 34.687 164.110 47.829 -26.86435      59.08252 
1 1 1 -6  27 27 o 89.116  33.075 1.5353  1.6622 1.5353  1.6622  0.0000  0.0000 89.116  33.075 ?       ?      0.000000       33.07519 
1 1 1 -6  27 28 f 118.666 29.319 3.3087  1.4648 2.0104  1.9142  5.1433  2.2755 98.104  35.644 145.262 36.913 -47.15808      51.31366 
1 1 1 -6  28 1  o 722.651 15.172 110.854 4.6431 116.917 7.6175  107.270 5.8568 740.712 24.284 710.303 19.470 30.40900       31.12560 
1 1 1 -6  28 2  o 684.393 14.700 99.411  4.2606 97.540  6.9291  100.548 5.4026 676.583 24.183 687.825 18.547 -11.24200      30.47672 
1 1 1 -6  28 3  o 442.967 14.714 41.646  2.7603 41.823  4.3040  41.522  3.5975 442.573 23.044 441.943 19.222 0.6295471      30.00805 
1 1 1 -6  28 4  o 493.569 25.740 52.094  5.3615 0.0000  0.0000  52.094  5.3615 ?       ?      493.569 25.740 0.000000       25.73971 
1 1 1 -6  28 5  o 456.029 16.809 44.173  3.2463 45.832  4.3584  42.106  4.8653 463.977 22.181 443.518 26.017 20.45923       34.18911 
1 1 1 -6  28 6  o 335.933 12.854 23.941  1.8287 24.719  2.6690  23.251  2.5106 340.505 18.579 330.278 18.018 10.22708       25.88107 
1 1 1 -6  28 7  o 268.462 14.910 15.348  1.6885 15.815  2.4616  14.933  2.3204 271.709 21.570 264.066 20.921 7.642151       30.04912 
1 1 1 -6  28 8  f 796.470 14.722 134.678 4.9656 134.243 6.1605  135.484 8.3897 794.613 18.307 796.914 24.859 -2.300964      30.87288 
1 1 1 -6  28 9  o 276.778 13.147 16.256  1.5410 13.634  2.3874  18.129  2.0175 251.943 22.617 291.649 16.401 -39.70551      27.93779 
1 1 1 -6  28 10 o 264.840 13.958 14.931  1.5600 15.550  2.3051  14.408  2.1190 269.505 20.347 259.492 19.423 10.01318       28.12926 
1 1 1 -6  28 11 f 636.227 11.962 85.880  3.2229 81.690  4.6910  89.627  4.4355 619.761 17.873 649.434 16.127 -29.67334      24.07361 
1 1 1 -6  28 12 o 680.047 12.029 98.128  3.4642 92.837  5.0587  102.800 4.7537 660.598 18.082 695.472 16.140 -34.87366      24.23783 
1 1 1 -6  28 13 o 260.595 14.810 14.472  1.6277 12.618  2.4237  15.996  2.1968 241.931 23.972 273.458 19.089 -31.52654      30.64397 
1 1 1 -6  28 14 o 403.330 12.603 34.529  2.1527 37.118  3.1723  32.320  2.9307 417.659 17.935 389.747 17.756 27.91205       25.23784 
1 1 1 -6  28 15 o 475.192 12.847 47.942  2.5854 47.229  3.9437  48.479  3.4238 470.784 19.781 477.375 16.936 -6.590576      26.04014 
1 1 1 -6  28 16 o 113.128 25.348 2.8479  1.1843 3.4962  1.7745  2.3273  1.5902 125.034 33.022 104.149 32.509 20.88475       46.33850 
1 1 1 -6  28 17 o 326.905 22.518 22.976  3.0984 21.932  5.3878  23.491  3.7873 313.736 41.575 329.392 27.399 -15.65579      49.79121 
1 1 1 -6  28 18 o 49.323  22.545 -0.6995 1.0526 -1.3176 1.5918  -0.2191 1.4032 58.404  27.064 63.789  27.765 -5.384243      38.77300 
1 1 1 -6  28 19 o 329.296 14.531 23.100  2.0265 22.084  2.9600  23.996  2.7801 320.017 21.974 334.212 19.730 -14.19501      29.53218 
1 1 1 -6  28 20 o 161.523 25.765 5.7734  1.7032 7.0205  2.4819  4.6634  2.3416 175.952 34.541 142.577 38.066 33.37547       51.40159 
1 1 1 -6  28 21 o 175.790 19.378 6.7082  1.4186 3.9215  2.3482  8.3097  1.7802 131.336 39.220 195.272 21.905 -63.93527      44.92303 
1 1 1 -6  28 22 o 470.033 14.556 47.187  2.8974 52.061  4.5167  43.778  3.7768 491.133 21.716 451.106 19.770 40.02692       29.36734 
1 1 1 -6  28 23 f 252.105 19.082 13.774  2.0222 11.550  2.6265  17.012  3.1689 227.745 27.810 277.162 27.355 -49.41693      39.00856 
1 1 1 -6  28 24 o 167.548 18.608 6.1315  1.2980 6.6858  1.8380  5.5799  1.8333 172.717 25.929 156.534 28.714 16.18335       38.68841 
1 1 1 -6  28 25 o 165.509 25.080 6.1450  1.7028 4.4194  1.9636  11.378  3.4195 137.072 33.994 219.731 38.130 -82.65874      51.08298 
1 1 1 -6  28 26 o 142.711 30.948 4.7663  1.8165 4.7663  1.8165  0.0000  0.0000 142.711 30.948 ?       ?      0.000000       30.94797 
1 1 1 -6  28 27 o 125.827 26.766 3.6659  1.3824 3.2641  1.9099  4.1081  2.0036 117.021 35.468 130.426 35.378 -13.40541      50.09533 
1 1 1 -6  28 28 o 157.921 32.858 5.9257  2.1260 0.0000  0.0000  5.9257  2.1260 ?       ?      157.921 32.858 0.000000       32.85810 
1 1 1 -6  29 1  o 474.015 14.892 47.702  2.9894 46.946  4.7627  48.193  3.8401 468.650 24.079 476.054 19.048 -7.403442      30.70155 
1 1 1 -6  29 2  o 612.276 14.660 79.581  3.8013 84.387  6.1886  76.669  4.8171 629.294 23.222 600.461 18.943 28.83240       29.96835 
1 1 1 -6  29 3  o 752.725 14.831 120.286 4.7276 131.864 7.7164  113.329 5.9818 786.650 23.163 729.966 19.350 56.68359       30.18162 
1 1 1 -6  29 4  o 731.572 25.634 114.215 7.9418 0.0000  0.0000  114.215 7.9418 ?       ?      731.572 25.634 0.000000       25.63396 
1 1 1 -6  29 5  o 418.829 14.615 37.240  2.5922 35.765  3.2005  40.053  4.4198 410.139 18.426 432.720 24.216 -22.58124      30.42901 
1 1 1 -6  29 6  o 323.137 15.188 22.173  2.0784 20.561  2.5958  25.053  3.4692 310.225 19.863 341.909 24.114 -31.68414      31.24109 
1 1 1 -6  29 7  o 690.695 12.678 101.223 3.7082 97.518  5.3759  104.586 5.1218 677.115 18.747 701.466 17.241 -24.35089      25.47024 
1 1 1 -6  29 8  o 368.925 12.585 28.880  1.9662 28.207  3.0004  29.386  2.6029 363.549 19.560 371.863 16.529 -8.314606      25.60843 
1 1 1 -6  29 9  o 178.171 16.625 6.8052  1.2399 5.3344  1.9353  7.8294  1.6150 155.122 30.547 190.693 20.310 -35.57152      36.68284 
1 1 1 -6  29 10 o 297.634 13.464 18.806  1.6970 15.517  2.5373  21.467  2.2827 268.828 22.494 317.302 17.050 -48.47391      28.22581 
1 1 1 -6  29 11 o 680.448 12.155 98.252  3.5027 95.145  5.0728  101.083 4.8422 668.756 17.912 689.542 16.582 -20.78607      24.40895 
1 1 1 -6  29 12 o 337.292 13.642 24.157  1.9486 23.037  2.9347  25.039  2.6059 328.062 21.238 342.575 18.026 -14.51291      27.85600 
1 1 1 -6  29 13 o 462.348 12.378 45.371  2.4235 40.915  3.6044  49.049  3.2742 438.296 19.419 480.329 16.096 -42.03342      25.22229 
1 1 1 -6  29 14 o 328.251 14.032 22.889  1.9506 24.918  2.9982  21.400  2.5684 341.210 20.849 316.370 19.262 24.84024       28.38510 
1 1 1 -6  29 15 o 784.065 12.751 130.551 4.2339 131.768 6.1463  129.453 5.8408 786.459 18.454 779.712 17.689 6.746826       25.56247 
1 1 1 -6  29 16 o 261.770 15.010 14.624  1.6570 14.769  2.4652  14.505  2.2379 261.811 22.452 259.816 20.505 1.995758       30.40640 
1 1 1 -6  29 17 o 120.367 30.732 3.2557  1.5719 1.2471  4.3709  3.5540  1.6847 123.037 51.059 125.649 31.670 -2.612183      60.08356 
1 1 1 -6  29 18 o 280.935 15.086 16.865  1.7883 17.655  2.5734  16.127  2.4869 286.178 21.388 273.377 21.658 12.80133       30.43890 
1 1 1 -6  29 19 o 514.171 13.315 56.292  2.8993 51.055  4.2111  61.012  3.9977 487.853 20.383 534.164 17.672 -46.31183      26.97700 
1 1 1 -6  29 20 o 229.282 17.549 11.315  1.6911 7.8044  2.7214  13.523  2.1584 185.005 36.031 250.066 20.563 -65.06009      41.48603 
1 1 1 -6  29 21 o 304.516 15.907 19.880  2.0442 20.002  3.2723  19.803  2.6178 302.451 25.795 302.678 20.544 -0.2276306     32.97627 
1 1 1 -6  29 22 o 164.579 21.047 5.9400  1.4333 4.7102  2.3778  6.6420  1.7964 141.950 38.556 172.952 25.272 -31.00154      46.09979 
1 1 1 -6  29 23 o 199.524 29.944 9.0067  2.4521 9.0067  2.4521  0.0000  0.0000 199.524 29.944 ?       ?      0.000000       29.94430 
1 1 1 -6  29 24 o 294.416 22.990 19.042  2.8438 19.042  2.8438  0.0000  0.0000 294.416 22.990 ?       ?      0.000000       22.99043 
1 1 1 -6  29 25 o 93.207  30.032 1.9280  1.3478 1.9280  1.3478  0.0000  0.0000 93.207  30.032 ?       ?      0.000000       30.03226 
1 1 1 -6  29 26 o 110.643 33.696 2.8746  1.7209 0.0000  0.0000  2.8746  1.7209 ?       ?      110.643 33.696 0.000000       33.69596 
1 1 1 -6  29 27 o 203.238 27.324 9.4313  2.2922 0.0000  0.0000  9.4313  2.2922 ?       ?      203.238 27.324 0.000000       27.32443 
1 1 1 -6  30 1  o 494.085 14.804 51.837  3.0975 55.943  5.0058  49.290  3.9430 512.252 23.075 481.312 19.345 30.93991       30.11123 
1 1 1 -6  30 2  o 228.747 18.598 11.201  1.7860 14.182  2.8170  9.1978  2.3096 256.349 26.322 205.712 27.177 50.63696       37.83415 
1 1 1 -6  30 3  o 345.263 15.055 25.315  2.2013 24.296  3.4160  26.039  2.8787 336.630 24.122 349.278 19.540 -12.64767      31.04321 
1 1 1 -6  30 4  o 372.776 19.676 29.654  3.0952 0.0000  0.0000  29.654  3.0952 ?       ?      372.776 19.676 0.000000       19.67604 
1 1 1 -6  30 5  o 413.258 14.177 36.258  2.4811 39.845  3.9762  33.971  3.1749 431.897 21.810 399.615 18.761 32.28271       28.76876 
1 1 1 -6  30 6  o 283.446 14.919 17.110  1.7845 17.161  2.6204  17.065  2.4368 282.924 22.044 282.358 20.519 0.5668030      30.11629 
1 1 1 -6  30 7  f 328.309 16.115 22.905  2.2406 25.281  2.9012  19.394  3.5270 344.012 20.000 299.737 28.114 44.27545       34.50266 
1 1 1 -6  30 8  f 79.218  30.064 0.9579  1.3898 1.1395  1.8101  0.6970  2.1692 88.792  34.164 89.468  36.423 -0.6765442     49.93777 
1 1 1 -6  30 9  o 626.503 14.279 83.358  3.7884 78.150  4.7140  92.856  6.3657 606.027 18.368 659.721 22.785 -53.69342      29.26632 
1 1 1 -6  30 10 o 246.605 14.979 12.967  1.5570 15.253  2.2936  11.014  2.1203 266.793 20.456 226.130 22.437 40.66267       30.36280 
1 1 1 -6  30 11 o 477.166 12.293 48.323  2.4842 45.788  3.6770  50.453  3.3694 463.772 18.722 487.135 16.333 -23.36349      24.84490 
1 1 1 -6  30 12 o 524.434 12.107 58.371  2.6888 58.466  3.9945  58.293  3.6359 524.127 17.996 523.579 16.398 0.5480957      24.34659 
1 1 1 -6  30 13 o 113.193 28.053 2.8559  1.3380 5.9414  2.1601  0.9351  1.7042 163.353 32.369 84.251  32.943 79.10236       46.18416 
1 1 1 -6  30 14 o 100.533 33.656 2.0640  1.6862 2.4851  2.3614  1.6258  2.4086 113.110 39.764 103.110 39.471 10.00016       56.02829 
1 1 1 -6  30 15 o 496.007 12.716 52.266  2.6710 48.075  4.0730  55.428  3.5379 474.507 20.269 510.240 16.373 -35.73279      26.05572 
1 1 1 -6  30 16 o 266.700 15.762 15.201  1.7723 14.929  2.8375  15.376  2.2694 262.249 25.887 267.449 20.186 -5.200104      32.82701 
1 1 1 -6  30 17 o 198.037 21.466 8.5028  1.7714 13.859  4.2000  7.3438  1.9537 247.180 41.600 182.848 25.960 64.33122       49.03550 
1 1 1 -6  30 18 o 185.936 18.876 7.4743  1.4658 5.2977  2.0922  9.5724  2.0541 152.818 33.272 209.588 23.551 -56.77045      40.76327 
1 1 1 -6  30 19 o 341.971 14.098 24.931  2.0418 23.849  3.0284  25.833  2.7646 332.274 21.639 346.671 18.902 -14.39664      28.73251 
1 1 1 -6  30 20 o 238.023 17.140 12.190  1.7162 11.828  2.6489  12.451  2.2529 231.571 27.552 239.225 22.503 -7.654404      35.57335 
1 1 1 -6  30 21 o 255.499 21.550 14.192  2.3100 13.694  2.9715  14.952  3.6722 248.450 28.775 257.269 34.580 -8.819611      44.98630 
1 1 1 -6  30 22 o 257.110 20.514 14.386  2.2150 14.826  2.8314  13.693  3.5560 258.884 26.186 244.494 35.372 14.39047       44.00997 
1 1 1 -6  30 23 o 101.544 36.497 2.1021  1.9997 2.1021  1.9997  0.0000  0.0000 101.544 36.497 ?       ?      0.000000       36.49665 
1 1 1 -6  30 24 o 228.882 17.524 11.373  1.6857 10.865  2.5480  11.768  2.2480 219.553 28.044 230.710 23.329 -11.15675      36.47911 
1 1 1 -6  30 25 o 96.190  32.128 2.0470  1.5365 0.0000  0.0000  2.0470  1.5365 ?       ?      96.190  32.128 0.000000       32.12803 
1 1 1 -6  30 26 o 151.312 32.391 5.4384  2.0130 0.0000  0.0000  5.4384  2.0130 ?       ?      151.312 32.391 0.000000       32.39112 
1 1 1 -6  30 27 o 110.660 26.899 2.8576  1.2483 3.6150  1.6375  1.8068  1.9288 123.216 31.315 95.163  35.568 28.05335       47.38865 
1 1 1 -6  31 1  f 261.565 18.523 14.628  2.0385 18.146  3.3364  12.532  2.5751 289.967 27.499 240.855 25.640 49.11130       37.59782 
1 1 1 -6  31 2  o 273.743 17.323 15.996  1.9978 11.343  3.0935  19.325  2.6167 227.473 33.083 300.512 20.687 -73.03897      39.01808 
1 1 1 -6  31 3  f 600.027 14.579 76.461  3.7046 80.181  5.8942  74.031  4.7630 613.167 22.699 589.800 19.069 23.36780       29.64587 
1 1 1 -6  31 4  o 174.212 27.081 6.6413  1.9331 0.0000  0.0000  6.6413  1.9331 ?       ?      174.212 27.081 0.000000       27.08074 
1 1 1 -6  31 5  f 515.495 12.694 56.397  2.7712 54.825  3.9629  57.902  3.8767 507.615 18.435 521.784 17.544 -14.16998      25.44839 
1 1 1 -6  31 6  o 120.819 29.863 3.2534  1.5192 5.8327  2.5063  1.7551  1.9102 161.211 37.430 98.575  35.639 62.63605       51.68272 
1 1 1 -6  31 7  o 767.642 14.463 125.161 4.7016 122.633 7.9159  126.540 5.8441 757.624 24.672 771.227 17.893 -13.60345      30.47742 
1 1 1 -6  31 8  o 401.243 12.689 34.173  2.1561 30.922  3.2043  36.863  2.9146 380.487 19.956 416.384 16.529 -35.89755      25.91195 
1 1 1 -6  31 9  o 462.531 14.413 45.444  2.8231 38.868  3.4902  57.890  4.8012 427.217 19.291 520.976 21.761 -93.75919      29.08100 
1 1 1 -6  31 10 o 606.740 14.471 78.206  3.7184 78.138  4.5843  78.339  6.3574 605.954 17.864 605.337 24.799 0.6165771      30.56367 
1 1 1 -6  31 11 o 128.976 29.650 3.7122  1.5856 5.7294  2.0297  0.5538  2.5398 160.645 30.957 93.981  38.955 66.66424       49.75793 
1 1 1 -6  31 12 o 288.255 18.281 17.764  2.2200 13.137  2.7964  25.651  3.6510 246.077 27.293 345.321 25.138 -99.24371      37.10617 
1 1 1 -6  31 13 o 201.118 21.958 8.7401  1.8398 10.222  2.4483  6.8177  2.7886 216.605 27.296 173.786 38.864 42.81802       47.49211 
1 1 1 -6  31 14 o 692.497 14.706 101.993 4.3129 103.299 5.4079  99.711  7.1487 696.062 18.346 681.949 24.753 14.11249       30.81063 
1 1 1 -6  31 15 o 144.993 32.457 4.7335  1.9433 4.2738  2.6756  5.2468  2.8271 138.467 41.982 151.921 42.353 -13.45349      59.63419 
1 1 1 -6  31 16 o 402.453 16.165 34.537  2.7551 36.132  3.5564  32.143  4.3570 410.783 20.444 385.009 26.891 25.77383       33.77959 
1 1 1 -6  31 17 f 291.961 24.518 18.500  3.0033 15.133  5.3590  20.043  3.6263 253.471 51.677 302.666 28.632 -49.19464      59.07843 
1 1 1 -6  31 18 o 431.372 15.560 39.726  2.8426 39.144  3.5505  40.764  4.7441 427.177 19.626 433.104 25.985 -5.926941      32.56448 
1 1 1 -6  31 19 o 350.664 16.855 26.312  2.5030 27.194  3.1216  24.725  4.1888 354.926 20.860 335.018 29.836 19.90826       36.40523 
1 1 1 -6  31 20 o 358.714 17.433 27.588  2.6482 26.556  3.3252  29.380  4.3791 349.794 22.567 365.404 28.525 -15.60983      36.37213 
1 1 1 -6  31 21 o 408.240 24.068 36.398  4.1426 36.398  4.1426  0.0000  0.0000 408.240 24.068 ?       ?      0.000000       24.06793 
1 1 1 -6  31 22 o 316.236 18.133 21.642  2.4183 20.662  3.2088  22.930  3.6791 306.036 24.977 321.261 27.301 -15.22571      37.00234 
1 1 1 -6  31 23 o 256.186 30.513 14.875  3.2453 0.0000  0.0000  14.875  3.2453 ?       ?      256.186 30.513 0.000000       30.51297 
1 1 1 -6  31 24 o 209.410 24.145 9.7731  2.1020 0.0000  0.0000  9.7731  2.1020 ?       ?      209.410 24.145 0.000000       24.14511 
1 1 1 -6  31 25 o 94.319  23.705 2.0438  0.9458 1.8785  1.3682  2.1952  1.3088 91.861  30.301 97.551  29.314 -5.689850      42.16045 
1 1 1 -6  31 26 o 278.582 16.442 16.879  1.9312 13.561  2.8166  19.822  2.6529 243.662 27.793 299.513 21.049 -55.85127      34.86399 
1 1 1 -6  32 1  o 685.652 15.088 99.881  4.3811 104.189 7.0738  97.200  5.5801 698.512 23.913 675.627 19.503 22.88477       30.85756 
1 1 1 -6  32 2  o 206.279 20.363 9.1519  1.7556 9.7411  2.6665  8.7011  2.3325 210.894 30.762 199.600 28.395 11.29433       41.86344 
1 1 1 -6  32 3  o 848.141 15.437 152.858 5.5445 146.517 8.9328  156.833 7.0716 827.841 25.480 858.203 19.457 -30.36169      32.05952 
1 1 1 -6  32 4  o 312.110 20.733 20.849  2.7248 0.0000  0.0000  20.849  2.7248 ?       ?      312.110 20.733 0.000000       20.73273 
1 1 1 -6  32 5  o 419.477 16.310 37.409  2.8974 33.940  3.4776  45.283  5.2391 398.542 20.676 459.129 27.065 -60.58774      34.05843 
1 1 1 -6  32 6  o 571.502 13.006 69.339  3.1477 67.274  4.5959  71.163  4.3200 562.050 19.309 578.343 17.638 -16.29272      26.15215 
1 1 1 -6  32 7  o 422.014 13.492 37.818  2.4113 37.190  3.6196  38.319  3.2332 417.730 20.461 424.332 17.992 -6.601379      27.24614 
1 1 1 -6  32 8  o 354.250 14.478 26.661  2.1720 25.060  3.7087  27.496  2.6796 341.273 25.853 359.476 17.602 -18.20224      31.27642 
1 1 1 -6  32 9  f 425.382 13.713 38.432  2.4704 37.765  4.2492  38.772  3.0363 419.701 24.006 426.938 16.793 -7.236298      29.29705 
1 1 1 -6  32 10 f 451.071 14.388 43.232  2.7485 41.620  4.8619  43.988  3.3319 440.079 26.206 454.653 17.305 -14.57367      31.40407 
1 1 1 -6  32 11 o 313.751 15.552 20.932  2.0665 23.415  3.9149  19.974  2.4330 329.057 28.371 305.602 18.892 23.45435       34.08534 
1 1 1 -6  32 12 o 347.129 14.052 25.610  2.0657 25.876  3.1624  25.412  2.7282 347.395 21.603 344.787 18.755 2.607391       28.60785 
1 1 1 -6  32 13 o 219.149 17.119 10.293  1.5761 8.2429  2.4493  11.742  2.0591 193.094 31.001 233.477 21.051 -40.38310      37.47330 
1 1 1 -6  32 14 o 263.908 19.706 14.964  2.1865 16.777  2.8063  12.163  3.4881 278.589 24.021 233.503 36.466 45.08589       43.66669 
1 1 1 -6  32 15 o 268.270 19.586 15.475  2.2098 14.562  2.9598  16.626  3.3217 258.263 27.484 275.741 28.874 -17.47818      39.86298 
1 1 1 -6  32 16 o 272.696 23.928 16.134  2.7353 19.427  4.6326  14.372  3.3892 294.417 38.045 254.766 32.128 39.65146       49.79591 
1 1 1 -6  32 17 o 328.713 16.977 23.162  2.3552 24.861  2.9463  20.153  3.9200 339.640 20.581 302.187 31.074 37.45337       37.27175 
1 1 1 -6  32 18 o 99.516  28.496 2.2139  1.2622 0.1288  1.8677  3.9668  1.7124 76.982  32.743 132.001 31.137 -55.01954      45.18455 
1 1 1 -6  32 19 o 213.948 26.832 10.115  2.3776 6.9462  4.8293  11.128  2.7316 171.040 56.953 223.605 29.572 -52.56525      64.17278 
1 1 1 -6  32 20 o 454.510 22.565 44.772  4.3434 41.470  7.9833  46.160  5.1765 421.126 45.486 458.664 26.766 -37.53857      52.77722 
1 1 1 -6  32 21 o 263.557 21.575 15.178  2.3870 0.0000  0.0000  15.178  2.3870 ?       ?      263.557 21.575 0.000000       21.57515 
1 1 1 -6  32 22 o 65.320  28.239 -0.0518 1.4320 0.0000  0.0000  -0.0518 1.4320 ?       ?      65.320  28.239 0.000000       28.23898 
1 1 1 -6  32 23 o 176.289 22.526 6.9016  1.6432 6.2394  2.3225  7.5654  2.3253 162.585 34.783 180.986 31.481 -18.40170      46.91400 
1 1 1 -6  32 24 o 266.531 16.826 15.429  1.8895 14.394  2.9705  16.133  2.4487 251.698 28.363 270.423 21.562 -18.72502      35.62788 
1 1 1 -6  32 25 o 246.518 16.774 13.241  1.7407 14.622  2.7209  12.285  2.2649 254.522 25.590 234.466 23.111 20.05623       34.48109 
1 1 1 -6  32 26 f 168.569 18.387 6.2673  1.2913 7.1875  1.8145  5.3231  1.8381 177.949 24.748 150.415 29.908 27.53331       38.82011 
1 1 1 -6  33 1  o 433.424 19.133 40.004  3.5119 44.016  4.5582  34.143  5.5089 453.327 23.827 396.889 33.077 56.43729       40.76491 
1 1 1 -6  33 2  o 444.965 18.069 42.138  3.4048 41.235  4.4621  43.395  5.2679 438.665 24.112 449.169 27.831 -10.50430      36.82313 
1 1 1 -6  33 3  o 181.658 21.756 7.1376  1.6404 5.5853  2.5028  8.3066  2.1719 157.570 37.957 195.168 27.002 -37.59723      46.58150 
1 1 1 -6  33 4  o 379.889 15.265 30.671  2.4558 31.322  3.8350  30.218  3.1974 382.181 23.813 376.035 20.152 6.145416       31.19545 
1 1 1 -6  33 5  o 668.109 15.229 94.866  4.3087 94.631  5.3414  95.304  7.2904 666.613 18.921 667.359 25.796 -0.7454834     31.99088 
1 1 1 -6  33 6  o 481.182 13.316 49.167  2.7136 45.184  3.9860  52.607  3.7045 460.391 20.444 497.203 17.594 -36.81232      26.97223 
1 1 1 -6  33 7  o 286.682 18.694 17.576  2.2572 14.895  2.9837  21.163  3.4514 262.263 27.263 313.307 26.254 -51.04425      37.84915 
1 1 1 -6  33 8  o 241.927 15.894 12.499  1.6193 11.893  2.5862  12.889  2.0769 234.168 26.548 245.068 20.191 -10.89996      33.35367 
1 1 1 -6  33 9  o 369.090 13.461 28.937  2.1041 26.803  3.1104  30.736  2.8570 353.846 20.849 379.953 17.756 -26.10693      27.38489 
1 1 1 -6  33 10 o 431.981 14.647 39.669  2.6795 40.476  5.0612  39.354  3.1585 433.319 27.726 429.927 17.348 3.392426       32.70586 
1 1 1 -6  33 11 o 253.318 17.622 13.736  1.8787 15.010  3.5612  13.245  2.2114 261.551 32.878 248.111 21.251 13.43985       39.14804 
1 1 1 -6  33 12 o 363.940 15.001 28.183  2.3121 18.406  4.2485  32.297  2.7559 288.927 35.466 389.370 16.713 -100.4430      39.20702 
1 1 1 -6  33 13 o 263.707 17.682 14.902  1.9632 10.298  3.7321  16.663  2.3084 212.384 42.970 278.539 19.696 -66.15495      47.26947 
1 1 1 -6  33 14 o 340.251 16.497 24.696  2.3771 27.983  4.6198  23.512  2.7723 357.709 30.797 330.872 19.877 26.83716       36.65430 
1 1 1 -6  33 15 o 529.458 15.017 59.765  3.3672 66.899  6.5764  57.230  3.9200 554.809 28.081 517.370 17.891 37.43915       33.29641 
1 1 1 -6  33 16 o 340.505 36.271 25.887  5.1498 25.887  5.1498  0.0000  0.0000 340.505 36.271 ?       ?      0.000000       36.27115 
1 1 1 -6  33 17 f 308.657 22.863 20.668  2.9672 23.350  5.3357  19.467  3.5701 320.609 40.180 297.465 28.697 23.14343       49.37562 
1 1 1 -6  33 18 o 455.600 21.288 44.752  4.1073 44.772  6.9782  44.741  5.0805 446.267 37.265 452.559 26.626 -6.292084      45.79984 
1 1 1 -6  33 19 o 261.517 19.775 14.816  2.1739 11.876  5.9065  15.276  2.3380 215.124 61.656 265.199 20.989 -50.07556      65.13084 
1 1 1 -6  33 20 o 74.751  27.759 0.9851  1.1712 2.8564  2.1323  0.1767  1.4015 113.605 37.845 67.542  28.528 46.06330       47.39344 
1 1 1 -6  33 21 o 141.447 24.880 4.5114  1.4359 4.0422  2.3586  4.7878  1.8101 130.681 39.371 143.861 30.648 -13.17998      49.89387 
1 1 1 -6  33 22 o 97.167  28.054 2.1558  1.2188 3.5224  2.1503  1.5089  1.4794 122.432 37.735 87.187  31.386 35.24534       49.08158 
1 1 1 -6  33 23 o 190.146 18.862 7.9264  1.4988 5.1454  2.4201  9.6569  1.9090 145.437 38.637 208.879 21.907 -63.44243      44.41594 
1 1 1 -6  33 24 o 126.002 26.058 3.6693  1.3446 1.8173  2.1604  4.8403  1.7178 97.635  37.381 143.867 29.193 -46.23267      47.42899 
1 1 1 -6  33 25 o 319.481 16.228 22.188  2.1885 21.560  3.4124  22.627  2.8522 308.469 26.376 319.749 21.184 -11.28000      33.82939 
1 1 1 -6  34 1  o 450.911 15.449 43.223  2.9501 49.337  4.6636  39.144  3.8089 480.614 22.913 428.393 20.995 52.22116       31.07742 
1 1 1 -6  34 2  o 482.073 17.877 49.469  3.6498 53.621  4.7934  43.743  5.6300 501.105 22.588 450.296 29.690 50.80911       37.30539 
1 1 1 -6  34 3  o 500.034 17.968 53.228  3.8050 47.001  4.9552  62.176  5.9397 468.037 25.091 538.851 26.029 -70.81390      36.15326 
1 1 1 -6  34 4  o 267.201 19.863 15.300  2.2316 13.926  2.6322  18.811  4.2077 253.978 24.789 293.231 34.547 -39.25357      42.52031 
1 1 1 -6  34 5  o 533.722 15.784 60.573  3.5677 60.776  4.4267  60.198  6.0268 534.007 19.574 529.261 26.978 4.746216       33.33138 
1 1 1 -6  34 6  o 534.450 15.969 60.750  3.6144 58.208  4.5343  65.180  5.9858 522.404 20.496 551.687 25.620 -29.28247      32.80972 
1 1 1 -6  34 7  o 496.853 15.433 52.494  3.2473 48.406  4.2218  58.417  5.0815 476.269 20.932 522.796 22.952 -46.52734      31.06308 
1 1 1 -6  34 8  o 322.163 16.420 22.143  2.2328 19.600  2.9045  25.817  3.4911 301.943 22.885 346.546 23.935 -44.60330      33.11481 
1 1 1 -6  34 9  o 631.467 14.733 84.791  3.9399 86.054  4.9672  82.649  6.4698 635.388 18.460 621.103 24.597 14.28534       30.75365 
1 1 1 -6  34 10 o 295.613 17.235 18.681  2.1483 15.596  2.7592  23.431  3.4233 268.625 24.525 329.657 24.700 -61.03210      34.80783 
1 1 1 -6  34 11 o 175.069 23.833 6.6902  1.7211 10.214  2.3798  2.8256  2.4920 216.357 26.529 118.250 40.889 98.10776       48.74129 
1 1 1 -6  34 12 o 189.846 22.808 7.8385  1.7970 9.7568  2.5153  5.8386  2.5682 210.588 28.972 160.021 38.389 50.56650       48.09470 
1 1 1 -6  34 13 o 361.855 15.932 27.924  2.4414 27.849  3.1683  28.033  3.8304 359.876 20.879 359.786 25.300 0.8993530E-01  32.80287 
1 1 1 -6  34 14 o 114.004 32.754 2.9135  1.6651 1.6343  2.3506  4.2017  2.3589 101.455 38.956 135.901 38.969 -34.44678      55.10127 
1 1 1 -6  34 15 o 196.725 22.856 8.4464  1.8687 11.483  2.7352  5.7886  2.5590 227.957 28.989 158.369 38.525 69.58766       48.21309 
1 1 1 -6  34 16 o 110.284 48.380 -0.3306 4.3350 -0.3306 4.3350  0.0000  0.0000 110.284 48.380 ?       ?      0.000000       48.37978 
1 1 1 -6  34 17 o 80.831  31.661 0.9163  1.5763 0.0000  0.0000  0.9163  1.5763 ?       ?      80.831  31.661 0.000000       31.66087 
1 1 1 -6  34 18 o 325.722 15.421 22.703  2.1271 22.258  3.4393  22.978  2.7070 318.625 25.707 326.057 19.696 -7.432037      32.38550 
1 1 1 -6  34 19 o 187.760 20.463 7.7093  1.6007 4.6020  2.3614  10.351  2.1774 139.807 38.610 216.658 24.141 -76.85059      45.53579 
1 1 1 -6  34 20 o 107.522 28.722 2.6588  1.3326 3.4881  2.2600  2.2168  1.6500 122.636 38.824 100.480 33.282 22.15618       51.13684 
1 1 1 -6  34 21 o 99.666  27.107 2.2783  1.1744 -0.7520 2.1133  3.6324  1.4126 72.642  32.698 125.720 27.314 -53.07874      42.60528 
1 1 1 -6  34 22 o 398.094 15.361 34.121  2.5897 35.363  4.1591  33.334  3.3096 399.410 24.710 390.736 20.069 8.673676       31.83315 
1 1 1 -6  34 23 o 177.143 20.327 6.9506  1.4973 5.0921  2.3763  8.1744  1.9282 143.952 38.306 190.509 24.465 -46.55724      45.45242 
1 1 1 -6  34 24 o 354.077 15.743 27.151  2.3606 28.566  3.7127  26.190  3.0585 356.704 24.730 344.172 21.085 12.53226       32.49890 
1 1 1 -6  34 25 o 90.816  28.515 1.8899  1.2214 1.5609  1.9457  2.1038  1.5692 91.694  35.381 96.376  32.466 -4.682564      48.01930 
1 1 1 -6  35 1  o 349.904 22.740 26.278  3.3513 0.0000  0.0000  26.278  3.3513 ?       ?      349.904 22.740 0.000000       22.73990 
1 1 1 -6  35 2  o 598.661 19.778 76.431  5.0144 0.0000  0.0000  76.431  5.0144 ?       ?      598.661 19.778 0.000000       19.77849 
1 1 1 -6  35 3  o 875.608 19.803 163.508 7.3432 0.0000  0.0000  163.508 7.3432 ?       ?      875.608 19.803 0.000000       19.80314 
1 1 1 -6  35 4  o 766.080 16.383 124.885 5.3152 111.898 10.272  129.634 6.2114 719.428 33.716 779.897 18.807 -60.46918      38.60601 
1 1 1 -6  35 5  o 221.457 33.505 10.826  3.0440 9.9609  4.8941  11.371  3.8875 207.358 54.877 224.598 42.427 -17.23979      69.36487 
1 1 1 -6  35 6  o 424.859 14.055 38.367  2.5288 37.875  3.7278  38.787  3.4417 421.154 20.901 426.496 19.055 -5.341522      28.28372 
1 1 1 -6  35 7  o 477.242 15.529 48.461  3.1386 51.429  4.1006  44.263  4.8771 490.913 19.724 453.559 25.494 37.35400       32.23370 
1 1 1 -6  35 8  o 144.832 27.328 4.6541  1.6147 4.8038  2.2611  4.4983  2.3067 145.769 36.662 141.175 37.820 4.593765       52.67339 
1 1 1 -6  35 9  o 213.964 20.239 9.8687  1.8121 8.3808  2.2733  12.461  3.0009 195.263 28.318 238.294 30.432 -43.03099      41.56894 
1 1 1 -6  35 10 o 324.525 16.981 22.518  2.3256 22.052  3.0292  23.188  3.6293 319.969 22.499 327.118 26.424 -7.149536      34.70455 
1 1 1 -6  35 11 o 424.253 15.144 38.346  2.7209 38.181  3.5156  38.592  4.2968 422.460 19.651 422.990 24.087 -0.5292664     31.08547 
1 1 1 -6  35 12 o 275.121 15.271 16.186  1.7723 19.382  2.8341  14.133  2.2711 299.521 22.507 255.837 21.152 43.68344       30.88661 
1 1 1 -6  35 13 o 138.055 25.645 4.2450  1.4441 4.8677  2.4363  3.9077  1.7931 145.568 38.812 131.135 32.462 14.43295       50.59782 
1 1 1 -6  35 14 o 562.668 14.575 67.535  3.4729 66.012  6.3237  68.193  4.1557 551.322 27.084 564.524 17.383 -13.20154      32.18273 
1 1 1 -6  35 15 o 449.051 14.937 43.058  2.8405 54.946  5.2297  38.084  3.3830 503.705 24.516 421.237 18.964 82.46786       30.99509 
1 1 1 -6  35 16 o 279.419 20.024 16.883  2.3537 0.0000  0.0000  16.883  2.3537 ?       ?      279.419 20.024 0.000000       20.02395 
1 1 1 -6  35 17 o 257.728 17.216 14.311  1.8682 13.705  3.3157  14.593  2.2614 246.866 32.506 259.263 20.771 -12.39650      38.57549 
1 1 1 -6  35 18 o 423.062 13.892 38.268  2.4889 34.851  3.6508  41.235  3.4020 400.459 21.607 437.581 18.358 -37.12250      28.35298 
1 1 1 -6  35 19 o 264.023 16.767 15.063  1.8650 12.446  2.6548  17.612  2.6206 236.059 27.045 283.596 21.992 -47.53636      34.85756 
1 1 1 -6  35 20 o 233.447 17.637 11.839  1.7308 10.512  2.5324  13.002  2.3711 215.587 28.430 242.464 23.381 -26.87674      36.80995 
1 1 1 -6  35 21 o 57.084  24.903 -0.1398 1.1345 -1.0024 2.0663  0.2325  1.3574 69.695  31.752 66.806  28.139 2.889114       42.42612 
1 1 1 -6  35 22 o 298.567 16.503 19.339  2.0785 22.726  3.3415  17.201  2.6545 318.988 24.934 278.560 22.699 40.42828       33.71897 
1 1 1 -6  35 23 o 130.111 26.168 3.9216  1.3919 4.5546  2.4005  3.6010  1.7084 135.191 39.469 122.458 32.429 12.73286       51.08326 
1 1 1 -6  35 24 o 138.773 25.848 4.4537  1.4632 4.7826  2.3651  4.2498  1.8624 138.104 38.822 132.363 33.264 5.741425       51.12383 
1 1 1 -6  36 1  o 388.168 18.728 32.143  3.0786 26.049  4.0059  40.935  4.8117 346.924 27.491 435.759 26.196 -88.83453      37.97342 
1 1 1 -6  36 2  o 465.609 18.250 46.227  3.5987 41.731  4.6157  53.195  5.7467 440.410 24.849 496.579 27.433 -56.16928      37.01443 
1 1 1 -6  36 3  o 82.067  31.027 1.0654  1.4767 0.6189  2.0352  1.5618  2.1458 85.961  35.170 98.657  37.377 -12.69630      51.32213 
1 1 1 -6  36 4  o 236.761 24.033 12.134  2.3763 10.232  5.2777  12.618  2.6613 209.038 57.719 240.923 26.523 -31.88518      63.52108 
1 1 1 -6  36 5  o 229.687 32.563 11.639  3.0787 13.347  5.0713  10.642  3.8744 240.162 51.414 216.161 43.824 24.00174       67.55645 
1 1 1 -6  36 6  o 247.924 22.926 13.278  2.3798 7.6283  5.1469  14.814  2.6839 183.208 58.651 261.632 24.509 -78.42432      63.56629 
1 1 1 -6  36 7  o 95.437  32.558 1.8344  1.5782 -2.3140 4.0855  2.5620  1.7111 97.494  44.506 108.611 33.692 -11.11731      55.82054 
1 1 1 -6  36 8  o 269.857 17.868 15.609  2.0304 14.027  5.1169  15.905  2.2121 245.668 50.858 272.136 19.320 -26.46820      54.40385 
1 1 1 -6  36 9  o 338.159 16.436 24.388  2.3537 29.117  4.9231  22.986  2.6798 364.508 32.224 327.280 19.422 37.22861       37.62449 
1 1 1 -6  36 10 o 468.844 15.013 46.846  2.9809 49.589  5.7813  45.852  3.4791 477.516 28.722 463.258 17.734 14.25766       33.75560 
1 1 1 -6  36 11 o 209.857 20.174 9.5262  1.7708 7.1471  3.6912  10.237  2.0182 174.620 48.292 217.137 22.263 -42.51740      53.17686 
1 1 1 -6  36 12 o 261.855 17.875 14.740  1.9703 11.359  4.0331  15.800  2.2582 220.995 44.631 270.688 19.837 -49.69316      48.84071 
1 1 1 -6  36 13 o 255.983 17.584 14.094  1.8947 12.169  3.8079  14.727  2.1842 230.160 40.549 261.137 19.901 -30.97699      45.16942 
1 1 1 -6  36 14 o 218.890 17.724 10.334  1.6289 7.4360  2.4829  12.523  2.1583 180.896 33.650 240.153 21.447 -59.25774      39.90327 
1 1 1 -6  36 15 o 142.368 23.630 4.4995  1.3747 1.3604  2.5824  5.7408  1.6240 100.594 40.168 160.943 24.608 -60.34933      47.10701 
1 1 1 -6  36 16 o 161.716 25.440 5.8233  1.6847 7.6476  4.6237  5.5440  1.8091 176.600 55.483 156.852 28.275 19.74863       62.27261 
1 1 1 -6  36 17 o 476.077 13.782 48.452  2.7786 49.966  4.2542  47.325  3.6694 480.501 20.906 468.737 18.485 11.76447       27.90648 
1 1 1 -6  36 18 o 360.963 14.445 27.927  2.2081 26.818  3.2877  28.838  2.9803 350.172 22.286 364.568 19.373 -14.39520      29.52935 
1 1 1 -6  36 19 o 123.490 27.864 3.5163  1.4225 3.7585  2.0527  3.2924  1.9732 126.002 36.416 118.641 36.070 7.361404       51.25648 
1 1 1 -6  36 20 o 135.250 24.338 4.1423  1.3428 2.7962  1.8470  5.6513  1.9555 110.203 35.120 155.996 30.694 -45.79289      46.64232 
1 1 1 -6  36 21 o 206.499 18.855 9.3473  1.6307 8.6958  2.5136  9.8208  2.1428 193.273 31.818 209.267 24.652 -15.99370      40.25078 
1 1 1 -6  36 22 o 220.141 19.676 10.689  1.8150 11.364  2.9257  10.267  2.3142 219.965 32.375 212.470 26.280 7.495514       41.69878 
1 1 1 -6  36 23 o 182.888 21.113 7.4722  1.6052 10.716  2.7424  5.7821  1.9797 213.464 31.263 155.949 31.067 57.51582       44.07433 
1 1 1 -6  36 24 o 165.587 24.940 6.2729  1.6947 6.9128  2.4431  5.6796  2.3527 168.126 35.431 151.135 37.045 16.99034       51.26126 
1 1 1 -6  37 1  o 375.866 17.817 30.153  2.8360 28.137  4.8993  31.169  3.4779 358.398 32.637 380.836 21.654 -22.43784      39.16685 
1 1 1 -6  37 2  f 413.854 19.873 36.623  3.4830 36.349  4.7888  36.931  5.0751 409.523 27.777 412.289 29.257 -2.765717      40.34260 
1 1 1 -6  37 3  o 90.420  36.140 0.9545  2.0926 2.1618  3.1493  0.0000  2.8001 116.952 45.044 92.657  39.768 24.29506       60.08704 
1 1 1 -6  37 4  f 281.801 17.202 17.002  2.0431 19.938  2.9735  14.377  2.8120 303.933 23.279 257.094 26.193 46.83929       35.04258 
1 1 1 -6  37 5  o 494.104 21.686 52.322  4.5377 52.663  7.3860  52.116  5.7510 489.465 35.882 490.503 27.800 -1.037903      45.39165 
1 1 1 -6  37 6  o 275.926 15.949 16.284  1.8557 18.230  2.9278  14.976  2.3992 290.244 24.036 263.440 21.699 26.80426       32.38116 
1 1 1 -6  37 7  o 121.650 27.478 3.3218  1.3822 5.4236  2.1667  1.8796  1.7948 154.735 33.994 98.242  34.654 56.49328       48.54377 
1 1 1 -6  37 8  o 171.547 21.089 6.4033  1.4998 7.0831  2.4635  6.0030  1.8905 177.182 34.068 164.316 28.183 12.86604       44.21474 
1 1 1 -6  37 9  f 247.717 17.026 13.171  1.7752 12.306  2.5481  13.986  2.4746 237.333 25.767 253.865 23.277 -16.53215      34.72372 
1 1 1 -6  37 10 o 108.131 31.227 2.6151  1.5099 2.2735  2.5236  2.8056  1.8845 110.753 40.822 112.951 35.411 -2.197258      54.04034 
1 1 1 -6  37 11 o 124.341 26.012 3.4705  1.3257 4.6405  2.2204  2.8224  1.6526 142.068 36.660 112.140 32.752 29.92866       49.15917 
1 1 1 -6  37 12 o 166.873 21.727 6.0963  1.4990 9.1210  2.5440  4.4876  1.8553 201.941 30.716 140.279 31.945 61.66180       44.31623 
1 1 1 -6  37 13 o 154.597 22.277 5.2605  1.4164 5.1967  2.2825  5.3004  1.8062 149.903 36.334 153.381 28.866 -3.478424      46.40457 
1 1 1 -6  37 14 o 79.831  29.754 1.1039  1.3480 -0.6828 2.2940  2.0462  1.6660 77.538  34.546 98.753  33.452 -21.21525      48.08753 
1 1 1 -6  37 15 o 145.566 22.547 4.6911  1.3450 8.3909  2.3603  2.9121  1.6367 193.188 29.809 113.075 32.470 80.11327       44.07806 
1 1 1 -6  37 16 o 117.464 27.465 3.1485  1.3418 2.9494  2.8837  3.2035  1.5159 119.897 43.721 118.068 30.197 1.828880       53.13539 
1 1 1 -6  37 17 o 193.304 18.962 8.1513  1.5323 8.7186  2.5749  7.8403  1.9066 194.898 32.329 187.702 24.576 7.195770       40.60967 
1 1 1 -6  37 18 o 145.882 21.463 4.7328  1.2864 3.6848  1.9353  5.5623  1.7217 124.900 35.121 156.433 26.962 -31.53256      44.27702 
1 1 1 -6  37 19 o 110.594 28.560 2.8394  1.3469 2.8358  1.7230  2.8451  2.1599 110.485 33.732 112.198 38.089 -1.713303      50.87840 
1 1 1 -6  37 20 o 85.184  27.507 1.6026  1.1302 2.4874  1.7182  0.9278  1.5006 104.372 33.934 78.374  30.832 25.99770       45.84923 
1 1 1 -6  37 21 o 116.366 27.745 3.1708  1.3480 6.5982  2.1230  0.8554  1.7449 167.511 31.071 80.765  32.746 86.74598       45.14091 
1 1 1 -6  37 22 o 139.757 24.308 4.4771  1.3864 4.1264  2.2609  4.6885  1.7552 128.688 38.496 140.363 30.406 -11.67509      49.05613 
1 1 1 -6  37 23 o 53.991  23.907 -0.2424 1.0820 -1.1163 2.1099  0.0694  1.2603 68.558  31.551 61.954  26.637 6.604488       41.29196 
1 1 1 -6  38 1  o 427.234 16.710 38.969  3.0233 38.736  5.0102  39.102  3.7914 421.902 28.204 426.961 20.968 -5.059692      35.14468 
1 1 1 -6  38 2  o 414.285 17.048 36.652  2.9910 39.271  4.9781  35.173  3.7416 425.013 27.811 404.149 21.944 20.86411       35.42592 
1 1 1 -6  38 3  o 98.929  34.765 1.9244  1.8049 -0.9137 3.2293  3.2139  2.1767 92.382  41.084 120.932 38.081 -28.55018      56.01839 
1 1 1 -6  38 4  o 492.008 21.508 51.962  4.4815 47.566  7.2476  54.683  5.7023 463.196 37.263 502.136 26.914 -38.93982      45.96600 
1 1 1 -6  38 5  o 264.112 47.985 16.188  5.1694 16.188  5.1694  0.0000  0.0000 264.112 47.985 ?       ?      0.000000       47.98541 
1 1 1 -6  38 6  o 186.295 24.612 7.6094  1.8942 7.0937  2.4472  8.3800  2.9917 177.207 33.843 191.594 38.212 -14.38690      51.04419 
1 1 1 -6  38 7  o 311.208 15.187 20.661  2.0015 24.557  3.2699  18.326  2.5311 336.921 23.056 291.486 20.638 45.43457       30.94331 
1 1 1 -6  38 8  o 271.868 16.801 15.858  1.9249 14.923  3.2045  16.387  2.4077 260.114 29.619 275.433 20.795 -15.31839      36.18967 
1 1 1 -6  38 9  f 174.342 23.367 6.6701  1.6818 4.7281  2.6914  7.9142  2.1542 143.286 41.781 188.922 27.752 -45.63565      50.15853 
1 1 1 -6  38 10 o 163.353 24.132 5.8889  1.6192 2.0094  2.4846  8.7527  2.1347 106.846 40.282 199.278 25.908 -92.43204      47.89444 
1 1 1 -6  38 11 o 355.367 13.977 26.947  2.1034 23.345  3.3034  29.404  2.7279 327.515 23.984 370.432 17.389 -42.91736      29.62434 
1 1 1 -6  38 12 o 355.210 13.759 26.928  2.0697 20.340  3.1862  31.737  2.7223 305.077 24.879 384.913 16.700 -79.83585      29.96411 
1 1 1 -6  38 13 o 475.809 13.344 48.315  2.6888 47.434  4.1366  48.959  3.5383 468.830 20.835 477.635 17.493 -8.804718      27.20415 
1 1 1 -6  38 14 o 102.645 29.265 2.3835  1.3342 2.8107  2.2293  2.1450  1.6653 113.972 38.696 100.083 33.448 13.88902       51.14832 
1 1 1 -6  38 15 o 225.609 28.884 11.405  2.6963 11.405  2.6963  0.0000  0.0000 225.609 28.884 ?       ?      0.000000       28.88372 
1 1 1 -6  38 16 o 366.928 14.005 28.842  2.1762 26.686  3.3485  30.419  2.8633 348.965 22.783 375.405 18.010 -26.43982      29.04203 
1 1 1 -6  38 17 o 321.123 15.148 22.172  2.0600 21.554  3.3304  22.554  2.6217 311.434 25.474 321.822 19.326 -10.38803      31.97547 
1 1 1 -6  38 18 o 53.837  24.046 -0.3850 1.1190 -0.8809 1.6529  0.0347  1.5204 62.107  28.335 67.873  29.221 -5.766644      40.70288 
1 1 1 -6  38 19 o 88.216  29.232 1.7059  1.2728 -1.1287 1.8159  4.4431  1.7845 63.542  29.253 137.339 31.369 -73.79691      42.89248 
1 1 1 -6  38 20 o 134.412 25.553 4.1538  1.4014 2.0850  2.0696  5.9056  1.9044 100.127 36.957 159.167 29.333 -59.04039      47.18292 
1 1 1 -6  38 21 o 119.198 27.474 3.3417  1.3584 2.9185  2.1387  3.6279  1.7588 111.119 37.900 122.326 33.132 -11.20706      50.34053 
1 1 1 -6  38 22 o 88.349  28.985 1.7696  1.2525 1.2566  2.2617  1.9966  1.5043 91.239  37.173 93.829  31.787 -2.590157      48.91059 
1 1 1 -6  39 1  o 473.672 15.866 47.916  3.1827 45.539  5.3729  49.201  3.9505 456.944 27.899 478.949 19.477 -22.00479      34.02485 
1 1 1 -6  39 2  o 198.497 43.308 9.1711  3.5382 9.1711  3.5382  0.0000  0.0000 198.497 43.308 ?       ?      0.000000       43.30835 
1 1 1 -6  39 3  o 390.614 16.600 32.610  2.7460 34.265  4.6971  31.751  3.3847 396.042 28.190 383.852 20.900 12.18964       35.09242 
1 1 1 -6  39 4  o 133.501 31.283 4.0489  1.7377 4.6228  2.7552  3.6699  2.2393 142.097 42.495 127.503 38.351 14.59389       57.24131 
1 1 1 -6  39 5  o 332.911 20.367 23.893  2.8576 16.583  6.2515  25.824  3.2130 260.764 58.097 345.626 22.066 -84.86151      62.14669 
1 1 1 -6  39 6  o 284.818 19.123 17.477  2.2932 15.247  2.9102  21.130  3.7243 263.846 26.400 310.151 28.680 -46.30487      38.98064 
1 1 1 -6  39 7  o 382.608 17.527 31.350  2.8398 31.492  3.6570  31.134  4.5073 381.373 22.746 376.868 28.451 4.504608       36.42586 
1 1 1 -6  39 8  o 262.565 22.180 14.974  2.4432 12.259  3.1804  18.882  3.8162 233.747 33.050 291.644 31.393 -57.89706      45.58329 
1 1 1 -6  39 9  o 199.150 20.582 8.6264  1.7108 10.016  2.6165  7.5887  2.2611 211.840 30.004 183.877 30.078 27.96284       42.48421 
1 1 1 -6  39 10 o 382.921 16.753 31.413  2.7167 31.636  3.5626  31.103  4.1996 382.037 22.114 376.916 26.478 5.120880       34.49814 
1 1 1 -6  39 11 o 417.549 13.409 37.208  2.3711 37.069  3.7025  37.305  3.0872 413.842 21.197 416.952 17.484 -3.110443      27.47725 
1 1 1 -6  39 12 o 156.928 22.964 5.4449  1.4810 6.3930  2.4641  4.9088  1.8530 165.985 36.084 146.571 30.829 19.41371       47.46028 
1 1 1 -6  39 13 o 125.800 27.363 3.5996  1.4163 3.6194  2.3829  3.5888  1.7611 125.801 39.869 124.631 32.888 1.170044       51.68325 
1 1 1 -6  39 14 o 330.596 14.635 23.413  2.0490 20.865  3.2470  25.099  2.6414 307.734 25.135 340.693 18.375 -32.95908      31.13512 
1 1 1 -6  39 15 o 153.286 28.718 5.3728  1.7958 5.1294  2.3401  5.7214  2.8006 146.694 37.520 153.544 41.901 -6.850159      56.24456 
1 1 1 -6  39 16 o 265.004 15.663 15.170  1.7500 10.973  2.6897  18.251  2.3045 219.488 29.699 289.493 18.901 -70.00458      35.20370 
1 1 1 -6  39 17 o 150.798 23.460 5.1118  1.4495 4.0392  2.5609  5.6173  1.7582 129.593 41.360 156.649 27.506 -27.05539      49.67101 
1 1 1 -6  39 18 o 188.019 22.445 7.8737  1.7518 -0.9687 4.6956  9.3035  1.8881 105.512 47.991 204.700 22.133 -99.18726      52.84859 
1 1 1 -6  39 19 o 114.336 26.569 3.0423  1.2620 4.0650  1.8301  2.1151  1.7426 130.124 33.125 98.074  34.177 32.04959       47.59525 
1 1 1 -6  39 20 o 82.238  28.991 1.4258  1.2559 1.4979  1.9847  1.3776  1.6220 91.196  35.580 85.510  32.473 5.685104       48.17064 
1 1 1 -6  39 21 o 134.392 25.646 4.1970  1.4064 6.1060  2.1838  2.8443  1.8383 158.422 33.593 108.772 35.076 49.65005       48.56736 
1 1 1 -6  39 22 o 115.786 29.410 3.2120  1.4449 2.7358  2.2817  3.5308  1.8669 108.467 38.986 119.703 34.767 -11.23561      52.23656 
1 1 1 -6  40 1  o 193.309 26.506 8.2653  2.1128 12.466  3.6827  6.2045  2.5795 233.423 38.603 163.652 37.956 69.77124       54.13749 
1 1 1 -6  40 2  o 142.749 30.957 4.6338  1.8176 5.8130  3.1287  4.0331  2.2330 157.328 44.801 132.544 37.886 24.78455       58.67266 
1 1 1 -6  40 3  o 328.527 15.926 23.078  2.2158 21.772  3.2861  24.168  3.0005 316.026 24.751 334.270 21.307 -18.24353      32.65872 
1 1 1 -6  40 4  o 93.620  31.258 1.8405  1.4544 2.4247  2.1467  1.3450  1.9773 108.681 37.930 92.547  35.679 16.13438       52.07351 
1 1 1 -6  40 5  o 232.080 25.009 11.812  2.4192 0.0000  0.0000  11.812  2.4192 ?       ?      232.080 25.009 0.000000       25.00901 
1 1 1 -6  40 6  o 254.397 18.671 13.969  1.9975 15.880  3.6809  13.171  2.3781 266.110 33.398 245.737 23.124 20.37273       40.62194 
1 1 1 -6  40 7  o 195.907 21.149 8.3683  1.7268 11.203  3.6434  7.5472  1.9610 219.709 40.655 184.625 25.785 35.08376       48.14204 
1 1 1 -6  40 8  f 164.754 24.765 6.0185  1.6744 8.8148  2.8305  4.5131  2.0768 196.268 35.355 139.696 35.138 56.57127       49.84612 
1 1 1 -6  40 9  o 105.567 35.997 2.3563  1.9292 2.6045  2.4514  1.9524  3.1271 113.125 40.436 112.468 44.424 0.6570053      60.07109 
1 1 1 -6  40 10 o 299.920 19.683 19.467  2.4861 17.252  3.1408  23.183  4.0682 279.653 26.851 322.960 30.091 -43.30685      40.32920 
1 1 1 -6  40 11 o 164.180 27.656 6.0633  1.8545 6.8431  2.5609  5.2033  2.6892 171.482 36.390 148.251 41.299 23.23051       55.04373 
1 1 1 -6  40 12 o 58.153  26.720 -1.0058 1.5052 0.4260  2.1227  -2.4538 2.1346 83.758  35.229 62.391  29.659 21.36641       46.05140 
1 1 1 -6  40 13 o 204.321 22.338 9.1917  1.9014 9.9653  2.5904  8.2880  2.7997 209.779 30.013 188.159 36.452 21.62009       47.21806 
1 1 1 -6  40 14 o 446.244 16.108 42.871  3.0440 43.088  3.8833  42.524  4.9025 445.053 20.604 437.590 26.581 7.463348       33.63099 
1 1 1 -6  40 15 o 114.933 35.525 3.0859  1.9042 -1.5136 3.0037  6.1765  2.4623 82.269  37.781 160.433 36.997 -78.16382      52.87873 
1 1 1 -6  40 16 o 175.930 19.597 6.8180  1.4353 6.4768  2.3417  7.0234  1.8165 165.106 34.598 176.536 24.996 -11.43027      42.68228 
1 1 1 -6  40 17 o 265.336 20.924 15.509  2.3321 16.950  3.1131  13.666  3.5205 273.913 27.197 240.428 35.656 33.48459       44.84487 
1 1 1 -6  40 18 o 117.971 32.673 3.3265  1.6883 2.5612  2.4771  3.9905  2.3072 109.054 40.396 127.556 39.050 -18.50156      56.18494 
1 1 1 -6  40 19 o 187.443 24.298 7.9743  1.8834 8.3910  2.3798  7.2757  3.0810 188.702 30.846 167.680 43.140 21.02213       53.03300 
1 1 1 -6  40 20 o 85.063  33.401 1.2540  1.7579 -0.0311 2.0536  4.7780  3.4006 75.810  33.277 134.898 47.688 -59.08832      58.15036 
1 1 1 -6  40 21 o 180.266 31.979 7.8017  2.3519 7.8017  2.3519  0.0000  0.0000 180.266 31.979 ?       ?      0.000000       31.97902 
1 1 1 -6  41 1  o 151.618 31.603 5.2473  1.9634 5.6603  3.5418  5.0640  2.3591 154.934 48.541 147.443 37.650 7.490555       61.43103 
1 1 1 -6  41 2  o 218.105 22.182 10.385  2.0203 9.7920  3.4820  10.686  2.4806 204.442 41.632 219.644 27.253 -15.20189      49.75932 
1 1 1 -6  41 3  o 70.361  29.533 0.2379  1.4868 2.5138  2.1528  -1.8375 2.0558 109.647 38.000 64.699  30.241 44.94726       48.56438 
1 1 1 -6  41 4  o 138.783 27.710 4.3515  1.5716 5.0557  2.3056  3.7404  2.1479 147.404 36.993 127.570 37.361 19.83431       52.57693 
1 1 1 -6  41 5  o 99.426  34.389 2.0406  1.7627 -2.2596 5.3342  2.5677  1.8676 110.857 50.702 108.372 35.386 2.485039       61.82906 
1 1 1 -6  41 6  f 293.119 16.450 18.471  2.0338 18.944  3.3661  18.198  2.5523 293.021 27.446 289.597 20.952 3.423950       34.52940 
1 1 1 -6  41 7  o 214.353 20.114 9.9927  1.8046 12.647  3.7485  9.1920  2.0588 233.680 39.271 204.274 24.274 29.40530       46.16777 
1 1 1 -6  41 8  o 123.718 31.834 3.5225  1.6775 -4.3034 3.6513  5.6164  1.8887 80.057  38.260 157.373 29.420 -77.31625      48.26398 
1 1 1 -6  41 9  o 208.436 22.906 9.5428  1.9886 8.7809  4.0562  9.7839  2.2816 188.781 49.958 209.937 26.236 -21.15617      56.42838 
1 1 1 -6  41 10 o 258.262 18.797 14.457  2.0418 8.2551  4.2427  16.327  2.3292 181.667 52.310 274.049 20.212 -92.38281      56.07957 
1 1 1 -6  41 11 o 88.453  30.208 1.6368  1.3586 4.8230  2.3078  -0.0532 1.6808 142.728 37.641 70.728  30.585 71.99990       48.50070 
1 1 1 -6  41 12 o 249.711 15.999 13.465  1.6830 13.709  2.6886  13.307  2.1581 248.140 25.970 246.585 20.862 1.555099       33.31147 
1 1 1 -6  41 13 o 98.023  29.974 2.1835  1.3598 2.4620  2.2663  2.0268  1.6997 107.899 38.846 97.382  33.764 10.51640       51.46884 
1 1 1 -6  41 14 o 142.861 30.925 4.7769  1.8167 7.7988  2.5454  1.6391  2.5937 181.867 34.307 100.979 40.277 80.88806       52.90733 
1 1 1 -6  41 15 o 95.974  34.620 1.9101  1.8010 2.7460  2.8587  1.3600  2.3192 114.638 43.211 94.699  37.977 19.93893       57.52764 
1 1 1 -6  41 16 o 144.767 29.776 4.9009  1.7645 9.7318  2.4678  -0.1529 2.5240 205.800 29.129 83.434  36.750 122.3660       46.89419 
1 1 1 -6  41 17 o 188.292 25.335 8.0487  1.9689 7.2556  2.6003  9.1144  3.0143 172.572 36.709 192.963 38.238 -20.39075      53.00679 
1 1 1 -6  41 18 o 115.678 34.722 3.2517  1.8370 8.0891  2.6953  -0.9449 2.5104 181.649 36.307 76.580  34.931 105.0685       50.38234 
1 1 1 -6  41 19 o 85.278  31.135 1.5069  1.4631 2.7219  2.0257  0.1821  2.1153 107.162 36.877 78.579  34.146 28.58303       50.25771 
1 1 1 -6  41 20 o 123.945 28.931 3.6781  1.4909 4.2546  2.2484  3.2256  1.9919 129.335 38.321 114.317 36.475 15.01759       52.90521 
1 1 1 -6  42 1  o 179.221 33.794 7.3741  2.4708 10.104  3.2934  3.8593  3.7370 208.310 38.760 135.412 49.711 72.89748       63.03572 
1 1 1 -6  42 2  o 117.888 33.499 3.1886  1.7511 4.6524  3.1116  2.5101  2.1185 141.442 45.637 108.973 37.699 32.46860       59.19463 
1 1 1 -6  42 3  o 97.087  31.240 2.0582  1.4588 4.3759  2.1166  -0.0389 2.0133 137.037 36.004 77.587  33.513 59.44971       49.18753 
1 1 1 -6  42 4  o 79.399  29.896 1.0711  1.3677 -0.0443 2.0198  2.0155  1.8586 77.637  33.551 99.684  35.254 -22.04777      48.66697 
1 1 1 -6  42 5  o 157.120 22.525 5.4581  1.4559 4.9985  2.3265  5.7540  1.8666 145.948 37.454 159.469 28.695 -13.52058      47.18282 
1 1 1 -6  42 6  o 159.483 28.917 5.7651  1.8811 7.5876  2.8549  4.3669  2.5007 179.669 38.667 136.446 40.412 43.22209       55.93045 
1 1 1 -6  42 7  o 228.456 18.099 11.307  1.7367 11.744  2.9420  11.074  2.1516 227.944 31.303 224.542 22.950 3.401917       38.81485 
1 1 1 -6  42 8  o 154.790 24.677 5.3578  1.5633 3.2790  2.7202  6.3829  1.9103 122.325 42.697 168.164 27.794 -45.83948      50.94641 
1 1 1 -6  42 9  o 248.998 18.255 13.447  1.9115 14.232  3.0622  12.946  2.4467 251.682 29.277 242.140 24.184 9.541565       37.97398 
1 1 1 -6  42 10 f 49.704  23.590 -1.5475 1.3398 -1.8000 2.4372  -1.4381 1.6040 71.633  33.295 56.979  26.658 14.65413       42.65243 
1 1 1 -6  42 11 o 323.593 16.472 22.631  2.2499 25.694  4.5761  21.655  2.5837 335.316 32.639 315.263 19.447 20.05319       37.99327 
1 1 1 -6  42 12 o 136.136 26.345 4.2419  1.4640 2.5199  3.1297  4.7243  1.6564 114.865 44.717 143.112 28.332 -28.24689      52.93738 
1 1 1 -6  42 13 o 125.152 27.844 3.6360  1.4377 9.5057  3.1026  2.0310  1.6224 198.533 38.289 96.396  33.010 102.1379       50.55389 
1 1 1 -6  42 14 o 72.308  28.867 0.7034  1.3334 -0.7684 3.1830  1.0167  1.4685 88.713  40.012 79.012  30.667 9.700935       50.41268 
1 1 1 -6  42 15 o 141.662 31.329 4.7499  1.8296 8.9478  3.5415  3.2215  2.1369 186.990 45.218 116.484 37.842 70.50556       58.96364 
1 1 1 -6  42 16 o 95.414  32.603 2.0312  1.5826 -5.0747 3.0381  4.6774  1.8540 65.723  32.210 139.814 32.003 -74.09092      45.40602 
1 1 1 -6  42 17 o 131.733 32.782 4.2188  1.8215 -2.1524 3.9517  5.9377  2.0526 89.335  41.811 157.315 31.901 -67.97977      52.59125 
1 1 1 -6  42 18 o 323.618 23.849 23.668  3.2455 26.794  5.9083  22.318  3.8839 321.059 44.665 308.565 30.105 12.49393       53.86335 
1 1 1 -6  42 19 o 85.995  33.404 1.3688  1.7435 0.0000  0.0000  1.3688  1.7435 ?       ?      85.995  33.404 0.000000       33.40449 
1 1 1 -6  43 1  f 123.536 40.151 3.4940  2.4055 7.9566  3.1813  -2.4639 3.6758 181.897 42.127 88.046  40.913 93.85117       58.72429 
1 1 1 -6  43 2  o 293.820 22.569 18.897  2.7868 20.242  3.7249  17.188  4.2000 300.693 29.637 272.611 37.363 28.08258       47.68970 
1 1 1 -6  43 3  o 117.148 34.612 3.1673  1.8363 1.4530  2.2552  6.5403  3.1633 96.415  37.839 164.006 44.439 -67.59017      58.36683 
1 1 1 -6  43 4  o 291.532 19.533 18.459  2.3976 19.311  2.9458  16.789  4.1269 296.502 23.657 269.382 37.165 27.11963       44.05544 
1 1 1 -6  43 5  f 116.907 32.359 3.1654  1.6565 3.4610  2.2705  2.8290  2.4222 122.520 38.927 114.615 40.274 7.905296       56.01168 
1 1 1 -6  43 6  o 105.932 35.127 2.4820  1.8378 4.5439  2.8459  1.0071  2.4070 138.174 43.548 93.416  38.237 44.75832       57.95232 
1 1 1 -6  43 7  o 166.456 28.288 6.3003  1.9227 6.0882  2.8082  6.4875  2.6380 158.480 41.391 164.762 38.500 -6.282455      56.52849 
1 1 1 -6  43 8  o 101.799 34.657 2.2582  1.7883 -0.5782 2.6582  4.6034  2.4170 83.315  37.148 138.431 39.363 -55.11531      54.12415 
1 1 1 -6  43 9  o 121.654 34.623 3.4931  1.8692 2.7843  2.8030  4.0606  2.5083 115.567 42.939 130.299 40.854 -14.73227      59.26905 
1 1 1 -6  43 10 o 458.999 16.686 45.518  3.2434 54.457  4.3830  34.696  4.8222 499.359 20.726 391.829 29.272 107.5300       35.86669 
1 1 1 -6  43 11 o 125.169 31.905 3.7075  1.6962 2.3099  2.6682  4.6555  2.1974 108.483 41.540 138.667 36.806 -30.18343      55.50028 
1 1 1 -6  43 12 o 130.108 30.121 3.9800  1.6269 5.8690  2.4431  2.4750  2.1808 155.162 37.579 106.539 38.132 48.62312       53.53741 
1 1 1 -6  43 13 o 177.968 25.224 7.1761  1.8479 7.9422  2.7296  6.5280  2.5107 181.246 36.818 163.793 37.061 17.45270       52.24094 
1 1 1 -6  43 14 f 267.299 19.434 15.703  2.1849 16.687  3.0432  14.658  3.1388 271.206 26.849 251.998 30.002 19.20818       40.26154 
1 1 1 -6  43 15 o 155.161 28.973 5.6436  1.8338 4.2164  3.5254  6.1730  2.1471 130.741 48.239 160.471 32.705 -29.72995      58.28010 
1 1 1 -6  43 16 o 77.897  28.954 1.1752  1.2748 3.5543  2.2625  0.0686  1.5430 119.694 38.941 67.710  29.293 51.98435       48.72817 
1 1 1 -6  43 17 o 170.222 23.193 6.6038  1.6284 8.8105  3.6134  6.0414  1.8241 179.408 46.997 160.256 27.891 19.15239       54.65050 
1 1 1 -6  43 18 o 217.014 19.892 10.509  1.8078 6.0631  3.8123  11.799  2.0533 146.070 50.571 229.135 21.408 -83.06453      54.91548 
1 1 1 -6  43 19 o 154.133 24.296 5.4826  1.5334 3.7608  2.8004  6.2199  1.8325 121.485 43.240 162.531 27.612 -41.04608      51.30430 
1 1 1 -6  44 1  o 114.338 39.096 2.9356  2.2758 0.0000  0.0000  2.9356  2.2758 ?       ?      114.338 39.096 0.000000       39.09577 
1 1 1 -6  44 2  o 98.025  36.593 1.8442  2.0405 0.0000  0.0000  1.8442  2.0405 ?       ?      98.025  36.593 0.000000       36.59311 
1 1 1 -6  44 3  o 170.169 30.351 6.6657  2.1070 7.8105  4.9656  6.4144  2.3269 172.285 57.756 165.112 34.394 7.172760       67.22115 
1 1 1 -6  44 4  o 68.480  27.778 0.5116  1.2562 -0.6338 2.0656  1.1839  1.5825 72.616  32.535 83.546  31.991 -10.92997      45.62851 
1 1 1 -6  44 5  o 116.476 35.492 3.1734  1.9088 2.7154  2.6594  3.6601  2.7414 113.779 41.911 125.588 42.910 -11.80895      59.98109 
1 1 1 -6  44 6  o 110.712 33.574 2.8499  1.7111 2.5343  2.6202  3.0846  2.2594 111.213 41.477 116.001 38.958 -4.788368      56.90388 
1 1 1 -6  44 7  o 142.148 30.843 4.7265  1.8034 1.8212  2.6528  7.2226  2.4589 103.514 40.908 174.840 34.434 -71.32661      53.47112 
1 1 1 -6  44 8  o 156.788 30.802 5.7369  1.9723 2.3306  2.8368  8.9238  2.7439 110.202 42.665 194.447 34.589 -84.24525      54.92463 
1 1 1 -6  44 9  o 107.624 41.149 2.2875  2.6157 2.2875  2.6157  0.0000  0.0000 107.624 41.149 ?       ?      0.000000       41.14866 
1 1 1 -6  44 10 o 141.650 27.309 4.6340  1.5788 8.1647  2.6551  2.7028  1.9637 184.937 35.187 108.452 36.320 76.48520       50.56915 
1 1 1 -6  44 11 o 198.523 18.806 8.6627  1.5623 8.1704  2.6349  8.9296  1.9400 184.915 34.928 199.644 23.389 -14.72842      42.03572 
1 1 1 -6  44 12 o 159.224 25.020 5.7733  1.6315 1.0725  4.0535  6.6820  1.7822 109.577 47.441 171.387 25.317 -61.80926      53.77381 
1 1 1 -6  44 13 o 115.341 30.961 3.1734  1.5441 3.4455  3.6723  3.1150  1.7018 124.392 48.436 113.956 33.222 10.43578       58.73415 
1 1 1 -6  44 14 o 81.389  33.520 0.8091  1.8640 1.8271  2.9920  0.1634  2.3830 104.250 42.647 82.774  36.102 21.47621       55.87551 
1 1 1 -6  44 15 f 159.768 29.411 6.0530  1.9167 11.320  3.5399  3.8683  2.2797 210.365 41.209 123.774 38.971 86.59105       56.71797 
1 1 1 -6  44 16 o 180.881 21.282 7.3766  1.5991 12.298  3.0277  5.4729  1.8831 225.934 32.585 150.692 30.554 75.24214       44.66929 
1 1 1 -6  44 17 o 129.277 26.041 3.9367  1.3764 2.3305  2.3024  4.8299  1.7169 102.457 38.741 141.671 29.573 -39.21350      48.73791 
1 1 1 -6  44 18 o 84.931  29.746 1.5937  1.3208 2.8229  2.3872  1.0514  1.5856 108.808 39.764 79.560  31.567 29.24879       50.77079 
1 1 1 -6  45 1  o 76.006  33.152 -0.0631 2.0097 -0.1574 3.1758  -0.0001 2.5955 92.773  41.025 85.922  37.570 6.851814       55.62862 
1 1 1 -6  45 2  o 165.057 24.951 6.1604  1.6896 7.1953  2.4324  5.1954  2.3488 174.249 34.184 146.104 37.707 28.14453       50.89554 
1 1 1 -6  45 3  o 172.939 29.372 6.9047  2.0742 0.8702  5.0591  8.1240  2.2741 118.419 52.099 187.786 29.574 -69.36718      59.90738 
1 1 1 -6  45 4  o 140.239 29.079 4.5785  1.6703 1.6629  4.3133  5.0928  1.8117 116.941 49.750 147.713 29.985 -30.77147      58.08803 
1 1 1 -6  45 5  o 262.693 19.790 15.144  2.1854 18.380  5.4408  14.522  2.3864 267.068 49.942 256.042 22.229 11.02689       54.66539 
1 1 1 -6  45 6  o 85.314  34.884 0.8985  2.0007 2.9639  4.7361  0.4499  2.2073 128.413 53.208 83.787  35.616 44.62624       64.02815 
1 1 1 -6  45 7  o 180.377 26.141 7.4002  1.9387 13.415  4.2273  5.7982  2.1817 230.817 44.863 155.682 34.039 75.13445       56.31451 
1 1 1 -6  45 8  o 165.020 26.030 6.2152  1.7588 4.1069  4.5197  6.5914  1.9093 135.176 53.403 169.329 27.574 -34.15263      60.10186 
1 1 1 -6  45 9  o 116.695 32.897 3.2517  1.6957 7.8423  3.7424  2.0657  1.9022 172.022 49.003 98.527  35.573 73.49512       60.55384 
1 1 1 -6  45 10 o 139.422 30.061 4.5873  1.7227 8.9896  4.1270  3.6585  1.8957 182.051 51.320 122.949 34.825 59.10301       62.02073 
1 1 1 -6  45 11 o 203.547 23.020 9.3027  1.9495 7.6350  4.1945  9.7622  2.2017 166.035 52.926 207.201 25.638 -41.16631      58.80874 
1 1 1 -6  45 12 o 171.745 24.275 6.7158  1.7163 7.0677  4.0123  6.6370  1.8989 159.406 51.857 169.135 27.451 -9.729156      58.67440 
1 1 1 -6  45 13 o 190.335 19.708 8.0646  1.5655 7.5278  2.6570  8.3501  1.9376 173.648 37.247 191.268 24.483 -17.62047      44.57314 
1 1 1 -6  45 14 o 143.822 31.183 5.0133  1.8445 4.7315  2.4894  5.3562  2.7466 134.929 40.402 142.262 42.402 -7.332611      58.56836 
1 1 1 -6  45 15 o 67.799  28.713 0.3181  1.4257 2.1926  2.2426  -0.9536 1.8471 100.400 38.169 64.169  29.527 36.23129       48.25689 
1 1 1 -6  45 16 o 84.886  28.955 1.6250  1.2483 3.0694  2.0199  0.7325  1.5877 111.082 36.826 75.436  30.987 35.64583       48.12802 
1 1 1 -6  45 17 o 198.349 19.062 8.7770  1.5814 4.8176  2.6226  11.039  1.9824 134.464 41.712 221.211 21.430 -86.74663      46.89457 
1 1 1 -6  46 1  o 110.995 33.932 2.9139  1.7428 7.7307  2.9085  0.2158  2.1769 176.791 39.806 80.967  34.910 95.82411       52.94595 
1 1 1 -6  46 2  f 80.834  32.164 0.9659  1.6504 1.9122  2.1378  -0.4300 2.5966 98.614  37.320 82.248  36.691 16.36593       52.33542 
1 1 1 -6  46 3  o 100.883 33.323 2.3212  1.6545 -0.2432 2.2055  5.6211  2.5019 77.460  34.224 150.702 38.927 -73.24134      51.83264 
1 1 1 -6  46 4  f 107.095 29.950 2.6984  1.4114 0.0643  2.4675  3.9792  1.7207 84.041  36.693 129.237 31.684 -45.19621      48.47943 
1 1 1 -6  46 5  o 79.223  30.957 1.0127  1.5042 4.8287  2.6173  -0.8694 1.8381 138.846 41.394 65.659  29.926 73.18691       51.07891 
1 1 1 -6  46 6  o 117.544 37.195 3.3210  2.0745 2.5646  4.4794  3.5276  2.3407 122.787 51.383 120.865 39.622 1.922279       64.88528 
1 1 1 -6  46 7  f 226.712 19.582 11.333  1.8616 14.160  3.1777  9.8562  2.2971 246.642 31.115 207.805 26.722 38.83641       41.01466 
1 1 1 -6  46 8  o 136.878 27.666 4.3731  1.5485 4.0505  2.7059  4.5302  1.8883 127.803 42.635 137.100 32.936 -9.297203      53.87459 
1 1 1 -6  46 9  o 191.835 22.381 8.2594  1.7841 9.3914  2.8582  7.5369  2.2836 196.919 35.583 178.492 31.355 18.42728       47.42631 
1 1 1 -6  46 10 o 98.076  32.027 2.2333  1.5299 4.0816  2.7748  1.4260  1.8339 127.264 43.172 88.406  34.282 38.85818       55.12786 
1 1 1 -6  46 11 o 151.454 25.423 5.3051  1.5729 5.2283  2.5901  5.3500  1.9797 142.186 40.852 148.475 32.395 -6.288895      52.13742 
1 1 1 -6  46 12 o 154.235 23.961 5.4680  1.5143 5.4741  2.5963  5.4649  1.8642 144.805 40.664 150.879 30.229 -6.073746      50.66911 
1 1 1 -6  46 13 o 110.569 27.889 2.9339  1.3058 3.0119  2.4774  2.9039  1.5365 111.499 40.544 108.990 31.508 2.509010       51.34799 
1 1 1 -6  46 14 o 91.700  35.896 1.6403  2.0252 5.1193  3.1993  -0.6858 2.6160 136.158 46.356 78.531  35.758 57.62670       58.54451 
1 1 1 -6  46 15 o 139.556 24.486 4.5395  1.3944 4.2592  2.5111  4.6644  1.6766 127.001 41.000 138.873 29.422 -11.87157      50.46449 
1 1 1 -6  47 1  o 94.250  32.815 1.9583  1.6063 1.4819  2.4318  2.3269  2.1395 96.040  38.756 103.269 37.659 -7.228912      54.03903 
1 1 1 -6  47 2  f 54.540  25.568 -1.3097 1.4883 0.4882  2.6102  -2.1757 1.8116 88.985  38.298 56.197  26.883 32.78762       46.79148 
1 1 1 -6  47 3  o 381.730 15.335 31.542  2.4791 30.560  3.7352  32.315  3.3143 369.299 24.014 382.613 20.529 -13.31415      31.59293 
1 1 1 -6  47 4  f 57.252  26.687 -1.2359 1.5837 -0.2819 2.2269  -2.2121 2.2527 77.020  34.191 64.656  30.658 12.36378       45.92338 
1 1 1 -6  47 5  o 142.512 35.355 4.9877  2.1235 6.7121  3.1252  3.5088  2.8942 160.216 44.482 121.163 43.859 39.05358       62.46783 
1 1 1 -6  47 6  o 153.492 59.468 6.6673  5.5145 6.6673  5.5145  0.0000  0.0000 153.492 59.468 ?       ?      0.000000       59.46834 
1 1 1 -6  47 7  o 148.540 27.594 5.1615  1.6719 8.8651  2.9816  3.4628  2.0192 188.341 38.676 118.635 36.567 69.70606       53.22636 
1 1 1 -6  47 8  o 118.111 30.511 3.3633  1.5370 -0.6040 2.8907  4.9268  1.8147 83.945  37.972 143.212 30.834 -59.26669      48.91403 
1 1 1 -6  47 9  o 124.507 30.022 3.7390  1.5646 2.6221  2.8273  4.2320  1.8784 109.619 42.550 130.884 33.690 -21.26531      54.27252 
1 1 1 -6  47 10 o 151.857 27.093 5.4220  1.6785 11.242  2.8455  2.3169  2.0786 216.244 32.042 101.165 37.084 115.0789       49.00944 
1 1 1 -6  47 11 o 86.977  30.732 1.6755  1.4121 0.2504  2.3604  2.4698  1.7622 81.960  35.833 101.594 34.404 -19.63393      49.67577 
1 1 1 -6  47 12 o 75.277  29.452 0.9773  1.3628 -1.9966 2.3847  2.4194  1.6606 67.037  31.716 100.282 33.397 -33.24489      46.05726 
1 1 1 -6  47 13 o 172.401 20.706 6.7223  1.4815 6.5960  2.5451  6.7870  1.8220 159.415 38.199 170.188 26.114 -10.77345      46.27151 
1 1 1 -6  47 14 o 159.293 24.649 5.9031  1.6091 -3.0026 3.9754  7.6480  1.7597 83.689  39.976 182.476 23.303 -98.78699      46.27185 
1 1 1 -6  48 1  o 101.589 32.999 2.4514  1.6250 2.3565  2.5406  2.5171  2.1139 105.068 40.461 104.481 37.528 0.5865479      55.18518 
1 1 1 -6  48 2  o 89.907  32.186 1.7550  1.5538 1.0893  2.2405  2.3718  2.1566 88.830  36.685 102.851 37.763 -14.02096      52.64805 
1 1 1 -6  48 3  o 76.668  29.719 1.0196  1.3778 -0.5006 2.5668  1.6349  1.6329 79.879  35.989 88.745  32.813 -8.866325      48.70181 
1 1 1 -6  48 4  o 196.546 21.554 8.6886  1.7647 8.2887  3.5797  8.8170  2.0282 173.788 47.350 196.099 24.991 -22.31180      53.54027 
1 1 1 -6  48 5  o 102.023 31.508 2.4951  1.4983 5.8274  2.7571  1.0985  1.7849 148.742 41.952 83.101  33.320 65.64119       53.57434 
1 1 1 -6  48 6  o 153.445 58.276 7.2087  5.2242 7.2087  5.2242  0.0000  0.0000 153.445 58.276 ?       ?      0.000000       58.27576 
1 1 1 -6  48 7  o 144.816 43.419 5.6430  2.8736 5.6430  2.8736  0.0000  0.0000 144.816 43.419 ?       ?      0.000000       43.41857 
1 1 1 -6  48 8  o 98.843  36.053 2.2221  1.9610 5.3770  2.9201  -0.3696 2.6467 140.635 44.078 81.202  36.568 59.43309       57.27237 
1 1 1 -6  48 9  o 118.615 37.633 3.5966  2.1227 3.5505  2.7396  3.6656  3.3576 117.998 42.677 120.550 46.488 -2.552719      63.10696 
1 1 1 -6  48 10 o 65.100  28.386 0.0205  1.4723 5.6883  2.8615  -2.0204 1.7171 144.097 43.355 54.336  26.040 89.76047       50.57384 
1 1 1 -6  48 11 o 115.900 30.533 3.3104  1.5195 1.0351  2.5867  4.5092  1.8777 90.716  38.559 134.017 33.244 -43.30122      50.91112 
1 1 1 -6  48 12 o 97.140  30.725 2.2815  1.4157 1.9191  2.3463  2.4890  1.7754 97.012  38.429 101.246 34.532 -4.234459      51.66461 
1 1 1 -6  48 13 o 111.684 29.853 3.0640  1.4391 4.9835  2.5192  2.1342  1.7533 136.182 40.613 95.746  34.200 40.43535       53.09465 
1 1 1 -6  49 1  o 154.669 26.580 5.6284  1.6783 6.1929  2.7639  5.2987  2.1123 152.178 41.666 145.059 34.825 7.118744       54.30325 
1 1 1 -6  49 2  o 216.571 20.948 10.560  1.8973 7.5518  2.7321  13.362  2.6368 171.031 38.632 239.838 26.398 -68.80681      46.78993 
1 1 1 -6  49 3  o 110.775 32.033 3.0268  1.5880 6.2533  2.5536  0.9925  2.0277 154.903 38.964 84.339  34.870 70.56448       52.28827 
1 1 1 -6  49 4  o 122.306 29.900 3.6496  1.5357 4.3555  2.9810  3.3946  1.7917 127.439 44.685 116.340 34.137 11.09872       56.23245 
1 1 1 -6  49 5  o 93.805  32.694 2.0390  1.5946 3.4301  3.4708  1.6667  1.7954 118.465 46.799 89.766  34.146 28.69882       57.93159 
1 1 1 -6  49 6  o 251.174 34.702 15.609  3.5927 0.0000  0.0000  15.609  3.5927 ?       ?      251.174 34.702 0.000000       34.70244 
1 1 1 -6  49 7  o 225.217 21.802 11.503  2.0534 15.553  4.4290  10.394  2.3175 238.760 45.463 210.713 26.561 28.04680       52.65347 
1 1 1 -6  49 8  o 133.960 28.611 4.3410  1.5738 1.7511  3.0144  5.3115  1.8453 100.588 42.127 147.338 30.575 -46.74974      52.05302 
1 1 1 -6  49 9  o 87.064  31.188 1.6935  1.4591 -0.8470 2.8324  2.6112  1.7023 79.856  36.678 102.954 33.791 -23.09819      49.87140 
1 1 1 -6  49 10 o 81.124  34.782 0.5872  2.1382 -0.3920 2.8460  1.8561  3.2399 82.762  37.534 102.833 43.402 -20.07143      57.38061 
1 1 1 -6  49 11 o 221.573 26.202 11.495  2.4110 10.752  3.1492  12.548  3.7478 204.335 37.784 216.182 42.451 -11.84798      56.83097 
1 1 1 -6  50 1  o 114.019 32.496 3.2507  1.6453 3.3406  2.5765  3.1888  2.1380 114.441 41.388 112.035 37.896 2.405388       56.11672 
1 1 1 -6  50 2  o 122.372 29.447 3.6639  1.5076 4.1203  2.3614  3.3500  1.9587 124.778 39.704 114.552 36.130 10.22575       53.68245 
1 1 1 -6  50 3  o 59.845  26.272 -0.0850 1.2803 -1.0620 2.2555  0.3794  1.5552 70.091  32.386 70.336  29.897 -0.2449570     44.07612 
1 1 1 -6  50 4  o 99.188  31.352 2.4002  1.4743 4.4227  2.8531  1.6634  1.7221 127.203 43.765 88.650  33.508 38.55287       55.11960 
1 1 1 -6  50 5  o 78.005  30.571 1.0945  1.4703 -0.4259 2.8710  1.6351  1.7118 82.832  37.617 88.122  33.384 -5.290451      50.29473 
1 1 1 -6  50 6  f 79.921  31.960 1.0838  1.6374 -9.0087 5.0245  2.2831  1.7320 77.029  38.395 97.670  34.071 -20.64126      51.33203 
1 1 1 -6  50 7  o 86.552  32.011 1.6249  1.5543 4.2362  3.0030  0.6695  1.8165 124.432 44.725 77.431  32.580 47.00136       55.33339 
1 1 1 -6  50 8  o 119.247 39.012 3.7455  2.2696 4.7336  4.0274  3.2857  2.7475 129.015 50.587 113.503 42.444 15.51174       66.03497 
1 1 1 -6  51 3  o 207.501 20.335 9.7282  1.7640 11.031  3.0303  9.0607  2.1694 208.746 35.553 195.784 26.874 12.96175       44.56658 
1 1 1 -5  0  1  o 423.260 21.549 38.325  3.8397 36.937  5.4036  39.739  5.4571 413.059 31.304 428.951 30.391 0.000000       0.000000 
1 1 1 -5  0  2  o 286.053 31.694 18.046  3.7190 18.046  3.7190  0.0000  0.0000 286.053 31.694 286.053 31.694 -0.000000      0.000000 
1 1 1 -5  0  3  o 241.788 31.610 13.062  3.0836 0.0000  0.0000  13.062  3.0836 241.788 31.610 241.788 31.610 -0.000000      0.000000 
1 1 1 -5  0  4  o 283.669 21.112 17.362  2.5039 17.179  3.5935  17.535  3.4907 278.925 31.452 282.432 29.956 -0.000000      0.000000 
1 1 1 -5  0  5  o 927.389 22.754 182.986 8.9243 190.191 12.842  176.258 12.411 943.266 32.233 907.895 32.373 -0.000000      0.000000 
1 1 1 -5  0  6  o 1123.95 23.730 268.766 11.284 261.263 16.318  275.640 15.619 1105.05 34.949 1135.91 32.529 -0.000000      0.000000 
1 1 1 -5  0  7  o 312.573 19.407 20.976  2.5463 20.050  3.8645  21.686  3.3848 302.170 30.943 316.290 25.659 -0.000000      0.000000 
1 1 1 -5  0  8  o 561.644 18.907 67.189  4.4855 63.706  7.0053  69.610  5.8395 544.162 30.621 570.640 24.264 -0.000000      0.000000 
1 1 1 -5  0  9  o 510.478 16.254 55.460  3.5057 50.180  6.1267  58.030  4.2746 482.282 30.271 521.657 19.410 -0.000000      0.000000 
1 1 1 -5  0  10 o 598.464 25.496 76.686  6.4351 76.686  6.4351  0.0000  0.0000 598.464 25.496 598.464 25.496 -0.000000      0.000000 
1 1 1 -5  0  11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  0  12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  0  13 o 698.084 23.146 103.969 6.8256 103.969 6.8256  0.0000  0.0000 698.084 23.146 698.084 23.146 -0.000000      0.000000 
1 1 1 -5  0  14 o 204.898 32.444 9.5861  2.6040 9.5861  2.6040  0.0000  0.0000 204.898 32.444 204.898 32.444 -0.000000      0.000000 
1 1 1 -5  0  15 o 445.800 30.074 42.850  5.6185 42.850  5.6185  0.0000  0.0000 445.800 30.074 445.800 30.074 -0.000000      0.000000 
1 1 1 -5  0  16 o 129.516 39.949 4.4504  1.9173 4.4504  1.9173  0.0000  0.0000 129.516 39.949 129.516 39.949 -0.000000      0.000000 
1 1 1 -5  0  17 o 430.579 30.610 39.984  5.5168 0.0000  0.0000  39.984  5.5168 430.579 30.610 430.579 30.610 0.000000       0.000000 
1 1 1 -5  0  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  0  19 o 142.875 40.846 5.2779  2.1422 5.2779  2.1422  0.0000  0.0000 142.875 40.846 142.875 40.846 -0.000000      0.000000 
1 1 1 -5  0  20 o 463.000 31.157 46.196  6.0457 0.0000  0.0000  46.196  6.0457 463.000 31.157 463.000 31.157 0.000000       0.000000 
1 1 1 -5  0  21 o 633.879 31.778 86.144  8.4817 0.0000  0.0000  86.144  8.4817 633.879 31.778 633.879 31.778 0.000000       0.000000 
1 1 1 -5  0  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  0  23 o 397.117 32.026 34.234  5.3054 34.234  5.3054  0.0000  0.0000 397.117 32.026 397.117 32.026 -0.000000      0.000000 
1 1 1 -5  0  24 o 367.969 32.394 29.522  4.9581 29.522  4.9581  0.0000  0.0000 367.969 32.394 367.969 32.394 -0.000000      0.000000 
1 1 1 -5  0  25 o 146.913 45.098 5.7521  2.4533 0.0000  0.0000  5.7521  2.4533 146.913 45.098 146.913 45.098 0.000000       0.000000 
1 1 1 -5  0  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  0  27 o 685.332 33.536 101.548 9.6800 101.548 9.6800  0.0000  0.0000 685.332 33.536 685.332 33.536 -0.000000      0.000000 
1 1 1 -5  0  28 o 481.271 33.689 50.550  6.7890 0.0000  0.0000  50.550  6.7890 481.271 33.689 481.271 33.689 0.000000       0.000000 
1 1 1 -5  0  29 o 212.374 43.215 10.910  3.4392 10.910  3.4392  0.0000  0.0000 212.374 43.215 212.374 43.215 -0.000000      0.000000 
1 1 1 -5  0  30 o 584.306 33.792 74.787  8.2979 0.0000  0.0000  74.787  8.2979 584.306 33.792 584.306 33.792 0.000000       0.000000 
1 1 1 -5  0  31 o 193.698 48.211 9.6239  3.4221 9.6239  3.4221  0.0000  0.0000 193.698 48.211 193.698 48.211 -0.000000      0.000000 
1 1 1 -5  0  32 o 219.195 44.374 11.811  3.6477 11.811  3.6477  0.0000  0.0000 219.195 44.374 219.195 44.374 -0.000000      0.000000 
1 1 1 -5  0  33 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  1  1  o 412.967 15.012 36.202  2.6254 35.660  3.6973  36.753  3.7286 408.785 21.432 415.036 21.285 -6.250793      30.20593 
1 1 1 -5  1  2  o 599.574 21.716 76.516  5.5140 76.139  7.7745  76.898  7.8216 595.735 30.922 598.698 30.955 -2.962341      43.75380 
1 1 1 -5  1  3  o 657.666 21.571 92.058  6.0079 93.646  8.4066  90.399  8.5893 661.732 29.998 649.894 31.208 11.83783       43.28804 
1 1 1 -5  1  4  o 620.224 17.398 81.732  4.5697 82.035  5.5727  81.109  7.9842 620.862 21.195 615.663 30.623 5.199219       37.24197 
1 1 1 -5  1  5  o 447.740 14.555 42.554  2.7598 43.408  3.8642  41.664  3.9430 451.700 20.201 442.439 21.044 9.260590       29.17060 
1 1 1 -5  1  6  o 189.449 14.121 7.6603  1.1248 7.7158  1.5608  7.6002  1.6225 189.427 19.746 187.836 20.743 1.590485       28.63867 
1 1 1 -5  1  7  o 471.932 13.782 47.277  2.7545 48.178  3.8015  46.281  3.9968 475.894 18.862 466.266 20.241 9.628265       27.66764 
1 1 1 -5  1  8  o 487.012 12.991 50.343  2.6792 49.447  3.7465  51.280  3.8330 482.083 18.351 490.929 18.436 -8.846130      26.01270 
1 1 1 -5  1  9  o 632.631 16.024 85.090  4.2931 83.162  5.4364  88.283  6.9978 624.610 20.552 642.348 25.725 -17.73779      32.92653 
1 1 1 -5  1  10 o 452.310 14.980 43.493  2.8694 43.869  3.7558  42.966  4.4469 453.626 19.551 447.655 23.539 5.970917       30.59970 
1 1 1 -5  1  11 f 754.291 21.908 121.541 6.9981 0.0000  0.0000  121.541 6.9981 ?       ?      754.291 21.908 0.000000       21.90757 
1 1 1 -5  1  12 o 368.734 13.090 28.878  2.0440 28.535  2.8636  29.234  2.9185 365.511 18.561 369.952 18.689 -4.440582      26.33990 
1 1 1 -5  1  13 o 461.759 16.987 45.357  3.3218 43.193  5.7974  46.414  4.0532 447.260 30.795 466.622 20.511 -19.36200      37.00057 
1 1 1 -5  1  14 o 314.749 18.485 21.144  2.4531 16.670  3.9649  23.918  3.1225 276.338 34.641 334.283 22.183 -57.94498      41.13538 
1 1 1 -5  1  15 o 462.839 30.202 45.983  5.8873 45.983  5.8873  0.0000  0.0000 462.839 30.202 ?       ?      0.000000       30.20160 
1 1 1 -5  1  16 o 738.263 22.034 115.885 6.8888 120.509 9.8334  111.429 9.6536 751.352 30.904 722.367 31.556 28.98462       44.16872 
1 1 1 -5  1  17 o 404.397 21.203 34.839  3.6185 36.675  5.1667  33.072  5.0693 413.772 29.683 392.644 30.732 21.12762       42.72565 
1 1 1 -5  1  18 o 375.664 30.620 30.284  4.8289 30.284  4.8289  0.0000  0.0000 375.664 30.620 ?       ?      0.000000       30.61984 
1 1 1 -5  1  19 o 483.681 30.683 50.102  6.2524 0.0000  0.0000  50.102  6.2524 ?       ?      483.681 30.683 0.000000       30.68328 
1 1 1 -5  1  20 o 884.971 23.228 166.623 8.7052 163.001 12.349  170.201 12.274 873.092 33.398 892.404 32.476 -19.31189      46.58479 
1 1 1 -5  1  21 o 702.866 31.827 105.668 9.4735 0.0000  0.0000  105.668 9.4735 ?       ?      702.866 31.827 0.000000       31.82684 
1 1 1 -5  1  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  1  23 o 246.013 23.291 13.010  2.3977 14.773  3.4115  11.288  3.3705 260.801 31.528 226.436 36.381 34.36531       48.14131 
1 1 1 -5  1  24 o 560.823 22.395 67.038  5.3188 73.570  7.5558  60.622  7.4885 585.081 30.601 530.149 33.527 54.93213       45.39251 
1 1 1 -5  1  25 o 515.961 22.400 56.842  4.8945 57.380  6.9331  56.307  6.9106 515.261 31.930 510.335 32.139 4.925873       45.30442 
1 1 1 -5  1  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  1  27 o 456.866 23.269 44.907  4.4871 44.861  6.3383  44.953  6.3533 452.931 33.277 453.374 33.323 -0.4427795     47.09396 
1 1 1 -5  1  28 o 254.193 25.244 14.063  2.6816 14.563  3.7427  13.536  3.8439 255.439 35.563 245.142 38.277 10.29736       52.24844 
1 1 1 -5  1  29 o 327.757 23.989 23.344  3.3065 24.385  4.6343  22.265  4.7191 331.096 33.512 315.087 36.013 16.00885       49.19385 
1 1 1 -5  1  30 o 602.418 23.581 78.708  6.0160 79.096  8.4360  78.307  8.5818 595.906 33.565 592.216 34.366 3.690308       48.03762 
1 1 1 -5  1  31 o 492.371 23.642 52.780  4.9298 52.615  6.8668  52.955  7.0817 483.828 33.724 484.544 34.742 -0.7167053     48.41831 
1 1 1 -5  1  32 o 170.368 29.813 6.6321  2.0726 6.6614  2.6929  6.5895  3.2464 167.025 38.810 163.669 45.299 3.356308       59.65065 
1 1 1 -5  1  33 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  2  1  o 955.634 16.433 193.958 6.6504 186.008 9.3590  202.066 9.4518 934.336 23.653 974.020 22.914 -39.68463      32.93196 
1 1 1 -5  2  2  o 863.312 18.440 158.412 6.7417 155.435 8.2179  164.539 11.789 854.330 22.714 876.610 31.757 -22.28009      39.04406 
1 1 1 -5  2  3  o 760.091 31.544 123.693 10.154 0.0000  0.0000  123.693 10.154 ?       ?      760.091 31.544 0.000000       31.54424 
1 1 1 -5  2  4  o 863.844 18.236 158.607 6.6715 158.627 8.1035  158.566 11.753 863.120 22.170 860.290 32.259 2.830688       39.14296 
1 1 1 -5  2  5  o 785.095 15.223 130.870 5.0612 134.368 7.0338  127.114 7.2882 794.565 20.903 772.549 22.277 22.01569       30.54829 
1 1 1 -5  2  6  o 1003.88 15.805 214.050 6.7191 210.319 9.2914  218.139 9.7281 993.641 22.080 1011.77 22.704 -18.13226      31.67047 
1 1 1 -5  2  7  o 1204.72 19.063 308.790 9.7258 313.441 11.673  298.230 17.588 1212.54 22.732 1177.15 35.281 35.38989       41.97052 
1 1 1 -5  2  8  f 463.373 14.100 45.595  2.7669 44.164  4.1925  46.700  3.6830 455.147 21.751 468.462 18.564 -13.31509      28.59586 
1 1 1 -5  2  9  o 192.282 14.544 7.8996  1.1755 8.2416  1.4867  7.3292  1.9202 195.950 18.120 183.415 25.403 12.53511       31.20346 
1 1 1 -5  2  10 o 463.114 14.486 45.584  2.8411 47.521  3.7970  43.121  4.2825 472.215 18.987 448.674 22.611 23.54099       29.52564 
1 1 1 -5  2  11 o 579.343 20.245 71.609  4.9670 0.0000  0.0000  71.609  4.9670 ?       ?      579.343 20.245 0.000000       20.24484 
1 1 1 -5  2  12 o 202.934 18.802 8.8487  1.5975 0.0000  0.0000  8.8487  1.5975 ?       ?      202.934 18.802 0.000000       18.80246 
1 1 1 -5  2  13 o 420.192 20.023 37.624  3.5630 0.0000  0.0000  37.624  3.5630 ?       ?      420.192 20.023 0.000000       20.02273 
1 1 1 -5  2  14 o 748.776 31.346 120.249 9.9398 120.249 9.9398  0.0000  0.0000 748.776 31.346 ?       ?      0.000000       31.34592 
1 1 1 -5  2  15 o 446.781 30.132 42.855  5.6679 42.855  5.6679  0.0000  0.0000 446.781 30.132 ?       ?      0.000000       30.13175 
1 1 1 -5  2  16 o 881.471 32.529 166.000 12.143 166.000 12.143  0.0000  0.0000 881.471 32.529 ?       ?      0.000000       32.52906 
1 1 1 -5  2  17 o 714.086 31.455 108.771 9.5122 108.771 9.5122  0.0000  0.0000 714.086 31.455 ?       ?      0.000000       31.45470 
1 1 1 -5  2  18 o 1093.82 34.468 255.563 15.967 255.563 15.967  0.0000  0.0000 1093.82 34.468 ?       ?      0.000000       34.46824 
1 1 1 -5  2  19 o 565.502 30.540 68.410  7.2868 0.0000  0.0000  68.410  7.2868 ?       ?      565.502 30.540 0.000000       30.54032 
1 1 1 -5  2  20 o 831.654 22.856 147.133 8.0499 154.609 11.469  139.872 11.302 850.679 31.835 808.855 32.994 41.82416       45.84816 
1 1 1 -5  2  21 o 983.455 23.793 205.962 9.9094 206.884 14.063  205.053 13.965 982.830 33.788 978.500 33.701 4.329651       47.72211 
1 1 1 -5  2  22 o 879.350 33.076 165.714 12.317 0.0000  0.0000  165.714 12.317 ?       ?      879.350 33.076 0.000000       33.07554 
1 1 1 -5  2  23 o 619.212 22.356 81.663  5.8623 88.630  8.3377  74.851  8.2443 643.455 30.597 589.880 33.137 53.57465       45.10240 
1 1 1 -5  2  24 o 856.008 23.504 156.291 8.5205 148.822 12.013  163.851 12.087 831.978 34.096 873.516 32.673 -41.53870      47.22364 
1 1 1 -5  2  25 o 260.989 33.529 14.921  3.6202 14.921  3.6202  0.0000  0.0000 260.989 33.529 ?       ?      0.000000       33.52924 
1 1 1 -5  2  26 o 642.062 32.549 89.454  8.8215 0.0000  0.0000  89.454  8.8215 ?       ?      642.062 32.549 0.000000       32.54936 
1 1 1 -5  2  27 o 440.425 22.894 41.722  4.2554 47.746  5.9646  35.477  6.0730 468.599 30.217 401.330 36.119 67.26819       47.09210 
1 1 1 -5  2  28 o 479.939 22.976 49.523  4.6699 48.176  6.5111  50.951  6.7015 468.554 33.025 481.912 33.036 -13.35785      46.71210 
1 1 1 -5  2  29 o 211.335 26.495 9.8412  2.3192 6.6142  3.0888  14.012  3.5114 167.915 43.190 249.933 34.062 -82.01814      55.00572 
1 1 1 -5  2  30 o 260.684 24.658 14.892  2.6898 13.569  3.6877  16.396  3.9321 243.766 36.874 269.091 35.361 -25.32497      51.08904 
1 1 1 -5  2  31 o 521.249 23.457 59.136  5.1779 60.617  7.2099  57.559  7.4410 520.090 32.904 504.927 35.015 15.16354       48.04898 
1 1 1 -5  2  32 o 427.367 23.763 40.102  4.2838 41.669  5.9623  38.429  6.1589 428.632 33.103 409.182 35.905 19.44931       48.83599 
1 1 1 -5  3  1  o 512.607 14.934 55.780  3.2419 53.387  4.5451  58.258  4.6255 500.823 21.430 523.240 20.874 -22.41766      29.91609 
1 1 1 -5  3  2  o 1218.15 20.031 315.623 10.333 316.179 12.623  314.493 17.993 1217.87 24.474 1210.34 35.103 7.525635       42.79272 
1 1 1 -5  3  3  o 1204.94 35.105 311.714 17.913 0.0000  0.0000  311.714 17.913 ?       ?      1204.94 35.105 0.000000       35.10479 
1 1 1 -5  3  4  o 472.016 16.586 47.326  3.3154 48.430  4.0029  44.915  5.9166 477.168 19.809 457.077 30.745 20.09052       36.57364 
1 1 1 -5  3  5  o 574.755 16.318 70.171  3.9718 70.063  6.4401  70.236  5.0456 572.825 26.548 574.466 20.740 -1.640442      33.68882 
1 1 1 -5  3  6  o 854.220 16.973 155.066 6.1400 156.588 9.8972  154.115 7.8287 855.961 27.303 850.617 21.732 5.344177       34.89656 
1 1 1 -5  3  7  o 597.412 15.354 75.811  3.8847 73.884  6.1293  77.104  5.0221 588.322 24.601 601.873 19.703 -13.55182      31.51868 
1 1 1 -5  3  8  o 396.944 15.446 33.480  2.5965 31.994  3.3808  35.617  4.0544 386.957 20.705 407.812 23.577 -20.85519      31.37794 
1 1 1 -5  3  9  o 885.189 17.189 166.712 6.4438 162.511 8.4801  172.452 9.9124 872.333 22.955 897.510 26.079 -25.17657      34.74278 
1 1 1 -5  3  10 o 102.153 15.436 2.2684  0.6469 2.1742  0.8570  2.3931  0.9864 99.086  21.072 103.815 23.037 -4.728363      31.22133 
1 1 1 -5  3  11 o 193.109 14.244 7.9687  1.1566 8.1330  1.7657  7.8452  1.5308 193.922 21.883 190.888 19.197 3.033966       29.10957 
1 1 1 -5  3  12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  3  13 o 649.640 16.757 89.756  4.6101 91.402  7.6028  88.798  5.7975 653.162 27.486 645.316 21.214 7.846008       34.72038 
1 1 1 -5  3  14 o 916.569 19.280 178.739 7.4837 194.181 12.052  169.048 9.5474 952.162 29.888 889.834 25.336 62.32825       39.18144 
1 1 1 -5  3  15 o 676.828 19.317 97.371  5.5367 84.391  8.7180  106.145 7.1678 626.989 32.949 705.938 23.976 -78.94910      40.74899 
1 1 1 -5  3  16 o 679.013 30.576 98.394  8.7924 98.394  8.7924  0.0000  0.0000 679.013 30.576 ?       ?      0.000000       30.57621 
1 1 1 -5  3  17 o 698.854 30.946 104.154 9.1586 104.154 9.1586  0.0000  0.0000 698.854 30.946 ?       ?      0.000000       30.94578 
1 1 1 -5  3  18 o 776.482 31.714 128.618 10.429 128.618 10.429  0.0000  0.0000 776.482 31.714 ?       ?      0.000000       31.71448 
1 1 1 -5  3  19 o 639.985 30.894 87.389  8.3732 0.0000  0.0000  87.389  8.3732 ?       ?      639.985 30.894 0.000000       30.89427 
1 1 1 -5  3  20 o 1327.33 25.757 375.271 14.478 401.387 20.602  349.785 20.351 1369.09 35.533 1277.20 37.626 91.89661       51.75211 
1 1 1 -5  3  21 o 349.251 21.612 26.048  3.1808 25.296  4.4985  26.799  4.4983 342.547 31.358 352.843 30.400 -10.29620      43.67507 
1 1 1 -5  3  22 o 602.975 31.409 78.034  7.9926 0.0000  0.0000  78.034  7.9926 ?       ?      602.975 31.409 0.000000       31.40868 
1 1 1 -5  3  23 o 743.092 22.729 117.633 7.1527 122.857 10.150  112.480 10.081 757.269 31.650 724.251 32.868 33.01837       45.62983 
1 1 1 -5  3  24 o 442.295 22.421 41.806  4.1860 41.919  5.8529  41.687  5.9891 440.931 31.553 439.486 32.408 1.445160       45.23101 
1 1 1 -5  3  25 o 411.451 31.549 36.655  5.4554 36.655  5.4554  0.0000  0.0000 411.451 31.549 ?       ?      0.000000       31.54904 
1 1 1 -5  3  26 o 510.889 32.741 56.743  7.0465 0.0000  0.0000  56.743  7.0465 ?       ?      510.889 32.741 0.000000       32.74136 
1 1 1 -5  3  27 o 405.500 22.740 35.379  3.8894 38.177  5.4363  32.446  5.5668 418.532 30.889 384.259 34.579 34.27332       46.36669 
1 1 1 -5  3  28 o 470.113 22.661 47.503  4.5116 47.720  6.3340  47.279  6.4278 466.645 32.250 464.147 32.914 2.497925       46.08033 
1 1 1 -5  3  29 o 215.647 25.462 10.214  2.2804 11.074  3.1204  9.2286  3.3409 221.590 34.365 199.459 40.924 22.13129       53.43876 
1 1 1 -5  3  30 o 162.199 28.476 5.9196  1.8847 7.7396  2.5071  3.5546  2.8579 184.275 33.354 127.633 43.808 56.64180       55.06026 
1 1 1 -5  3  31 o 430.847 23.533 40.528  4.2775 36.850  5.9007  44.601  6.2098 403.596 34.866 445.586 33.145 -41.98978      48.10611 
1 1 1 -5  3  32 o 394.371 23.677 34.159  3.9361 35.296  5.4691  32.938  5.6693 394.320 33.056 378.705 35.774 15.61554       48.70761 
1 1 1 -5  4  1  o 287.277 16.892 17.593  2.0460 18.841  3.4724  16.929  2.5322 295.657 28.070 281.203 21.425 14.45444       35.31210 
1 1 1 -5  4  2  o 469.031 20.284 46.802  4.0290 48.295  5.6117  45.213  5.7880 474.636 28.043 458.784 29.955 15.85196       41.03303 
1 1 1 -5  4  3  o 412.565 29.536 36.584  5.1264 0.0000  0.0000  36.584  5.1264 ?       ?      412.565 29.536 0.000000       29.53636 
1 1 1 -5  4  4  o 284.268 15.918 17.215  1.9086 18.604  3.1166  16.382  2.4142 294.251 25.255 276.680 20.755 17.57123       32.68970 
1 1 1 -5  4  5  o 592.180 19.530 74.599  4.8978 76.355  6.4875  72.271  7.4686 598.115 25.612 580.170 30.505 17.94501       39.83150 
1 1 1 -5  4  6  o 877.272 16.722 163.543 6.2126 161.823 10.086  164.595 7.8864 870.045 27.373 879.142 21.182 -9.096863      34.61164 
1 1 1 -5  4  7  o 299.905 14.251 19.098  1.8100 20.156  2.8325  18.368  2.3532 306.746 21.950 293.187 19.056 13.55859       29.06732 
1 1 1 -5  4  8  o 351.696 13.454 26.262  2.0039 28.243  2.9515  24.567  2.7294 363.710 19.231 339.171 19.080 24.53909       27.08963 
1 1 1 -5  4  9  o 676.062 15.703 97.178  4.4957 98.104  5.9116  95.908  6.9235 678.279 20.581 669.690 24.412 8.588623       31.92977 
1 1 1 -5  4  10 o 250.873 13.435 13.408  1.4222 14.299  1.9327  12.355  2.1003 258.532 17.760 239.724 20.897 18.80844       27.42464 
1 1 1 -5  4  11 o 188.180 14.067 7.5677  1.1130 8.4101  1.6539  6.8705  1.5046 197.557 20.046 178.320 20.285 19.23741       28.51869 
1 1 1 -5  4  12 o 335.626 18.963 24.078  2.6842 0.0000  0.0000  24.078  2.6842 ?       ?      335.626 18.963 0.000000       18.96281 
1 1 1 -5  4  13 o 301.117 14.852 19.264  1.8940 18.183  3.0180  19.967  2.4326 290.650 24.755 305.666 18.885 -15.01672      31.13593 
1 1 1 -5  4  14 o 397.275 16.349 33.532  2.7506 34.777  4.3764  32.718  3.5363 402.778 25.792 391.384 21.417 11.39493       33.52509 
1 1 1 -5  4  15 f 991.756 31.591 210.360 13.268 210.360 13.268  0.0000  0.0000 991.756 31.591 ?       ?      0.000000       31.59081 
1 1 1 -5  4  16 o 415.823 18.455 36.716  3.2498 39.482  5.0175  34.717  4.2654 429.561 27.730 403.096 25.112 26.46570       37.41022 
1 1 1 -5  4  17 o 365.968 29.274 28.719  4.4990 28.719  4.4990  0.0000  0.0000 365.968 29.274 ?       ?      0.000000       29.27361 
1 1 1 -5  4  18 o 614.583 30.134 80.520  7.8430 80.520  7.8430  0.0000  0.0000 614.583 30.134 ?       ?      0.000000       30.13397 
1 1 1 -5  4  19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  4  20 o 707.303 31.179 106.864 9.3393 106.864 9.3393  0.0000  0.0000 707.303 31.179 ?       ?      0.000000       31.17923 
1 1 1 -5  4  21 o 687.645 22.056 100.623 6.4229 109.613 9.1003  91.699  9.0665 716.200 30.004 654.506 32.710 61.69336       44.38680 
1 1 1 -5  4  22 o 203.458 34.267 9.1139  2.8476 0.0000  0.0000  9.1139  2.8476 ?       ?      203.458 34.267 0.000000       34.26714 
1 1 1 -5  4  23 o 603.800 21.984 77.639  5.6215 85.893  7.9734  69.481  7.9266 633.596 29.716 568.234 33.083 65.36206       44.46912 
1 1 1 -5  4  24 o 471.614 22.138 47.409  4.4214 44.322  6.1795  50.647  6.3288 453.189 32.412 484.979 30.976 -31.78964      44.83359 
1 1 1 -5  4  25 o 429.721 31.366 39.965  5.6687 39.965  5.6687  0.0000  0.0000 429.721 31.366 ?       ?      0.000000       31.36619 
1 1 1 -5  4  26 o 230.581 38.504 11.898  3.6273 0.0000  0.0000  11.898  3.6273 ?       ?      230.581 38.504 0.000000       38.50446 
1 1 1 -5  4  27 o 290.751 23.444 18.264  2.8622 16.790  3.8835  20.017  4.2346 275.657 33.987 301.391 33.757 -25.73456      47.90227 
1 1 1 -5  4  28 o 654.772 23.015 92.209  6.3819 104.554 8.9568  79.479  9.0954 693.171 30.512 600.297 35.943 92.87457       47.14757 
1 1 1 -5  4  29 o 263.766 24.285 15.179  2.6822 12.782  3.6501  17.993  3.9545 236.960 37.631 283.794 33.553 -46.83344      50.41777 
1 1 1 -5  4  30 o 370.047 23.285 29.798  3.6305 31.967  5.0412  27.461  5.2327 379.075 31.693 348.780 35.942 30.29492       47.91934 
1 1 1 -5  4  31 o 247.085 24.757 13.456  2.5556 14.271  3.4621  12.480  3.7883 250.646 33.451 230.746 40.230 19.89990       52.32077 
1 1 1 -5  4  32 o 98.971  34.771 2.0484  1.8054 2.0484  1.8054  0.0000  0.0000 98.971  34.771 ?       ?      0.000000       34.77064 
1 1 1 -5  5  1  o 418.575 16.616 37.221  2.9455 38.980  4.9979  36.284  3.6459 426.217 27.843 412.356 20.947 13.86108       34.84208 
1 1 1 -5  5  2  o 1093.77 22.999 254.892 10.653 256.657 14.831  253.012 15.312 1094.38 32.001 1086.05 33.291 8.329834       46.17715 
1 1 1 -5  5  3  o 1146.32 33.305 281.895 16.168 0.0000  0.0000  281.895 16.168 ?       ?      1146.32 33.305 0.000000       33.30542 
1 1 1 -5  5  4  o 521.927 20.134 57.963  4.4503 0.0000  0.0000  57.963  4.4503 ?       ?      521.927 20.134 0.000000       20.13434 
1 1 1 -5  5  5  o 726.098 26.472 112.613 8.1399 112.613 8.1399  0.0000  0.0000 726.098 26.472 ?       ?      0.000000       26.47154 
1 1 1 -5  5  6  o 1020.66 28.242 222.899 12.208 222.899 12.208  0.0000  0.0000 1020.66 28.242 ?       ?      0.000000       28.24242 
1 1 1 -5  5  7  o 457.298 16.227 44.445  3.1425 42.998  4.2157  46.255  4.7145 449.070 22.167 464.886 24.029 -15.81601      32.69201 
1 1 1 -5  5  8  o 473.244 15.247 47.592  3.0558 49.663  3.9946  44.671  4.7446 482.877 19.534 456.538 24.631 26.33902       31.43698 
1 1 1 -5  5  9  o 311.301 10.974 20.562  1.4468 20.068  2.4182  20.838  1.8056 306.367 18.728 313.207 13.613 -6.839966      23.15259 
1 1 1 -5  5  10 o 230.671 11.471 11.294  1.1206 11.599  1.7968  11.099  1.4335 232.623 18.389 228.004 14.929 4.618286       23.68577 
1 1 1 -5  5  11 o 489.827 19.553 51.169  4.0560 0.0000  0.0000  51.169  4.0560 ?       ?      489.827 19.553 0.000000       19.55296 
1 1 1 -5  5  12 o 229.556 13.044 11.227  1.2628 11.666  1.7381  10.737  1.8378 233.421 17.715 223.592 19.607 9.828659       26.42470 
1 1 1 -5  5  13 o 297.165 17.727 18.853  2.2208 19.677  2.8111  17.483  3.6221 302.954 22.062 283.779 30.625 19.17453       37.74454 
1 1 1 -5  5  14 o 901.527 20.832 173.010 7.9533 165.870 10.562  182.358 12.086 880.759 28.318 922.632 30.933 -41.87317      41.93727 
1 1 1 -5  5  15 o 583.539 14.920 72.261  3.6870 71.067  6.6489  72.791  4.4306 577.239 27.199 585.397 17.872 -8.157959      32.54498 
1 1 1 -5  5  16 o 1026.37 17.589 223.624 7.6452 215.734 13.641  227.237 9.2313 1005.16 32.046 1034.06 21.080 -28.89648      38.35782 
1 1 1 -5  5  17 o 624.513 20.898 82.852  5.5269 86.472  7.7581  79.121  7.8758 637.093 28.755 608.400 30.666 28.69318       42.03868 
1 1 1 -5  5  18 o 1005.36 32.507 215.721 13.840 215.721 13.840  0.0000  0.0000 1005.36 32.507 ?       ?      0.000000       32.50681 
1 1 1 -5  5  19 o 902.497 31.872 173.893 12.181 0.0000  0.0000  173.893 12.181 ?       ?      902.497 31.872 0.000000       31.87181 
1 1 1 -5  5  20 o 367.456 20.962 28.798  3.2485 27.869  4.5788  29.741  4.6096 360.025 30.314 372.150 29.490 -12.12537      42.29132 
1 1 1 -5  5  21 o 212.091 31.414 9.8238  2.7362 9.8238  2.7362  0.0000  0.0000 212.091 31.414 ?       ?      0.000000       31.41406 
1 1 1 -5  5  22 f 494.827 21.457 52.116  4.4964 61.479  6.3376  42.626  6.3803 535.753 28.030 444.498 34.155 91.25494       44.18460 
1 1 1 -5  5  23 o 352.768 22.056 26.605  3.2785 27.343  4.5281  25.793  4.7532 356.151 30.310 345.285 32.904 10.86652       44.73685 
1 1 1 -5  5  24 o 542.778 31.038 63.408  7.1049 63.408  7.1049  0.0000  0.0000 542.778 31.038 ?       ?      0.000000       31.03812 
1 1 1 -5  5  25 o 370.933 22.233 29.490  3.4765 31.419  4.8301  27.417  5.0076 381.023 30.181 354.794 33.734 26.22928       45.26442 
1 1 1 -5  5  26 o 328.349 23.006 23.203  3.1789 25.923  4.4225  20.295  4.5724 345.104 30.577 303.259 36.326 41.84518       47.48188 
1 1 1 -5  5  27 o 212.883 24.824 9.8742  2.1960 12.779  2.9905  6.4754  3.2350 241.171 29.924 167.618 44.738 73.55258       53.82306 
1 1 1 -5  5  28 o 342.477 22.832 25.333  3.2925 29.572  4.5450  20.650  4.7764 367.851 29.421 303.714 37.965 64.13751       48.03061 
1 1 1 -5  5  29 o 425.888 22.829 39.285  4.1024 39.405  5.6534  39.151  5.9624 422.130 31.859 419.630 33.839 2.500122       46.47651 
1 1 1 -5  5  30 o 301.599 23.753 19.858  3.0093 20.963  4.0843  18.546  4.4508 306.310 31.956 285.001 37.810 21.30957       49.50539 
1 1 1 -5  5  31 o 162.275 27.760 5.9433  1.8392 7.0229  2.4359  4.5116  2.8049 174.261 34.229 138.508 43.166 35.75267       55.08983 
1 1 1 -5  5  32 f 327.241 33.499 24.431  4.5770 24.431  4.5770  0.0000  0.0000 327.241 33.499 ?       ?      0.000000       33.49934 
1 1 1 -5  6  1  o 684.737 20.747 99.804  6.0161 102.508 8.3641  96.905  8.6597 692.334 28.527 672.699 30.398 19.63507       41.68728 
1 1 1 -5  6  2  o 479.971 19.509 49.006  3.9655 51.573  5.4702  46.162  5.7570 490.750 26.418 463.565 29.478 27.18530       39.58377 
1 1 1 -5  6  3  o 413.327 27.501 36.665  4.7863 0.0000  0.0000  36.665  4.7863 ?       ?      413.327 27.501 0.000000       27.50109 
1 1 1 -5  6  4  o 435.105 26.569 40.586  4.8722 0.0000  0.0000  40.586  4.8722 ?       ?      435.105 26.569 0.000000       26.56864 
1 1 1 -5  6  5  o 396.836 25.625 33.764  4.2834 0.0000  0.0000  33.764  4.2834 ?       ?      396.836 25.625 0.000000       25.62480 
1 1 1 -5  6  6  o 549.770 17.283 64.260  4.0239 64.715  5.5391  63.751  5.8554 550.726 23.750 546.323 25.308 4.402344       34.70667 
1 1 1 -5  6  7  o 602.820 22.240 77.503  5.6776 77.503  5.6776  0.0000  0.0000 602.820 22.240 ?       ?      0.000000       22.24000 
1 1 1 -5  6  8  o 967.021 17.522 198.980 7.1758 188.761 9.8421  210.576 10.485 939.592 24.735 992.318 24.949 -52.72614      35.13194 
1 1 1 -5  6  9  f 296.288 12.874 18.644  1.6154 20.034  2.3062  17.305  2.2635 306.204 17.862 284.349 18.904 21.85464       26.00829 
1 1 1 -5  6  10 o 863.594 16.412 158.705 6.0023 153.435 8.2310  164.689 8.7717 847.136 22.943 877.407 23.607 -30.27081      32.91936 
1 1 1 -5  6  11 o 358.912 12.229 27.352  1.8587 28.024  2.1430  25.312  3.7348 363.142 13.935 342.678 25.928 20.46429       29.43518 
1 1 1 -5  6  12 o 407.194 12.752 35.207  2.1989 35.840  2.4686  32.776  4.8382 410.700 14.193 389.455 29.555 21.24518       32.78667 
1 1 1 -5  6  13 o 567.468 17.577 68.493  4.2241 69.338  5.2276  66.905  7.1698 570.294 21.645 557.549 30.481 12.74518       37.38474 
1 1 1 -5  6  14 o 527.694 13.927 59.098  3.1123 58.162  5.3852  59.568  3.8137 522.268 24.348 529.490 17.008 -7.221008      29.69999 
1 1 1 -5  6  15 o 377.841 14.211 30.288  2.2740 29.578  3.9121  30.650  2.7945 371.813 24.990 379.913 17.369 -8.100677      30.43372 
1 1 1 -5  6  16 o 874.146 16.373 162.150 6.0611 172.527 10.602  157.113 7.3872 899.855 27.822 859.966 20.284 39.88940       34.43128 
1 1 1 -5  6  17 o 584.409 18.656 72.505  4.6172 71.134  6.8521  73.645  6.2490 577.928 27.997 588.374 25.079 -10.44641      37.58702 
1 1 1 -5  6  18 o 585.500 28.674 73.041  7.1098 73.041  7.1098  0.0000  0.0000 585.500 28.674 ?       ?      0.000000       28.67397 
1 1 1 -5  6  19 o 395.272 29.667 33.507  4.9298 0.0000  0.0000  33.507  4.9298 ?       ?      395.272 29.667 0.000000       29.66689 
1 1 1 -5  6  20 o 485.401 20.865 50.093  4.2891 49.481  6.0345  50.719  6.0975 480.512 29.801 486.522 29.737 -6.009369      42.09985 
1 1 1 -5  6  21 o 1309.80 35.851 368.158 19.886 368.158 19.886  0.0000  0.0000 1309.80 35.851 ?       ?      0.000000       35.85145 
1 1 1 -5  6  22 o 289.843 31.084 18.183  3.7559 18.183  3.7559  0.0000  0.0000 289.843 31.084 ?       ?      0.000000       31.08433 
1 1 1 -5  6  23 o 487.193 21.266 50.534  4.3876 51.786  6.1969  49.275  6.2133 490.999 29.945 478.704 30.812 12.29474       42.96639 
1 1 1 -5  6  24 o 162.874 24.112 5.7828  1.6129 3.9842  2.2610  7.6462  2.3015 134.058 38.055 186.555 30.161 -52.49669      48.55735 
1 1 1 -5  6  25 o 422.230 21.993 38.179  3.9190 40.768  5.4551  35.418  5.6337 434.339 29.838 403.691 33.249 30.64783       44.67461 
1 1 1 -5  6  26 o 421.145 32.487 38.653  5.7493 0.0000  0.0000  38.653  5.7493 ?       ?      421.145 32.487 0.000000       32.48696 
1 1 1 -5  6  27 o 205.021 25.842 9.1910  2.1938 8.7566  2.9571  9.7228  3.2719 197.001 36.797 207.247 38.703 -10.24591      53.40360 
1 1 1 -5  6  28 o 190.072 26.345 7.9511  2.0636 7.2221  2.8704  8.7310  2.9688 177.337 39.258 196.066 37.114 -18.72957      54.02448 
1 1 1 -5  6  29 f 454.509 22.722 44.631  4.3736 49.217  6.1407  39.911  6.2307 472.439 30.862 422.756 35.120 49.68295       46.75312 
1 1 1 -5  6  30 o 203.226 26.985 9.1724  2.2650 6.3425  3.0289  12.763  3.4117 163.376 43.140 236.913 35.063 -73.53629      55.59225 
1 1 1 -5  6  31 o 496.942 23.147 53.788  4.8713 59.869  6.7540  47.194  7.0327 517.872 30.938 454.737 36.835 63.13593       48.10378 
1 1 1 -5  6  32 o 302.201 34.369 20.952  4.3202 20.952  4.3202  0.0000  0.0000 302.201 34.369 ?       ?      0.000000       34.36853 
1 1 1 -5  7  1  o 225.737 19.808 10.926  1.8744 12.899  2.5975  8.7819  2.7076 244.519 25.458 199.704 33.180 44.81503       41.82100 
1 1 1 -5  7  2  o 696.943 19.917 103.366 5.8785 101.936 8.1388  104.926 8.4998 690.469 27.834 700.316 28.660 -9.847351      39.95112 
1 1 1 -5  7  3  o 677.258 27.878 98.081  7.9958 0.0000  0.0000  98.081  7.9958 ?       ?      677.258 27.878 0.000000       27.87820 
1 1 1 -5  7  4  o 360.746 17.630 27.667  2.6934 27.145  3.7278  28.238  3.8957 355.766 24.900 362.779 25.520 -7.013367      35.65465 
1 1 1 -5  7  5  o 979.711 28.895 205.522 11.989 0.0000  0.0000  205.522 11.989 ?       ?      979.711 28.895 0.000000       28.89542 
1 1 1 -5  7  6  o 1287.90 31.763 356.251 17.324 0.0000  0.0000  356.251 17.324 ?       ?      1287.90 31.763 0.000000       31.76263 
1 1 1 -5  7  7  o 398.704 23.659 34.063  3.9768 0.0000  0.0000  34.063  3.9768 ?       ?      398.704 23.659 0.000000       23.65852 
1 1 1 -5  7  8  o 699.001 13.035 103.753 3.8585 106.964 6.3595  101.882 4.8540 708.088 21.208 692.068 16.562 16.02002       26.90824 
1 1 1 -5  7  9  o 728.029 15.007 112.688 4.6268 108.649 6.5370  116.743 6.5497 713.299 21.640 739.598 20.911 -26.29944      30.09292 
1 1 1 -5  7  10 o 421.133 13.713 37.686  2.4456 39.692  3.3926  35.516  3.5285 431.567 18.563 407.441 20.515 24.12604       27.66692 
1 1 1 -5  7  11 o 229.165 12.021 11.180  1.1626 11.995  1.3534  8.8848  2.2708 237.233 13.527 201.723 27.281 35.51010       30.45059 
1 1 1 -5  7  12 o 805.571 13.522 137.831 4.6132 131.284 7.3741  142.041 5.9131 784.179 22.205 817.037 17.090 -32.85785      28.02003 
1 1 1 -5  7  13 o 531.057 12.826 59.856  2.8844 61.924  4.6235  58.538  3.6907 539.224 20.247 524.766 16.607 14.45776       26.18675 
1 1 1 -5  7  14 o 590.263 13.990 73.939  3.4971 75.336  5.9462  73.200  4.3239 594.593 23.615 586.950 17.395 7.642639       29.32989 
1 1 1 -5  7  15 o 1088.25 17.055 251.443 7.8600 259.247 13.516  247.456 9.6618 1102.23 28.955 1078.81 21.148 23.41870       35.85587 
1 1 1 -5  7  16 o 625.321 15.211 82.950  4.0280 80.217  6.9113  84.355  4.9570 613.784 26.589 630.315 18.570 -16.53125      32.43179 
1 1 1 -5  7  17 o 480.009 17.860 48.903  3.6305 49.905  5.3311  48.036  4.9577 483.559 26.130 474.584 24.753 8.974274       35.99321 
1 1 1 -5  7  18 o 893.520 17.182 169.435 6.5018 166.529 11.231  170.900 7.9740 883.784 30.007 896.875 20.994 -13.09125      36.62199 
1 1 1 -5  7  19 o 789.956 31.521 133.242 10.545 0.0000  0.0000  133.242 10.545 ?       ?      789.956 31.521 0.000000       31.52113 
1 1 1 -5  7  20 o 971.059 22.757 200.652 9.3585 201.575 12.992  199.658 13.491 971.078 31.593 966.043 32.978 5.035645       45.66877 
1 1 1 -5  7  21 o 1187.64 34.152 302.372 17.177 302.372 17.177  0.0000  0.0000 1187.64 34.152 ?       ?      0.000000       34.15154 
1 1 1 -5  7  22 o 348.064 21.231 25.880  3.1146 29.477  4.4181  22.327  4.3913 370.338 28.387 321.136 32.748 49.20270       43.33855 
1 1 1 -5  7  23 o 381.198 21.446 31.039  3.4481 27.232  4.8573  34.906  4.8956 354.856 32.689 402.957 28.880 -48.10010      43.61926 
1 1 1 -5  7  24 o 899.544 22.805 172.633 8.6875 173.976 12.320  171.304 12.252 899.639 32.336 892.672 32.410 6.967102       45.78282 
1 1 1 -5  7  25 o 905.825 23.298 175.491 8.9374 190.615 12.545  159.905 12.736 940.171 31.508 859.296 34.997 80.87463       47.09128 
1 1 1 -5  7  26 o 231.536 23.690 11.612  2.2901 0.0000  0.0000  11.612  2.2901 ?       ?      231.536 23.690 0.000000       23.68962 
1 1 1 -5  7  27 o 451.007 17.847 43.437  3.4087 53.023  5.9349  38.718  4.1641 494.323 28.471 423.942 23.283 70.38162       36.77870 
1 1 1 -5  7  28 o 559.950 22.422 67.443  5.3171 78.858  7.4725  55.737  7.5673 602.171 29.302 501.877 35.840 100.2944       46.29376 
1 1 1 -5  7  29 o 225.365 25.113 11.152  2.3560 12.419  3.2335  9.7185  3.4399 234.923 33.445 204.280 41.184 30.64337       53.05423 
1 1 1 -5  7  30 o 194.097 27.060 8.3842  2.1638 7.2639  2.8785  9.8395  3.2810 175.953 39.588 205.706 39.092 -29.75302      55.63662 
1 1 1 -5  7  31 o 335.851 33.083 25.507  4.6443 25.507  4.6443  0.0000  0.0000 335.851 33.083 ?       ?      0.000000       33.08279 
1 1 1 -5  7  32 f 538.788 23.159 63.528  5.2843 70.575  7.3224  55.869  7.6334 560.054 30.994 492.124 36.896 67.93018       48.18597 
1 1 1 -5  8  1  o 339.611 19.026 24.616  2.7254 22.208  3.7615  27.277  3.9544 321.002 27.949 356.309 26.394 -35.30707      38.44174 
1 1 1 -5  8  2  o 712.334 19.562 107.987 5.9013 106.746 8.1910  109.327 8.5096 706.526 27.376 714.824 28.110 -8.297974      39.23803 
1 1 1 -5  8  3  o 760.671 19.453 123.136 6.2666 126.434 8.6947  119.572 9.0398 769.092 26.695 747.421 28.560 21.67029       39.09330 
1 1 1 -5  8  4  o 375.808 24.497 30.273  3.8775 30.273  3.8775  0.0000  0.0000 375.808 24.497 ?       ?      0.000000       24.49750 
1 1 1 -5  8  5  o 953.920 19.705 193.736 7.9603 192.523 11.097  195.023 11.425 948.435 27.628 954.334 28.270 -5.899475      39.52838 
1 1 1 -5  8  6  o 482.450 16.372 49.482  3.3450 47.897  4.5174  51.406  4.9772 473.820 22.513 490.630 23.954 -16.80954      32.87311 
1 1 1 -5  8  7  o 301.155 15.902 19.335  2.0210 0.0000  0.0000  19.335  2.0210 ?       ?      301.155 15.902 0.000000       15.90248 
1 1 1 -5  8  8  o 626.520 15.583 83.471  4.1346 0.0000  0.0000  83.471  4.1346 ?       ?      626.520 15.583 0.000000       15.58329 
1 1 1 -5  8  9  o 190.000 21.076 7.7987  1.6673 0.0000  0.0000  7.7987  1.6673 ?       ?      190.000 21.076 0.000000       21.07633 
1 1 1 -5  8  10 o 839.201 16.170 149.865 5.7467 0.0000  0.0000  149.865 5.7467 ?       ?      839.201 16.170 0.000000       16.17008 
1 1 1 -5  8  11 o 194.561 11.758 8.0644  0.9642 8.3502  1.5583  7.8872  1.2274 197.065 18.905 192.006 15.220 5.059250       24.26986 
1 1 1 -5  8  12 o 720.756 13.146 110.304 4.0125 112.018 6.4799  109.238 5.1101 724.755 21.112 716.631 16.838 8.124023       27.00455 
1 1 1 -5  8  13 o 924.837 14.640 181.637 5.7341 186.201 9.2849  178.824 7.2905 934.261 23.467 916.790 18.778 17.47095       30.05523 
1 1 1 -5  8  14 o 948.717 15.357 191.076 6.1699 188.480 10.281  192.536 7.7134 940.047 25.825 951.661 19.139 -11.61462      32.14356 
1 1 1 -5  8  15 o 627.046 14.435 83.411  3.8332 85.668  6.5286  82.223  4.7354 634.393 24.301 622.248 17.970 12.14502       30.22313 
1 1 1 -5  8  16 o 265.831 15.109 15.038  1.6940 14.516  2.7923  15.342  2.1308 259.917 25.705 268.141 18.885 -8.224365      31.89689 
1 1 1 -5  8  17 o 840.842 18.995 150.107 6.7640 144.372 9.8857  155.156 9.2749 823.275 28.354 853.929 25.647 -30.65454      38.23303 
1 1 1 -5  8  18 o 455.906 19.937 44.148  3.8493 0.0000  0.0000  44.148  3.8493 ?       ?      455.906 19.937 0.000000       19.93696 
1 1 1 -5  8  19 o 578.296 20.398 71.067  4.9956 65.143  6.7129  78.421  7.4787 551.947 28.819 606.351 29.124 -54.40454      40.97275 
1 1 1 -5  8  20 o 706.806 21.106 106.243 6.3175 105.476 8.5977  107.142 9.3139 702.924 28.882 708.007 31.064 -5.083557      42.41608 
1 1 1 -5  8  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  8  22 o 718.351 21.630 109.862 6.5801 108.832 9.1062  110.987 9.5188 713.157 30.151 719.910 31.222 -6.752930      43.40407 
1 1 1 -5  8  23 f 160.078 24.340 5.5878  1.5980 6.0461  2.2670  5.1351  2.2531 164.920 33.599 151.549 35.694 13.37035       49.02028 
1 1 1 -5  8  24 o 764.522 22.165 124.679 7.1763 134.277 10.114  114.946 10.184 790.927 30.195 730.856 32.904 60.07050       44.65910 
1 1 1 -5  8  25 o 345.547 30.852 25.935  4.4673 25.935  4.4673  0.0000  0.0000 345.547 30.852 ?       ?      0.000000       30.85218 
1 1 1 -5  8  26 o 493.653 22.012 52.186  4.6018 0.0000  0.0000  52.186  4.6018 ?       ?      493.653 22.012 0.000000       22.01212 
1 1 1 -5  8  27 o 338.702 17.973 24.571  2.5688 28.833  4.4108  22.384  3.1600 363.849 28.862 321.955 23.335 41.89417       37.11543 
1 1 1 -5  8  28 o 590.244 18.016 74.545  4.5034 77.361  7.7952  73.134  5.5173 594.485 31.071 583.002 22.347 11.48218       38.27219 
1 1 1 -5  8  29 o 303.695 18.382 19.871  2.3530 21.020  4.0469  19.284  2.8922 307.418 31.531 297.676 23.124 9.742218       39.10167 
1 1 1 -5  8  30 o 221.860 19.832 10.692  1.8437 14.912  3.2271  8.6466  2.2464 258.517 30.037 196.891 27.708 61.62691       40.86470 
1 1 1 -5  8  31 o 116.478 37.869 3.0689  2.1398 3.0689  2.1398  0.0000  0.0000 116.478 37.869 ?       ?      0.000000       37.86901 
1 1 1 -5  8  32 o 102.287 31.460 2.3763  1.4955 3.6652  1.9446  0.5106  2.3396 124.809 35.244 87.384  36.882 37.42520       51.01378 
1 1 1 -5  9  1  o 502.097 18.874 53.650  4.0133 49.124  5.5567  58.585  5.8025 478.335 27.547 522.813 26.291 -44.47775      38.08002 
1 1 1 -5  9  2  o 421.075 18.245 37.718  3.2534 39.036  4.5246  36.307  4.6816 426.759 25.146 411.128 27.040 15.63074       36.92527 
1 1 1 -5  9  3  o 474.920 17.922 47.974  3.6045 49.078  5.0203  46.800  5.1786 478.735 24.848 467.149 26.283 11.58572       36.16936 
1 1 1 -5  9  4  o 510.698 24.471 55.700  5.2924 55.700  5.2924  0.0000  0.0000 510.698 24.471 ?       ?      0.000000       24.47050 
1 1 1 -5  9  5  f 617.574 17.525 81.129  4.5835 79.246  6.3200  83.217  6.6572 609.045 24.503 623.959 25.194 -14.91327      35.14441 
1 1 1 -5  9  6  o 632.124 16.793 84.985  4.4954 87.612  6.0806  81.817  6.6760 640.720 22.410 618.454 25.490 22.26569       33.94001 
1 1 1 -5  9  7  o 738.736 13.544 115.916 4.2371 104.693 6.9559  122.536 5.3426 699.895 23.468 758.943 16.623 -59.04742      28.75863 
1 1 1 -5  9  8  o 188.014 11.723 7.5327  0.9288 7.0832  1.5330  7.7934  1.1675 181.104 20.340 190.932 14.548 -9.827438      25.00676 
1 1 1 -5  9  9  o 536.503 11.642 61.103  2.6452 61.175  4.5028  61.065  3.2687 535.526 19.855 535.976 14.401 -0.4506226     24.52731 
1 1 1 -5  9  10 o 293.275 10.989 18.254  1.3649 19.183  2.3413  17.775  1.6798 299.462 18.553 289.221 13.715 10.24103       23.07207 
1 1 1 -5  9  11 o 337.825 9.9006 24.207  1.4164 22.751  1.9408  25.866  2.0719 327.228 14.005 348.908 14.022 -21.68036      19.81824 
1 1 1 -5  9  12 o 519.201 10.663 57.180  2.3446 55.531  3.2077  59.070  3.4354 511.249 14.816 527.219 15.386 -15.96954      21.36001 
1 1 1 -5  9  13 o 768.306 12.008 125.222 3.9070 126.911 5.3992  123.367 5.6607 772.837 16.497 761.796 17.546 11.04132       24.08354 
1 1 1 -5  9  14 o 422.279 12.646 37.821  2.2615 39.994  3.6738  36.495  2.8696 433.701 20.002 414.580 16.344 19.12067       25.83077 
1 1 1 -5  9  15 o 716.152 14.565 108.798 4.4172 113.768 7.4720  106.127 5.4767 731.160 24.131 706.935 18.293 24.22589       30.28155 
1 1 1 -5  9  16 o 641.491 17.049 87.330  4.6315 90.291  6.8292  84.808  6.3023 651.474 24.753 631.520 23.565 19.95404       34.17645 
1 1 1 -5  9  17 o 319.898 14.909 21.705  2.0197 17.660  3.3444  24.027  2.5340 286.624 27.907 335.980 17.874 -49.35583      33.13992 
1 1 1 -5  9  18 o 671.951 19.964 95.911  5.6811 0.0000  0.0000  95.911  5.6811 ?       ?      671.951 19.964 0.000000       19.96416 
1 1 1 -5  9  19 o 569.331 16.045 68.791  3.8686 75.475  6.4260  64.991  4.8450 595.319 25.489 552.968 20.690 42.35144       32.82872 
1 1 1 -5  9  20 o 281.653 20.598 16.958  2.4399 14.601  3.2091  20.187  3.7561 259.804 29.701 306.076 29.337 -46.27267      41.74685 
1 1 1 -5  9  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  9  22 o 960.242 22.662 196.424 9.2157 200.061 12.640  192.297 13.465 966.606 30.878 946.701 33.585 19.90442       45.62284 
1 1 1 -5  9  23 o 403.936 20.989 34.836  3.5780 36.404  4.9226  33.081  5.2097 411.562 28.418 391.515 31.693 20.04678       42.56768 
1 1 1 -5  9  24 o 1190.04 24.411 302.661 12.302 293.665 17.084  312.350 17.730 1166.82 34.573 1203.22 34.795 -36.40601      49.05110 
1 1 1 -5  9  25 o 585.347 30.198 74.050  7.4601 74.050  7.4601  0.0000  0.0000 585.347 30.198 ?       ?      0.000000       30.19756 
1 1 1 -5  9  26 o 910.859 33.120 180.320 12.776 0.0000  0.0000  180.320 12.776 ?       ?      910.859 33.120 0.000000       33.11985 
1 1 1 -5  9  27 o 150.821 26.864 5.0516  1.6530 4.7624  2.2835  5.3698  2.3958 144.532 37.115 153.379 37.254 -8.846451      52.58673 
1 1 1 -5  9  28 o 302.568 18.453 19.675  2.3531 21.876  3.9843  18.497  2.9160 315.340 30.205 291.895 23.797 23.44553       38.45268 
1 1 1 -5  9  29 o 383.589 17.974 31.583  2.9198 29.235  4.9436  32.840  3.6183 362.260 32.572 389.247 22.041 -26.98679      39.32867 
1 1 1 -5  9  30 o 292.786 18.656 18.521  2.3011 21.052  3.9482  17.218  2.8318 307.197 30.762 280.397 24.081 26.79971       39.06682 
1 1 1 -5  9  31 o 492.343 21.962 52.747  4.5792 49.970  6.4954  55.491  6.4567 470.557 32.800 497.780 30.780 -27.22302      44.98040 
1 1 1 -5  9  32 o 292.257 23.961 18.857  2.9395 17.488  4.0321  20.411  4.2944 274.879 35.465 297.718 34.712 -22.83844      49.62536 
1 1 1 -5  10 1  o 142.436 20.433 4.4093  1.1972 5.3556  1.6895  3.4548  1.6968 156.119 26.502 124.448 32.013 31.67095       41.55953 
1 1 1 -5  10 2  o 554.804 18.442 65.506  4.3330 70.267  6.0420  60.464  6.2172 573.435 24.880 530.643 27.763 42.79248       37.27992 
1 1 1 -5  10 3  o 606.966 18.215 78.394  4.6821 81.454  6.5628  75.223  6.6817 617.333 25.103 592.908 26.611 24.42432       36.58282 
1 1 1 -5  10 4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  10 5  o 424.811 16.565 38.378  2.9800 38.892  4.0757  37.788  4.3682 426.255 22.660 419.722 24.684 6.533142       33.50774 
1 1 1 -5  10 6  o 304.106 12.729 19.636  1.6393 19.424  2.7085  19.758  2.0594 300.980 21.389 304.392 16.032 -3.411438      26.73038 
1 1 1 -5  10 7  o 253.857 14.810 13.746  1.5853 13.178  2.0909  14.513  2.4313 247.770 20.100 259.701 22.324 -11.93135      30.03945 
1 1 1 -5  10 8  o 222.073 11.601 10.497  1.0872 10.528  1.8140  10.480  1.3582 221.346 19.553 221.562 14.556 -0.2169800     24.37619 
1 1 1 -5  10 9  o 311.460 9.9353 20.580  1.3105 20.240  1.9128  20.880  1.7990 308.542 14.639 313.468 13.552 -4.926361      19.94860 
1 1 1 -5  10 10 f 253.576 9.7504 13.639  1.0471 14.268  1.5031  13.046  1.4594 258.769 13.766 247.385 13.988 11.38368       19.62515 
1 1 1 -5  10 11 o 716.443 10.979 108.910 3.3310 109.400 4.6264  108.382 4.8000 717.376 15.228 713.908 15.876 3.467834       21.99923 
1 1 1 -5  10 12 o 468.580 10.391 46.566  2.0620 47.942  2.8304  45.009  3.0100 475.143 14.066 460.245 15.443 14.89780       20.88890 
1 1 1 -5  10 13 o 869.239 14.546 160.398 5.3546 161.926 6.2951  156.398 10.184 872.960 17.028 855.363 28.114 17.59711       32.86829 
1 1 1 -5  10 14 o 955.952 14.989 193.932 6.0680 184.460 10.004  199.446 7.6324 930.385 25.390 968.866 18.602 -38.48059      31.47506 
1 1 1 -5  10 15 o 337.523 15.109 24.169  2.1596 22.993  3.1087  25.265  3.0024 328.065 22.511 344.194 20.694 -16.12833      30.57807 
1 1 1 -5  10 16 o 384.381 16.403 31.349  2.6700 33.536  3.8346  29.292  3.7200 396.516 22.933 370.373 23.844 26.14319       33.08293 
1 1 1 -5  10 17 o 393.243 17.963 32.825  2.9915 0.0000  0.0000  32.825  2.9915 ?       ?      393.243 17.963 0.000000       17.96343 
1 1 1 -5  10 18 o 1264.27 18.687 339.418 10.005 329.280 16.939  344.850 12.399 1241.74 32.211 1273.41 22.993 -31.66162      39.57542 
1 1 1 -5  10 19 o 216.969 16.482 10.050  1.5031 12.465  2.3294  8.3272  1.9675 240.948 23.112 196.330 24.174 44.61841       33.44503 
1 1 1 -5  10 20 o 775.552 21.150 127.947 6.9465 135.171 9.2637  118.667 10.500 795.891 27.485 744.377 33.307 51.51337       43.18301 
1 1 1 -5  10 21 o 422.948 31.315 38.500  5.5692 0.0000  0.0000  38.500  5.5692 ?       ?      422.948 31.315 0.000000       31.31547 
1 1 1 -5  10 22 o 900.499 22.200 172.715 8.4660 172.936 11.474  172.452 12.543 898.856 30.142 896.631 33.032 2.225220       44.71782 
1 1 1 -5  10 23 o 640.024 21.112 87.247  5.7224 89.831  7.7667  84.178  8.4636 647.928 28.305 625.502 32.059 22.42609       42.76594 
1 1 1 -5  10 24 o 489.655 20.898 51.130  4.3334 53.480  5.9241  48.425  6.3554 498.579 28.172 473.292 31.894 25.28763       42.55467 
1 1 1 -5  10 25 o 544.346 29.397 64.036  6.7516 64.036  6.7516  0.0000  0.0000 544.346 29.397 ?       ?      0.000000       29.39679 
1 1 1 -5  10 26 o 574.061 31.863 71.740  7.7158 0.0000  0.0000  71.740  7.7158 ?       ?      574.061 31.863 0.000000       31.86316 
1 1 1 -5  10 27 o 218.804 23.379 10.406  2.1328 10.408  2.9281  10.404  3.1128 216.129 33.041 215.347 35.361 0.7822571      48.39486 
1 1 1 -5  10 28 o 326.871 22.000 23.103  3.0276 26.285  4.2010  19.665  4.3672 346.225 28.917 296.490 35.486 49.73450       45.77606 
1 1 1 -5  10 29 f 492.592 17.973 52.101  3.7492 54.388  6.3043  50.850  4.6636 496.294 30.138 484.634 22.723 11.66028       37.74420 
1 1 1 -5  10 30 o 503.376 21.799 54.887  4.6470 56.142  6.5375  53.606  6.6066 502.646 30.861 490.266 31.995 12.38016       44.45366 
1 1 1 -5  10 31 o 291.193 18.729 18.397  2.2974 15.367  3.8700  20.045  2.8549 257.531 36.506 302.461 22.448 -44.92963      42.85593 
1 1 1 -5  10 32 f 238.210 24.425 12.590  2.4292 14.101  3.2726  10.735  3.6252 248.478 31.831 210.709 42.099 37.76845       52.77868 
1 1 1 -5  11 1  o 437.322 18.350 40.716  3.3985 40.649  4.7060  40.788  4.9131 435.117 25.652 435.601 26.763 -0.4838562     37.07130 
1 1 1 -5  11 2  o 773.883 19.270 127.561 6.3154 127.275 8.8328  127.859 9.0332 770.825 27.058 772.407 27.615 -1.581787      38.66202 
1 1 1 -5  11 3  o 694.930 18.420 102.811 5.4209 102.317 7.5722  103.331 7.7639 691.453 25.859 694.718 26.389 -3.265442      36.94717 
1 1 1 -5  11 4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  11 5  o 612.272 16.991 79.768  4.4055 81.759  5.9971  77.434  6.4930 618.634 22.891 601.412 25.493 17.22253       34.26254 
1 1 1 -5  11 6  o 228.839 12.707 11.155  1.2266 11.118  2.0114  11.177  1.5476 227.264 21.142 228.657 16.084 -1.392761      26.56457 
1 1 1 -5  11 7  o 390.813 11.912 32.426  1.9715 30.144  3.2507  33.754  2.4795 375.294 20.531 398.461 14.694 -23.16739      25.24752 
1 1 1 -5  11 8  o 180.990 15.167 7.0148  1.1518 8.0158  1.5795  5.8781  1.6832 192.889 19.609 163.827 25.057 29.06218       31.81785 
1 1 1 -5  11 9  f 140.068 13.215 4.2047  0.7746 3.8298  0.9589  4.9091  1.3143 132.985 17.447 150.171 21.260 -17.18523      27.50266 
1 1 1 -5  11 10 o 271.407 9.8331 15.625  1.1302 15.803  1.6168  15.454  1.5805 272.344 14.067 269.337 13.904 3.006866       19.77841 
1 1 1 -5  11 11 o 481.448 10.080 49.161  2.0553 48.460  2.8524  49.918  2.9640 477.631 14.102 484.724 14.439 -7.092804      20.18303 
1 1 1 -5  11 12 o 294.067 10.298 18.338  1.2825 17.383  1.7576  19.425  1.8755 285.728 14.574 302.435 14.643 -16.70709      20.65948 
1 1 1 -5  11 13 o 390.852 10.614 32.389  1.7568 33.935  2.4261  30.684  2.5474 399.864 14.327 380.128 15.824 19.73560       21.34636 
1 1 1 -5  11 14 f 222.841 14.333 10.579  1.3454 11.063  1.8764  10.066  1.9301 227.318 19.686 216.538 21.324 10.77968       29.02195 
1 1 1 -5  11 15 o 197.511 15.760 8.3294  1.3072 9.5402  1.8470  7.1143  1.8503 210.856 20.963 181.194 24.762 29.66162       32.44329 
1 1 1 -5  11 16 o 532.700 17.671 60.230  3.9865 0.0000  0.0000  60.230  3.9865 ?       ?      532.700 17.671 0.000000       17.67132 
1 1 1 -5  11 17 o 385.083 18.460 31.483  3.0104 0.0000  0.0000  31.483  3.0104 ?       ?      385.083 18.460 0.000000       18.45996 
1 1 1 -5  11 18 o 567.187 15.087 68.249  3.6240 67.747  6.0647  68.528  4.5196 564.108 25.386 568.046 18.788 -3.938293      31.58238 
1 1 1 -5  11 19 o 504.532 19.571 54.095  4.1816 56.892  5.4687  50.159  6.4885 516.823 24.986 483.369 31.876 33.45389       40.50175 
1 1 1 -5  11 20 f 1163.61 23.134 288.327 11.400 278.521 15.247  300.761 17.168 1140.89 31.556 1184.48 34.226 -43.58643      46.55327 
1 1 1 -5  11 21 o 229.192 25.320 11.338  2.4165 0.0000  0.0000  11.338  2.4165 ?       ?      229.192 25.320 0.000000       25.32008 
1 1 1 -5  11 22 o 1331.74 24.899 378.375 14.042 379.261 19.061  377.323 20.766 1329.08 33.864 1323.89 37.039 5.187866       50.18688 
1 1 1 -5  11 23 o 734.421 21.406 114.924 6.6576 123.411 8.9767  104.549 9.9252 759.404 27.913 697.316 33.610 62.08801       43.68890 
1 1 1 -5  11 24 o 744.778 29.339 119.182 9.2538 119.182 9.2538  0.0000  0.0000 744.778 29.339 ?       ?      0.000000       29.33921 
1 1 1 -5  11 25 o 983.153 22.938 206.979 9.5502 208.185 13.058  205.591 14.004 981.229 31.424 973.398 33.971 7.831543       46.27628 
1 1 1 -5  11 26 o 498.093 32.159 54.127  6.7473 0.0000  0.0000  54.127  6.7473 ?       ?      498.093 32.159 0.000000       32.15895 
1 1 1 -5  11 27 o 213.933 23.703 9.9646  2.1113 10.093  2.8176  9.8000  3.1885 212.930 32.256 208.040 37.573 4.889999       49.51977 
1 1 1 -5  11 28 o 467.894 21.480 47.135  4.2563 50.399  5.8289  43.407  6.2297 479.882 28.815 442.715 33.475 37.16705       44.16904 
1 1 1 -5  11 29 o 214.696 24.377 10.136  2.1771 6.1445  2.8980  15.306  3.2984 161.162 42.026 262.038 30.281 -100.8761      51.79894 
1 1 1 -5  11 30 o 288.187 22.629 18.136  2.7395 17.639  3.7617  18.696  3.9976 279.876 32.333 287.643 33.441 -7.766998      46.51606 
1 1 1 -5  11 31 o 586.659 18.271 74.351  4.5394 82.014  7.6636  70.209  5.6341 606.199 29.852 566.431 23.487 39.76819       37.98431 
1 1 1 -5  11 32 o 249.544 24.025 13.790  2.5076 17.955  3.3904  8.7595  3.7259 282.504 28.739 187.018 47.077 95.48674       55.15606 
1 1 1 -5  12 1  o 184.517 20.167 7.3448  1.5502 6.4216  2.0729  8.5164  2.3351 170.459 29.800 197.145 28.821 -26.68541      41.45685 
1 1 1 -5  12 2  o 512.307 17.899 55.881  3.8833 57.216  5.4142  54.466  5.5728 517.107 24.723 503.542 26.224 13.56488       36.04091 
1 1 1 -5  12 3  o 545.662 17.721 63.389  4.0951 66.626  5.7079  59.956  5.8784 558.130 24.149 528.981 26.241 29.14929       35.66164 
1 1 1 -5  12 4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  12 5  o 502.187 13.257 53.572  2.8194 48.976  4.6741  56.201  3.5349 478.613 23.060 513.946 16.241 -35.33377      28.20547 
1 1 1 -5  12 6  o 343.247 12.395 25.019  1.8018 27.675  2.9632  23.461  2.2696 359.732 19.524 332.057 16.139 27.67505       25.33102 
1 1 1 -5  12 7  o 258.763 11.772 14.215  1.2900 12.506  2.1354  15.198  1.6188 241.107 21.127 266.999 14.369 -25.89195      25.55042 
1 1 1 -5  12 8  f 366.678 11.363 28.541  1.7645 30.098  3.0250  27.738  2.1723 375.215 19.100 361.229 14.200 13.98602       23.80038 
1 1 1 -5  12 9  o 426.470 10.019 38.583  1.8096 40.072  2.6092  37.203  2.5119 434.217 14.189 418.386 14.177 15.83121       20.05759 
1 1 1 -5  12 10 o 582.221 11.984 71.956  2.9549 73.468  3.6168  68.922  5.1243 587.962 14.525 568.289 21.292 19.67310       25.77491 
1 1 1 -5  12 11 o 474.214 11.457 47.712  2.3008 48.207  2.8112  46.706  4.0042 476.445 13.933 468.213 20.195 8.232239       24.53440 
1 1 1 -5  12 12 o 444.611 11.635 41.930  2.1907 42.348  2.6996  41.124  3.7488 446.626 14.273 439.559 20.139 7.066406       24.68385 
1 1 1 -5  12 13 o 346.115 11.806 25.404  1.7305 24.915  2.1397  26.327  2.9421 342.630 14.746 351.319 19.856 -8.689087      24.73299 
1 1 1 -5  12 14 o 298.448 10.857 18.880  1.3722 19.690  1.9197  18.034  1.9623 304.643 14.880 291.067 15.980 13.57648       21.83547 
1 1 1 -5  12 15 o 500.431 16.595 53.143  3.5170 0.0000  0.0000  53.143  3.5170 ?       ?      500.431 16.595 0.000000       16.59505 
1 1 1 -5  12 16 o 591.027 17.124 74.130  4.2861 0.0000  0.0000  74.130  4.2861 ?       ?      591.027 17.124 0.000000       17.12421 
1 1 1 -5  12 17 o 838.896 15.731 149.309 5.5888 140.664 9.3505  154.114 6.9710 812.662 27.170 851.860 19.323 -39.19775      33.34031 
1 1 1 -5  12 18 o 330.726 19.019 23.310  2.6525 25.446  3.4626  20.276  4.1267 344.992 23.846 306.407 32.289 38.58463       40.13995 
1 1 1 -5  12 19 o 600.217 19.617 76.571  4.9863 74.637  6.5391  79.257  7.7075 591.737 26.094 609.149 29.878 -17.41150      39.66861 
1 1 1 -5  12 20 o 448.077 15.906 42.630  3.0182 39.679  4.8253  44.526  3.8685 430.427 26.602 457.574 19.963 -27.14728      33.25948 
1 1 1 -5  12 21 o 687.805 21.114 100.698 6.1501 0.0000  0.0000  100.698 6.1501 ?       ?      687.805 21.114 0.000000       21.11429 
1 1 1 -5  12 22 o 731.463 16.986 113.699 5.2619 119.005 8.6133  110.540 6.6462 746.235 27.255 720.399 21.785 25.83557       34.89180 
1 1 1 -5  12 23 o 536.164 20.558 61.238  4.6680 55.602  6.1570  68.859  7.1588 508.667 28.699 565.874 29.980 -57.20731      41.50195 
1 1 1 -5  12 24 o 539.486 27.926 62.654  6.3584 62.654  6.3584  0.0000  0.0000 539.486 27.926 ?       ?      0.000000       27.92614 
1 1 1 -5  12 25 o 330.993 32.448 23.953  4.4899 0.0000  0.0000  23.953  4.4899 ?       ?      330.993 32.448 0.000000       32.44837 
1 1 1 -5  12 26 o 346.794 32.968 26.410  4.7836 0.0000  0.0000  26.410  4.7836 ?       ?      346.794 32.968 0.000000       32.96819 
1 1 1 -5  12 27 f 163.000 25.976 5.8739  1.7329 6.1915  2.2749  5.4348  2.6749 165.423 33.619 153.647 40.527 11.77565       52.65578 
1 1 1 -5  12 28 o 719.177 22.021 111.542 6.7068 114.100 9.1326  108.548 9.8811 721.892 29.873 701.344 33.268 20.54761       44.71215 
1 1 1 -5  12 29 o 352.444 21.831 26.968  3.2423 27.002  4.4013  26.928  4.7946 348.857 30.086 346.766 33.049 2.090637       44.69226 
1 1 1 -5  12 30 o 231.189 23.454 11.746  2.2645 13.621  3.0686  9.5048  3.3557 246.406 30.027 200.438 40.918 45.96823       50.75354 
1 1 1 -5  12 31 o 288.921 19.055 18.147  2.3183 16.903  3.7362  18.927  2.9563 271.811 33.144 292.870 24.048 -21.05896      40.94946 
1 1 1 -5  12 32 o 247.861 24.042 13.611  2.4919 17.291  3.3671  9.1557  3.7052 276.890 29.153 191.689 46.188 85.20052       54.61900 
1 1 1 -5  13 1  o 68.853  27.720 0.4693  1.2409 0.4693  1.2409  0.0000  0.0000 68.853  27.720 ?       ?      0.000000       27.72005 
1 1 1 -5  13 2  o 325.755 17.650 22.663  2.4258 19.667  3.3355  26.026  3.5343 301.750 26.367 347.929 24.136 -46.17969      35.74561 
1 1 1 -5  13 3  o 314.705 17.344 21.150  2.3026 19.963  3.1475  22.517  3.3773 304.392 24.628 323.347 24.854 -18.95511      34.98927 
1 1 1 -5  13 4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -5  13 5  o 187.197 13.413 7.4830  1.0563 5.6680  1.7351  8.5520  1.3315 160.532 26.442 199.877 15.861 -39.34453      30.83452 
1 1 1 -5  13 6  o 584.561 12.852 72.584  3.1816 75.726  5.2895  70.803  3.9825 595.524 20.973 576.792 16.304 18.73218       26.56517 
1 1 1 -5  13 7  o 448.309 11.893 42.674  2.2579 41.477  3.7710  43.343  2.8191 440.839 20.199 451.475 14.745 -10.63638      25.00809 
1 1 1 -5  13 8  o 347.682 11.309 25.658  1.6652 25.060  2.8336  25.973  2.0580 342.230 19.633 349.598 13.901 -7.368164      24.05607 
1 1 1 -5  13 9  o 421.566 11.370 37.718  2.0299 36.735  3.5072  38.213  2.4892 415.039 19.954 424.087 13.860 -9.048187      24.29537 
1 1 1 -5  13 10 o 271.925 11.330 15.690  1.3047 15.329  2.2306  15.877  1.6085 267.491 19.832 273.044 13.958 -5.552307      24.25154 
1 1 1 -5  13 11 o 477.487 11.770 48.372  2.3799 50.981  4.0997  47.046  2.9229 489.316 19.784 470.639 14.665 18.67688       24.62670 
1 1 1 -5  13 12 f 570.086 12.627 68.947  3.0485 67.247  5.2679  69.803  3.7381 561.915 22.137 573.351 15.395 -11.43597      26.96396 
1 1 1 -5  13 13 o 565.424 13.115 67.812  3.1404 69.484  5.4965  67.001  3.8265 571.379 22.715 561.792 16.083 9.586853       27.83254 
1 1 1 -5  13 14 o 699.781 14.008 103.865 4.1511 98.750  7.4411  106.175 5.0018 680.968 25.803 707.272 16.699 -26.30469      30.73522 
1 1 1 -5  13 15 o 501.143 16.484 53.292  3.4983 0.0000  0.0000  53.292  3.4983 ?       ?      501.143 16.484 0.000000       16.48372 
1 1 1 -5  13 16 o 998.095 15.748 211.345 6.6564 205.418 11.045  214.725 8.3412 982.263 26.553 1005.52 19.588 -23.25348      32.99600 
1 1 1 -5  13 17 f 243.837 18.441 12.696  1.8902 13.198  2.4533  11.964  2.9653 247.974 23.648 234.876 30.534 13.09818       38.62046 
1 1 1 -5  13 18 o 519.167 18.770 57.255  4.1268 55.505  5.3900  59.734  6.4153 510.551 24.929 528.389 28.778 -17.83798      38.07402 
1 1 1 -5  13 19 o 425.632 15.028 38.449  2.7088 43.124  4.4415  35.680  3.4181 449.431 23.417 409.682 19.701 39.74829       30.60206 
1 1 1 -5  13 20 o 319.405 18.622 21.759  2.5080 27.025  3.3822  15.327  3.7380 355.535 22.581 265.230 34.067 90.30484       40.87118 
1 1 1 -5  13 21 o 763.677 16.724 123.906 5.4088 123.698 8.8250  124.031 6.8451 760.893 27.387 763.291 21.176 -2.397583      34.61907 
1 1 1 -5  13 22 o 394.994 16.835 33.157  2.8161 33.447  4.3143  32.941  3.7172 394.913 25.941 392.523 22.455 2.389252       34.30996 
1 1 1 -5  13 23 o 625.552 20.598 83.388  5.4567 78.464  7.1801  90.120  8.3956 605.173 28.016 647.836 30.601 -42.66284      41.48920 
1 1 1 -5  13 24 o 148.783 32.114 4.9561  1.9641 4.9561  1.9641  0.0000  0.0000 148.783 32.114 ?       ?      0.000000       32.11385 
1 1 1 -5  13 25 o 892.544 33.690 173.160 12.734 0.0000  0.0000  173.160 12.734 ?       ?      892.544 33.690 0.000000       33.69005 
1 1 1 -5  13 26 o 324.872 21.148 22.713  2.8937 25.054  3.8412  19.641  4.4000 339.629 26.927 297.560 35.625 42.06897       44.65705 
1 1 1 -5  13 27 o 316.729 21.680 21.654  2.8904 25.430  3.8602  16.835  4.3608 341.671 26.896 273.230 38.775 68.44122       47.18995 
1 1 1 -5  13 28 o 123.213 29.431 3.4533  1.5146 3.4980  1.9379  3.3830  2.4281 123.756 35.265 123.602 40.347 0.1541672      53.58622 
1 1 1 -5  13 29 o 273.452 22.671 16.314  2.6017 15.044  3.4506  17.987  3.9606 258.697 32.193 282.378 33.791 -23.68082      46.67156 
1 1 1 -5  13 30 o 166.438 26.616 6.2219  1.8128 7.2131  2.4203  4.9552  2.7360 176.812 33.551 144.221 42.147 32.59047       53.87005 
1 1 1 -5  13 31 f 672.464 22.207 98.767  6.3242 95.522  8.6200  102.549 9.3068 651.670 31.235 673.407 32.635 -21.73651      45.17331 
1 1 1 -5  13 32 o 123.943 30.786 3.5833  1.6087 4.6151  2.1044  2.1328  2.4951 139.354 35.546 105.987 40.269 33.36733       53.71270 
1 1 1 -5  14 1  o 170.797 29.583 6.4496  2.0623 6.4496  2.0623  0.0000  0.0000 170.797 29.583 ?       ?      0.000000       29.58323 
1 1 1 -5  14 2  f 248.072 25.547 13.325  2.6455 13.325  2.6455  0.0000  0.0000 248.072 25.547 ?       ?      0.000000       25.54671 
1 1 1 -5  14 3  f 279.452 23.852 16.831  2.7957 16.831  2.7957  0.0000  0.0000 279.452 23.852 ?       ?      0.000000       23.85199 
1 1 1 -5  14 4  o 274.858 16.926 16.144  1.9606 0.0000  0.0000  16.144  1.9606 ?       ?      274.858 16.926 0.000000       16.92576 
1 1 1 -5  14 5  o 463.434 12.936 45.624  2.5388 47.098  4.1891  44.768  3.1917 469.615 21.064 458.614 16.434 11.00092       26.71606 
1 1 1 -5  14 6  o 93.059  16.691 1.8991  0.6336 1.8032  1.0794  1.9495  0.7827 90.782  26.456 93.795  20.294 -3.012779      33.34296 
1 1 1 -5  14 7  o 387.718 10.485 31.897  1.7216 32.823  2.4721  31.025  2.3989 392.892 14.858 381.985 14.830 10.90677       20.99192 
1 1 1 -5  14 8  f 325.471 10.123 22.472  1.3952 23.230  2.0151  21.775  1.9337 330.596 14.393 320.086 14.265 10.51028       20.26487 
1 1 1 -5  14 9  o 259.786 10.153 14.315  1.1171 14.546  1.6322  14.112  1.5321 261.198 14.817 257.344 14.112 3.854187       20.46145 
1 1 1 -5  14 10 o 64.065  17.139 0.9030  0.4741 0.5008  0.6869  1.2689  0.6552 56.459  21.201 75.842  20.082 -19.38242      29.20247 
1 1 1 -5  14 11 o 428.117 11.665 38.878  2.1149 36.437  3.6239  40.139  2.6043 413.153 20.778 434.824 14.143 -21.67087      25.13477 
1 1 1 -5  14 12 o 720.667 11.234 110.125 3.4287 109.204 4.7814  111.100 4.9193 717.169 15.743 723.326 16.059 -6.157593      22.48881 
1 1 1 -5  14 13 o 1063.59 13.262 239.927 5.9734 236.637 8.2750  243.506 8.6316 1055.46 18.513 1070.57 19.039 -15.11023      26.55577 
1 1 1 -5  14 14 o 716.377 11.823 108.792 3.5867 110.687 4.9927  106.771 5.1560 722.213 16.324 709.239 17.166 12.97424       23.68886 
1 1 1 -5  14 15 o 360.423 15.898 27.561  2.4266 28.896  3.1150  25.500  3.8699 368.296 20.047 345.057 26.690 23.23889       33.38077 
1 1 1 -5  14 16 o 788.133 18.061 131.867 6.0283 127.651 7.8425  137.955 9.4244 774.681 23.905 804.725 27.654 -30.04395      36.55409 
1 1 1 -5  14 17 o 270.688 15.233 15.595  1.7391 15.010  2.6683  16.026  2.2931 264.519 24.083 273.934 19.902 -9.415558      31.24273 
1 1 1 -5  14 18 o 491.460 14.922 51.251  3.1056 51.759  5.0167  50.935  3.9545 493.066 24.025 489.618 19.072 3.447296       30.67467 
1 1 1 -5  14 19 o 571.345 15.261 69.291  3.6925 69.758  6.0397  69.013  4.6661 572.092 24.929 569.772 19.338 2.320190       31.55041 
1 1 1 -5  14 20 o 267.839 19.095 15.331  2.1518 17.177  2.8499  12.883  3.2816 282.872 24.017 243.058 32.712 39.81433       40.58194 
1 1 1 -5  14 21 o 1115.77 18.239 264.687 8.6183 251.708 14.327  272.046 10.788 1083.84 31.214 1129.97 22.545 -46.13159      38.50459 
1 1 1 -5  14 22 o 227.992 18.408 11.127  1.7622 11.351  2.5842  10.933  2.4091 228.846 27.198 224.805 25.771 4.040909       37.46795 
1 1 1 -5  14 23 o 301.892 21.195 19.530  2.6926 20.695  3.3866  17.530  4.4395 309.886 26.048 282.085 38.141 27.80038       46.18633 
1 1 1 -5  14 24 o 81.808  29.198 1.2397  1.2777 0.8853  1.6859  1.7179  1.9584 83.123  32.687 98.317  36.003 -15.19486      48.62729 
1 1 1 -5  14 25 o 388.923 32.588 33.071  5.3180 0.0000  0.0000  33.071  5.3180 ?       ?      388.923 32.588 0.000000       32.58843 
1 1 1 -5  14 26 o 453.087 20.765 43.998  3.9844 39.560  5.2217  50.183  6.1646 426.249 29.101 479.668 30.506 -53.41953      42.16029 
1 1 1 -5  14 27 o 441.945 20.980 41.962  3.9266 43.610  5.1959  39.768  5.9957 447.428 27.555 424.284 33.645 23.14432       43.48882 
1 1 1 -5  14 28 o 169.703 24.778 6.3756  1.7282 5.2322  2.2345  8.0777  2.7264 150.406 35.629 187.692 35.603 -37.28551      50.36897 
1 1 1 -5  14 29 o 269.535 22.778 15.867  2.5757 12.861  3.3698  20.091  3.9945 237.773 34.470 299.349 32.006 -61.57610      47.03809 
1 1 1 -5  14 30 o 92.648  30.664 1.8521  1.4007 1.6992  1.7759  2.1037  2.2785 93.836  34.296 104.373 38.726 -10.53722      51.72990 
1 1 1 -5  14 31 o 296.618 22.643 19.352  2.8228 20.092  3.7793  18.419  4.2451 297.939 30.378 281.254 36.501 16.68509       47.48885 
1 1 1 -5  15 1  o 300.949 26.306 19.576  3.3190 0.0000  0.0000  19.576  3.3190 ?       ?      300.949 26.306 0.000000       26.30580 
1 1 1 -5  15 2  o 160.447 20.364 5.5806  1.3526 4.2600  1.8574  7.0715  1.9736 137.760 32.383 179.624 26.761 -41.86499      42.00984 
1 1 1 -5  15 3  o 214.660 27.569 10.056  2.4483 10.056  2.4483  0.0000  0.0000 214.660 27.569 ?       ?      0.000000       27.56901 
1 1 1 -5  15 4  o 261.351 23.360 14.730  2.5583 0.0000  0.0000  14.730  2.5583 ?       ?      261.351 23.360 0.000000       23.36039 
1 1 1 -5  15 5  o 300.153 14.982 19.159  1.9044 19.672  2.6575  18.618  2.7305 302.829 20.849 294.339 22.066 8.489502       30.35792 
1 1 1 -5  15 6  o 589.586 12.653 73.828  3.1593 73.000  5.2646  74.295  3.9495 584.658 21.263 590.950 15.781 -6.291687      26.47937 
1 1 1 -5  15 7  o 584.977 10.894 72.617  2.6987 71.873  3.8690  73.322  3.7661 581.289 15.717 587.216 15.144 -5.926392      21.82580 
1 1 1 -5  15 8  o 442.837 10.401 41.602  1.9505 40.600  2.7811  42.572  2.7364 437.025 15.027 447.581 14.436 -10.55545      20.83774 
1 1 1 -5  15 9  o 495.875 10.252 52.153  2.1530 54.034  3.0924  50.383  2.9993 504.324 14.479 486.984 14.543 17.34045       20.52215 
1 1 1 -5  15 10 o 562.082 10.353 66.998  2.4643 68.340  3.4839  65.655  3.4862 567.274 14.502 555.985 14.806 11.28949       20.72508 
1 1 1 -5  15 11 o 337.833 10.107 24.196  1.4460 23.274  1.9973  25.212  2.0962 331.131 14.243 344.641 14.362 -13.50949      20.22704 
1 1 1 -5  15 12 o 776.219 13.484 127.816 4.4325 117.184 7.6395  133.212 5.4423 741.693 24.322 792.106 16.224 -50.41217      29.23634 
1 1 1 -5  15 13 o 457.900 12.491 44.458  2.4221 44.524  2.8498  44.287  4.5969 458.118 14.689 455.563 23.911 2.555298       28.06239 
1 1 1 -5  15 14 o 611.754 13.588 79.362  3.5204 81.278  4.1735  74.634  6.5544 618.926 15.923 592.073 26.140 26.85364       30.60808 
1 1 1 -5  15 15 o 510.402 13.874 55.245  2.9989 56.650  3.5823  51.953  5.4826 516.700 16.371 493.309 26.339 23.39185       31.01212 
1 1 1 -5  15 16 o 846.907 14.587 152.139 5.2317 151.669 8.5883  152.417 6.5970 844.343 24.018 847.247 18.386 -2.903076      30.24794 
1 1 1 -5  15 17 o 797.006 14.830 134.767 5.0056 134.976 8.2165  134.644 6.3122 796.307 24.365 796.181 18.721 0.1254272      30.72636 
1 1 1 -5  15 18 o 878.434 15.868 163.800 5.9030 155.108 9.7726  168.793 7.4069 852.788 27.060 891.134 19.627 -38.34589      33.42819 
1 1 1 -5  15 19 o 377.426 15.570 30.244  2.4887 30.088  3.8930  30.352  3.2362 374.905 24.658 377.203 20.334 -2.298187      31.96072 
1 1 1 -5  15 20 o 676.753 18.364 97.369  5.2630 101.605 7.4504  93.149  7.4356 690.035 25.496 660.477 26.584 29.55872       36.83351 
1 1 1 -5  15 21 o 634.292 16.157 85.470  4.3402 81.824  7.0482  87.697  5.5084 618.830 26.894 641.902 20.264 -23.07220      33.67380 
1 1 1 -5  15 22 o 354.279 16.596 26.679  2.4900 27.254  3.8459  26.263  3.2671 356.237 25.665 350.307 22.137 5.930267       33.89249 
1 1 1 -5  15 23 o 234.185 24.271 11.851  2.3722 11.072  2.8415  13.645  4.3090 224.899 30.631 246.790 42.779 -21.89095      52.61506 
1 1 1 -5  15 24 o 571.214 22.172 69.818  5.3634 0.0000  0.0000  69.818  5.3634 ?       ?      571.214 22.172 0.000000       22.17160 
1 1 1 -5  15 25 o 416.212 20.598 37.080  3.6306 38.953  4.7624  34.481  5.6101 424.275 26.641 396.488 33.732 27.78687       42.98332 
1 1 1 -5  15 26 o 319.344 20.936 21.961  2.8157 20.234  3.6395  24.535  4.4436 304.262 28.581 334.119 31.788 -29.85757      42.74733 
1 1 1 -5  15 27 o 155.681 25.876 5.3819  1.6461 3.3221  2.0567  9.0533  2.7458 121.624 36.792 200.475 33.526 -78.85101      49.77580 
1 1 1 -5  15 28 o 407.168 21.207 35.892  3.6442 34.987  4.7991  37.124  5.6005 398.425 28.633 408.091 32.680 -9.665955      43.44970 
1 1 1 -5  15 29 o 357.755 21.463 27.807  3.2367 29.978  4.2765  24.895  4.9524 368.507 27.604 330.992 35.907 37.51422       45.29078 
1 1 1 -5  15 30 o 84.837  29.145 1.4933  1.2651 0.6682  1.5743  2.9973  2.1254 76.803  31.116 115.133 37.757 -38.33017      48.92641 
1 1 1 -5  15 31 o 327.972 29.963 24.299  4.1157 24.299  4.1157  0.0000  0.0000 327.972 29.963 ?       ?      0.000000       29.96342 
1 1 1 -5  16 1  o 416.747 17.887 36.995  3.1568 39.263  4.4192  34.632  4.5109 427.544 24.510 400.906 26.722 26.63828       36.26014 
1 1 1 -5  16 2  o 378.634 25.430 30.860  4.0540 0.0000  0.0000  30.860  4.0540 ?       ?      378.634 25.430 0.000000       25.42991 
1 1 1 -5  16 3  o 375.219 17.557 29.986  2.7898 0.0000  0.0000  29.986  2.7898 ?       ?      375.219 17.557 0.000000       17.55704 
1 1 1 -5  16 4  o 405.673 16.479 35.026  2.8310 0.0000  0.0000  35.026  2.8310 ?       ?      405.673 16.479 0.000000       16.47850 
1 1 1 -5  16 5  o 305.778 15.093 19.882  1.9545 20.550  2.7963  19.245  2.7330 309.474 21.469 299.398 21.702 10.07605       30.52684 
1 1 1 -5  16 6  o 261.358 15.054 14.571  1.6591 16.757  2.3685  12.466  2.3248 279.571 20.140 240.387 23.122 39.18388       30.66361 
1 1 1 -5  16 7  o 369.617 12.056 29.001  1.8871 30.964  2.4069  25.870  3.0404 381.665 14.891 347.628 20.747 34.03696       25.53811 
1 1 1 -5  16 8  o 638.095 12.554 86.433  3.3923 90.216  4.2222  79.543  5.6979 651.511 15.303 610.538 22.037 40.97321       26.82928 
1 1 1 -5  16 9  o 473.741 11.830 47.619  2.3734 46.604  2.9655  49.429  3.9585 468.378 14.951 481.830 19.399 -13.45209      24.49201 
1 1 1 -5  16 10 o 584.945 12.087 72.585  2.9942 70.598  3.6873  76.431  5.1303 576.586 15.101 599.254 20.216 -22.66785      25.23321 
1 1 1 -5  16 11 o 630.173 12.342 84.228  3.2937 81.218  4.0047  90.520  5.7902 618.537 15.289 652.266 20.962 -33.72943      25.94479 
1 1 1 -5  16 12 o 661.862 13.024 92.906  3.6506 93.347  4.4124  91.949  6.4996 663.190 15.710 657.278 23.350 5.911438       28.14354 
1 1 1 -5  16 13 o 874.817 14.286 162.329 5.2925 160.522 6.2967  166.678 9.7683 869.611 17.098 884.685 26.073 -15.07349      31.17911 
1 1 1 -5  16 14 o 765.398 13.739 124.234 4.4535 118.020 7.2349  128.025 5.6510 745.012 22.931 776.661 17.181 -31.64874      28.65346 
1 1 1 -5  16 15 o 642.163 13.256 87.441  3.6050 85.641  5.8277  88.557  4.5881 634.772 21.679 645.973 16.772 -11.20123      27.40920 
1 1 1 -5  16 16 o 575.190 13.417 70.162  3.2682 67.329  5.2670  71.936  4.1676 562.719 22.102 582.154 16.905 -19.43518      27.82555 
1 1 1 -5  16 17 o 486.998 13.765 50.308  2.8389 47.570  4.5145  52.098  3.6511 472.862 22.544 495.328 17.406 -22.46594      28.48135 
1 1 1 -5  16 18 o 377.920 14.833 30.311  2.3739 28.784  3.6720  31.408  3.1115 366.863 23.763 384.409 19.113 -17.54575      30.49584 
1 1 1 -5  16 19 o 414.460 15.195 36.469  2.6670 41.166  4.2115  33.324  3.4460 439.049 22.729 395.215 20.661 43.83447       30.71587 
1 1 1 -5  16 20 o 126.790 46.689 2.8196  3.3001 0.0000  0.0000  2.8196  3.3001 ?       ?      126.790 46.689 0.000000       46.68908 
1 1 1 -5  16 21 o 719.801 16.121 110.077 4.9142 110.577 8.0888  109.785 6.1868 719.372 26.552 718.132 20.343 1.240540       33.44896 
1 1 1 -5  16 22 o 486.320 19.053 50.347  3.9240 55.619  5.3069  43.988  5.8285 510.252 24.559 451.670 30.653 58.58243       39.27802 
1 1 1 -5  16 23 o 405.004 16.885 34.914  2.8961 33.863  4.5192  35.647  3.7726 396.350 27.086 407.933 21.918 -11.58282      34.84323 
1 1 1 -5  16 24 o 637.254 22.089 86.939  5.9611 0.0000  0.0000  86.939  5.9611 ?       ?      637.254 22.089 0.000000       22.08874 
1 1 1 -5  16 25 o 360.700 20.512 27.947  3.1204 27.788  4.0282  28.184  4.9340 357.897 26.771 358.302 32.883 -0.4054565     42.40306 
1 1 1 -5  16 26 o 427.627 20.324 39.209  3.6806 36.144  4.7766  43.690  5.7747 407.470 27.847 446.885 30.700 -39.41568      41.44820 
1 1 1 -5  16 27 o 154.615 24.611 5.2954  1.5575 5.8574  1.9244  4.2284  2.6516 161.489 29.215 136.195 41.891 25.29433       51.07198 
1 1 1 -5  16 28 o 481.418 20.894 50.063  4.2598 45.914  5.5666  55.925  6.6172 456.101 28.970 501.873 31.290 -45.77194      42.64146 
1 1 1 -5  16 29 o 429.355 21.145 39.925  3.8448 36.496  5.0354  44.719  5.9542 405.304 29.540 447.329 31.635 -42.02512      43.28228 
1 1 1 -5  16 30 o 160.465 26.787 5.8250  1.7562 5.6334  2.2349  6.1344  2.8394 154.676 34.943 158.965 41.670 -4.288528      54.38194 
1 1 1 -5  16 31 o 113.165 34.193 2.9785  1.7771 2.9785  1.7771  0.0000  0.0000 113.165 34.193 ?       ?      0.000000       34.19293 
1 1 1 -5  17 1  o 590.666 17.988 74.303  4.4995 70.659  6.2430  78.242  6.4908 574.288 25.670 604.405 25.359 -30.11694      36.08314 
1 1 1 -5  17 2  o 237.853 18.809 12.130  1.8792 11.470  2.6635  12.784  2.6516 229.492 27.986 242.849 26.198 -13.35670      38.33438 
1 1 1 -5  17 3  o 269.312 18.225 15.520  2.0663 0.0000  0.0000  15.520  2.0663 ?       ?      269.312 18.225 0.000000       18.22488 
1 1 1 -5  17 4  o 300.463 17.340 19.283  2.1970 0.0000  0.0000  19.283  2.1970 ?       ?      300.463 17.340 0.000000       17.33958 
1 1 1 -5  17 5  o 309.015 21.346 20.479  2.7763 0.0000  0.0000  20.479  2.7763 ?       ?      309.015 21.346 0.000000       21.34627 
1 1 1 -5  17 6  o 392.863 12.796 32.772  2.1290 31.590  3.8730  33.284  2.5486 383.657 23.957 395.693 15.209 -12.03549      28.37714 
1 1 1 -5  17 7  o 233.820 11.356 11.600  1.1245 13.998  1.6653  9.5907  1.5245 256.172 15.422 211.641 17.157 44.53114       23.06994 
1 1 1 -5  17 8  o 448.119 10.501 42.590  1.9927 45.404  2.8568  39.923  2.7811 462.335 14.591 433.483 15.149 28.85229       21.03308 
1 1 1 -5  17 9  o 420.675 10.324 37.524  1.8392 36.671  2.6515  38.315  2.5534 415.539 15.067 424.825 14.192 -9.286224      20.69891 
1 1 1 -5  17 10 o 645.812 10.704 88.430  2.9274 90.665  4.1482  86.212  4.1318 653.511 14.989 637.224 15.311 16.28662       21.42637 
1 1 1 -5  17 11 o 442.409 11.816 41.502  2.2138 40.153  3.7137  42.245  2.7572 434.579 20.179 446.189 14.592 -11.60992      24.90206 
1 1 1 -5  17 12 o 864.528 17.109 158.673 6.2640 0.0000  0.0000  158.673 6.2640 ?       ?      864.528 17.109 0.000000       17.10904 
1 1 1 -5  17 13 o 1369.52 17.355 398.127 10.065 384.914 16.883  405.413 12.537 1343.43 29.675 1381.11 21.435 -37.67322      36.60685 
1 1 1 -5  17 14 o 1082.02 15.526 248.376 7.1142 246.497 11.730  249.470 8.9477 1076.12 25.739 1083.80 19.495 -7.677002      32.28879 
1 1 1 -5  17 15 o 593.558 11.838 74.686  2.9757 72.951  4.1937  76.446  4.2230 586.272 16.891 600.173 16.615 -13.90051      23.69310 
1 1 1 -5  17 16 f 463.405 13.044 45.540  2.5598 43.324  4.0740  46.985  3.2904 451.424 21.310 470.487 16.514 -19.06339      26.96010 
1 1 1 -5  17 17 o 209.783 15.538 9.3917  1.3706 8.3577  2.0630  10.209  1.8338 196.451 25.391 218.230 20.067 -21.77992      32.36298 
1 1 1 -5  17 18 o 361.543 14.509 27.742  2.2215 28.857  3.4798  26.974  2.8863 367.477 22.468 355.685 19.233 11.79138       29.57578 
1 1 1 -5  17 19 o 201.920 17.819 8.7325  1.5081 9.3951  2.2039  8.1490  2.0681 208.318 25.515 193.738 25.851 14.57951       36.32272 
1 1 1 -5  17 20 o 207.796 45.455 9.7268  3.8888 0.0000  0.0000  9.7268  3.8888 ?       ?      207.796 45.455 0.000000       45.45536 
1 1 1 -5  17 21 o 805.838 19.187 138.184 6.5480 139.303 9.2260  137.047 9.2948 807.151 26.991 800.463 27.419 6.687927       38.47483 
1 1 1 -5  17 22 o 620.650 19.041 82.033  5.0048 85.469  6.8788  78.167  7.2952 632.041 25.699 603.716 28.534 28.32513       38.40097 
1 1 1 -5  17 23 o 563.742 21.249 67.894  5.0729 0.0000  0.0000  67.894  5.0729 ?       ?      563.742 21.249 0.000000       21.24888 
1 1 1 -5  17 24 o 463.479 20.055 45.926  3.9363 43.801  5.1592  48.886  6.0893 450.047 27.197 474.303 30.477 -24.25580      40.84780 
1 1 1 -5  17 25 f 376.613 20.844 30.489  3.3116 33.999  4.3596  25.701  5.0916 396.113 26.136 340.641 35.832 55.47177       44.35128 
1 1 1 -5  17 26 o 432.782 17.434 40.047  3.1953 37.538  4.8155  42.021  4.2711 415.170 27.545 441.200 22.938 -26.02948      35.84530 
1 1 1 -5  17 27 o 178.237 20.453 6.9241  1.5159 9.4200  2.1073  4.2476  2.1823 207.110 24.501 135.672 36.972 71.43784       44.35387 
1 1 1 -5  17 28 o 161.041 24.667 5.7682  1.6287 6.5062  2.0549  4.5214  2.6709 169.580 29.696 139.046 41.898 30.53481       51.35431 
1 1 1 -5  17 29 o 348.943 21.010 26.478  3.0903 25.309  3.9988  28.212  4.8693 337.586 28.230 353.685 32.886 -16.09955      43.34075 
1 1 1 -5  17 30 o 117.960 28.866 3.2204  1.4302 3.5987  1.7541  2.4701  2.4703 123.880 32.887 109.852 40.404 14.02882       52.09624 
1 1 1 -5  17 31 f 309.374 29.727 21.656  3.8468 21.656  3.8468  0.0000  0.0000 309.374 29.727 ?       ?      0.000000       29.72744 
1 1 1 -5  18 1  o 345.130 18.365 25.433  2.6746 27.670  3.7613  23.145  3.8039 358.823 24.906 327.424 27.693 31.39896       37.24545 
1 1 1 -5  18 2  o 202.381 16.424 8.7687  1.3955 7.0960  2.3377  9.6947  1.7394 178.949 32.023 212.408 19.556 -33.45935      37.52227 
1 1 1 -5  18 3  o 248.418 17.691 13.202  1.8490 12.936  2.5461  13.498  2.6895 244.660 24.922 249.792 25.796 -5.131836      35.86773 
1 1 1 -5  18 4  o 563.104 16.382 67.443  3.9065 63.152  5.2345  72.838  5.8690 543.769 22.731 583.759 23.740 -39.98914      32.86788 
1 1 1 -5  18 5  o 275.543 16.186 16.200  1.8805 16.768  2.5662  15.541  2.7635 279.488 21.855 268.513 24.575 10.97485       32.88743 
1 1 1 -5  18 6  o 166.807 14.964 5.9593  1.0458 6.2358  1.8070  5.8200  1.2824 168.800 26.122 164.289 18.769 4.511261       32.16610 
1 1 1 -5  18 7  o 542.621 12.604 62.490  2.8964 64.417  5.3248  61.680  3.4517 549.469 22.883 538.820 15.127 10.64923       27.43116 
1 1 1 -5  18 8  o 287.374 12.512 17.523  1.5227 20.398  2.8014  16.317  1.8140 308.690 21.565 276.726 15.542 31.96423       26.58179 
1 1 1 -5  18 9  o 653.310 12.610 90.545  3.4887 91.108  6.2316  90.289  4.2103 654.001 22.500 652.102 15.246 1.899109       27.17876 
1 1 1 -5  18 10 o 815.078 13.241 140.931 4.5705 137.762 7.9412  142.501 5.5889 804.318 23.314 819.245 16.109 -14.92761      28.33807 
1 1 1 -5  18 11 o 568.126 12.176 68.439  2.9295 61.096  4.9541  72.387  3.6327 535.967 21.827 584.101 14.686 -48.13385      26.30739 
1 1 1 -5  18 12 o 354.279 10.742 26.603  1.6117 25.195  2.2707  28.033  2.2879 344.590 15.560 363.512 14.862 -18.92258      21.51762 
1 1 1 -5  18 13 o 599.467 11.257 76.171  2.8579 73.043  3.9851  79.484  4.1007 586.718 16.039 612.058 15.821 -25.33966      22.52847 
1 1 1 -5  18 14 o 793.111 12.151 133.354 4.0811 134.663 5.6830  131.960 5.8645 796.552 16.847 788.436 17.564 8.116150       24.33740 
1 1 1 -5  18 15 o 619.622 11.961 81.396  3.1387 85.937  4.4146  76.754  4.4635 636.330 16.382 601.268 17.529 35.06110       23.99239 
1 1 1 -5  18 16 o 619.561 13.516 81.419  3.5463 82.403  5.7101  80.801  4.5248 622.461 21.661 616.867 17.321 5.593750       27.73468 
1 1 1 -5  18 17 o 197.637 15.973 8.3465  1.3255 8.9635  2.0192  7.8793  1.7570 203.781 23.849 191.163 22.112 12.61853       32.52195 
1 1 1 -5  18 18 o 506.736 14.211 54.498  3.0497 53.924  4.8168  54.882  3.9400 503.176 22.604 508.131 18.310 -4.955261      29.08953 
1 1 1 -5  18 19 o 300.329 16.071 19.214  2.0366 21.195  3.0342  17.590  2.7476 314.542 22.936 286.403 22.843 28.13910       32.37080 
1 1 1 -5  18 20 o 752.014 27.583 120.925 8.7845 0.0000  0.0000  120.925 8.7845 ?       ?      752.014 27.583 0.000000       27.58329 
1 1 1 -5  18 21 o 848.381 19.597 153.232 7.0409 152.789 9.6892  153.727 10.249 845.083 27.074 847.181 28.567 -2.098816      39.35778 
1 1 1 -5  18 22 o 536.633 20.342 61.409  4.6228 0.0000  0.0000  61.409  4.6228 ?       ?      536.633 20.342 0.000000       20.34156 
1 1 1 -5  18 23 o 350.241 31.379 26.716  4.6049 0.0000  0.0000  26.716  4.6049 ?       ?      350.241 31.379 0.000000       31.37894 
1 1 1 -5  18 24 o 138.050 26.567 4.2402  1.4968 2.7667  1.9630  6.2869  2.3135 113.303 36.216 167.070 33.859 -53.76679      49.57826 
1 1 1 -5  18 25 o 314.264 18.029 21.179  2.3894 22.928  3.6441  19.861  3.1647 324.635 26.744 302.544 24.922 22.09070       36.55628 
1 1 1 -5  18 26 o 217.142 20.349 10.210  1.8494 10.699  2.7067  9.7815  2.5329 219.637 29.875 210.043 29.271 9.593643       41.82478 
1 1 1 -5  18 27 o 152.146 24.167 5.1382  1.5051 5.7569  2.0328  4.3876  2.2391 159.090 31.287 137.517 37.440 21.57301       48.79226 
1 1 1 -5  18 28 o 258.798 19.756 14.533  2.1488 16.010  3.0829  13.137  2.9968 268.795 27.468 242.255 29.841 26.54080       40.55886 
1 1 1 -5  18 29 o 270.732 21.798 16.032  2.4781 15.775  3.1789  16.429  3.9563 265.478 28.734 267.125 35.880 -1.646790      45.96738 
1 1 1 -5  18 30 o 135.690 34.494 4.3618  1.9865 4.3618  1.9865  0.0000  0.0000 135.690 34.494 ?       ?      0.000000       34.49444 
1 1 1 -5  18 31 o 284.169 22.104 17.775  2.6392 14.829  3.3443  22.640  4.2970 254.320 31.742 314.120 32.785 -59.80052      45.63369 
1 1 1 -5  19 1  o 434.608 14.535 40.122  2.6753 44.760  4.5470  37.667  3.3085 457.273 23.560 420.679 18.571 36.59409       29.99967 
1 1 1 -5  19 2  f 650.015 14.440 89.753  3.9751 85.562  6.6036  92.134  4.9780 632.736 24.644 658.026 17.863 -25.29004      30.43760 
1 1 1 -5  19 3  f 647.696 14.074 89.101  3.8604 86.811  6.3987  90.411  4.8406 637.543 23.699 651.894 17.534 -14.35114      29.48057 
1 1 1 -5  19 4  o 347.232 16.179 25.632  2.3791 23.445  3.1966  28.348  3.5620 330.642 22.972 363.673 23.250 -33.03079      32.68419 
1 1 1 -5  19 5  o 233.649 22.580 11.753  2.2064 11.753  2.2064  0.0000  0.0000 233.649 22.580 ?       ?      0.000000       22.58047 
1 1 1 -5  19 6  o 478.561 11.030 48.576  2.2355 42.705  3.1324  54.671  3.1914 448.241 16.501 507.346 14.854 -59.10507      22.20194 
1 1 1 -5  19 7  o 257.955 11.493 14.114  1.2555 15.112  1.7809  13.127  1.7703 266.251 15.866 247.952 16.961 18.29982       23.22532 
1 1 1 -5  19 8  o 292.743 10.938 18.172  1.3560 18.073  1.9631  18.262  1.8752 291.278 15.976 292.888 15.170 -1.610046      22.03106 
1 1 1 -5  19 9  o 288.788 10.696 17.681  1.3081 17.608  1.9044  17.746  1.7999 287.565 15.698 288.784 14.767 -1.218018      21.55166 
1 1 1 -5  19 10 o 517.827 10.417 56.837  2.2844 56.454  3.2437  57.214  3.2176 515.801 14.850 519.279 14.632 -3.477783      20.84694 
1 1 1 -5  19 11 o 389.039 10.406 32.078  1.7145 30.201  2.4008  34.032  2.4492 377.289 15.026 400.535 14.439 -23.24658      20.83902 
1 1 1 -5  19 12 o 277.258 11.169 16.294  1.3115 17.606  1.8453  14.955  1.8643 287.680 15.200 264.928 16.702 22.75220       22.58329 
1 1 1 -5  19 13 o 355.172 11.222 26.739  1.6879 27.097  2.3786  26.375  2.3958 357.368 15.717 352.561 16.046 4.807343       22.46066 
1 1 1 -5  19 14 o 1012.97 13.255 217.595 5.6860 214.761 7.9312  220.591 8.1561 1005.63 18.623 1019.14 18.897 -13.51337      26.53195 
1 1 1 -5  19 15 o 566.704 11.804 68.088  2.8329 69.416  3.9920  66.741  4.0208 571.862 16.484 560.696 16.933 11.16565       23.63147 
1 1 1 -5  19 16 o 577.161 12.108 70.638  2.9595 71.289  4.1913  69.990  4.1795 579.399 17.082 574.086 17.191 5.313354       24.23473 
1 1 1 -5  19 17 o 421.562 17.699 37.760  3.1597 0.0000  0.0000  37.760  3.1597 ?       ?      421.562 17.699 0.000000       17.69888 
1 1 1 -5  19 18 f 478.485 14.074 48.593  2.8518 48.306  4.4917  48.787  3.6913 476.224 22.272 479.060 18.195 -2.836395      28.75882 
1 1 1 -5  19 19 o 266.406 19.820 15.185  2.2201 14.242  2.6754  17.270  3.9782 257.164 24.877 281.561 34.056 -24.39655      42.17397 
1 1 1 -5  19 20 o 338.796 32.586 24.867  4.6177 0.0000  0.0000  24.867  4.6177 ?       ?      338.796 32.586 0.000000       32.58606 
1 1 1 -5  19 21 o 817.433 20.772 142.410 7.1907 0.0000  0.0000  142.410 7.1907 ?       ?      817.433 20.772 0.000000       20.77183 
1 1 1 -5  19 22 o 309.092 30.917 20.782  3.9927 0.0000  0.0000  20.782  3.9927 ?       ?      309.092 30.917 0.000000       30.91703 
1 1 1 -5  19 23 o 320.473 20.013 22.029  2.7025 22.357  3.5361  21.569  4.1904 321.401 26.208 314.000 31.958 7.400146       41.32993 
1 1 1 -5  19 24 o 206.264 22.149 9.2288  1.9044 9.3605  2.4683  9.0350  2.9936 206.015 29.102 200.116 36.676 5.898865       46.81903 
1 1 1 -5  19 25 o 669.585 17.084 95.786  4.8445 98.447  7.6863  94.033  6.2398 674.391 26.913 661.372 22.278 13.01917       34.93757 
1 1 1 -5  19 26 o 418.493 17.539 37.501  3.1084 37.144  4.7572  37.767  4.1062 412.385 27.396 417.591 23.312 -5.205902      35.97220 
1 1 1 -5  19 27 o 142.302 27.111 4.5655  1.5741 4.1871  2.2830  4.9084  2.1734 134.238 38.285 145.358 35.591 -11.11980      52.27320 
1 1 1 -5  19 28 f 113.405 27.454 2.9353  1.3044 2.9278  1.7833  2.9438  1.9128 113.381 34.251 114.058 35.663 -0.6771011     49.44681 
1 1 1 -5  19 29 o 471.158 18.050 47.928  3.6015 46.761  5.4009  48.862  4.8328 458.537 27.946 471.512 24.285 -12.97470      37.02373 
1 1 1 -5  19 30 o 297.645 28.203 19.934  3.5125 19.934  3.5125  0.0000  0.0000 297.645 28.203 ?       ?      0.000000       28.20267 
1 1 1 -5  20 1  o 168.627 19.209 6.1278  1.3473 7.3069  2.2218  5.4421  1.6943 182.411 29.791 157.526 26.326 24.88493       39.75617 
1 1 1 -5  20 2  o 316.048 14.583 21.212  1.9518 23.263  3.2877  20.096  2.4255 329.358 23.730 306.764 18.760 22.59406       30.25025 
1 1 1 -5  20 3  o 408.076 13.583 35.350  2.3474 37.763  3.8351  33.905  2.9683 420.416 21.614 399.308 17.553 21.10757       27.84361 
1 1 1 -5  20 4  o 255.290 14.142 13.879  1.5229 11.985  2.4512  15.070  1.9436 235.639 24.943 265.679 17.370 -30.03972      30.39509 
1 1 1 -5  20 5  o 477.530 16.488 48.456  3.3344 49.025  5.0848  48.028  4.4165 478.552 25.179 474.764 21.966 3.787445       33.41401 
1 1 1 -5  20 6  o 438.319 12.946 40.766  2.4030 39.469  2.9360  43.396  4.1825 431.052 16.083 451.372 21.881 -20.31985      27.15579 
1 1 1 -5  20 7  o 500.313 12.720 53.102  2.6951 52.820  3.2898  53.676  4.6995 498.752 15.576 502.066 22.103 -3.313965      27.03929 
1 1 1 -5  20 8  o 784.249 11.561 130.418 3.8396 134.879 5.4633  126.064 5.3974 797.006 16.186 770.474 16.542 26.53156       23.14371 
1 1 1 -5  20 9  o 942.807 12.267 188.493 4.8979 179.756 6.9693  197.018 6.8848 919.943 17.889 963.266 16.877 -43.32373      24.59392 
1 1 1 -5  20 10 o 783.465 11.447 130.126 3.7979 128.719 5.3860  131.517 5.3563 778.744 16.331 787.194 16.067 -8.449890      22.91008 
1 1 1 -5  20 11 o 665.156 11.031 93.779  3.1073 91.322  4.3575  96.321  4.4322 656.041 15.684 673.770 15.533 -17.72955      22.07419 
1 1 1 -5  20 12 o 487.921 12.781 50.477  2.6410 47.829  4.7609  51.654  3.1741 473.574 23.815 493.441 15.190 -19.86713      28.24638 
1 1 1 -5  20 13 o 741.641 11.754 116.602 3.6915 119.328 5.2013  113.836 5.2402 749.849 16.379 732.336 16.896 17.51343       23.53216 
1 1 1 -5  20 14 o 700.487 11.879 104.030 3.5240 98.912  4.8918  109.551 5.0811 682.600 16.922 718.396 16.701 -35.79547      23.77583 
1 1 1 -5  20 15 o 836.899 12.553 148.531 4.4491 142.766 6.2383  154.498 6.3470 819.850 17.968 852.927 17.572 -33.07648      25.13162 
1 1 1 -5  20 16 o 293.370 12.800 18.256  1.5903 16.611  2.2528  19.890  2.2453 278.889 19.191 305.500 17.427 -26.61017      25.92279 
1 1 1 -5  20 17 o 250.374 17.965 13.391  1.8922 12.107  2.3819  15.588  3.1152 237.126 24.052 268.735 27.774 -31.60928      36.74068 
1 1 1 -5  20 18 o 699.801 16.951 104.068 5.0236 102.290 6.9087  106.064 7.3176 692.644 23.553 705.103 24.506 -12.45935      33.98956 
1 1 1 -5  20 19 o 317.587 18.078 21.517  2.4213 20.681  3.0369  22.976  4.0116 310.568 23.259 326.295 29.345 -15.72699      37.44509 
1 1 1 -5  20 20 o 299.256 22.472 19.202  2.8271 0.0000  0.0000  19.202  2.8271 ?       ?      299.256 22.472 0.000000       22.47198 
1 1 1 -5  20 21 f 318.707 29.682 21.998  3.9601 0.0000  0.0000  21.998  3.9601 ?       ?      318.707 29.682 0.000000       29.68198 
1 1 1 -5  20 22 o 371.338 19.046 29.489  2.9851 26.751  3.8806  33.455  4.6718 352.058 26.216 393.355 28.233 -41.29688      38.52759 
1 1 1 -5  20 23 o 459.189 15.827 44.923  3.0777 48.284  4.9331  42.781  3.9381 473.367 24.694 447.113 20.798 26.25345       32.28529 
1 1 1 -5  20 24 o 474.159 19.797 48.140  3.9753 51.112  5.2219  44.044  6.1307 486.191 25.450 448.271 32.516 37.92068       41.29145 
1 1 1 -5  20 25 o 195.358 19.630 8.2612  1.6021 8.5823  2.2928  7.9548  2.2395 196.931 28.306 189.307 28.846 7.624908       40.41441 
1 1 1 -5  20 26 o 259.559 18.623 14.533  2.0335 16.694  3.0124  12.724  2.7562 275.956 26.086 240.091 27.610 35.86485       37.98460 
1 1 1 -5  20 27 o 335.477 18.473 24.294  2.6144 30.201  3.9239  19.578  3.5060 371.268 25.104 297.233 28.190 74.03488       37.74762 
1 1 1 -5  20 28 f 379.603 18.284 31.055  2.9394 33.894  4.4049  28.777  3.9465 391.913 26.699 361.390 25.960 30.52289       37.23910 
1 1 1 -5  20 29 o 219.342 26.038 10.756  2.3714 12.148  2.7988  7.2130  4.4650 231.788 29.158 167.602 54.713 64.18646       61.99736 
1 1 1 -5  20 30 o 170.176 28.945 6.6431  2.0113 5.9178  2.2644  9.3550  4.3785 157.904 34.800 188.683 52.746 -30.77962      63.19131 
1 1 1 -5  21 1  o 231.623 16.305 11.451  1.5892 10.756  2.5989  11.867  2.0084 222.621 28.199 235.289 20.356 -12.66779      34.77847 
1 1 1 -5  21 2  o 1380.87 18.303 405.392 10.703 400.472 18.065  408.053 13.287 1367.23 31.200 1383.91 22.670 -16.67993      38.56663 
1 1 1 -5  21 3  o 1349.62 17.743 387.162 10.141 372.748 17.106  394.974 12.593 1319.30 30.616 1361.83 21.835 -42.53149      37.60455 
1 1 1 -5  21 4  o 364.228 13.169 28.149  2.0313 21.884  3.3407  31.824  2.5586 319.353 24.898 387.111 15.607 -67.75732      29.38536 
1 1 1 -5  21 5  o 333.076 22.506 23.735  3.1560 0.0000  0.0000  23.735  3.1560 ?       ?      333.076 22.506 0.000000       22.50649 
1 1 1 -5  21 6  o 1019.45 14.817 220.596 6.3971 219.242 10.866  221.314 7.9138 1013.97 25.306 1020.46 18.312 -6.488525      31.23662 
1 1 1 -5  21 7  o 1459.47 15.514 452.152 9.5886 468.239 13.622  436.355 13.499 1483.44 21.684 1431.86 22.262 51.58386       31.07701 
1 1 1 -5  21 8  o 387.727 12.762 31.882  2.0956 32.129  2.5664  31.388  3.6300 389.076 15.576 383.432 22.453 5.643677       27.32627 
1 1 1 -5  21 9  o 198.333 14.737 8.3915  1.2289 7.4544  1.5281  10.107  2.0678 186.276 19.669 216.777 22.869 -30.50111      30.16389 
1 1 1 -5  21 10 o 415.193 12.406 36.550  2.1814 36.522  2.6853  36.603  3.7405 414.895 15.283 414.412 21.387 0.4836731      26.28588 
1 1 1 -5  21 11 o 348.712 15.217 25.798  2.2472 25.798  2.2472  0.0000  0.0000 348.712 15.217 ?       ?      0.000000       15.21695 
1 1 1 -5  21 12 o 336.361 12.946 23.991  1.8440 23.562  2.2524  24.861  3.2115 333.223 15.961 341.212 22.349 -7.988739      27.46288 
1 1 1 -5  21 13 o 929.429 14.438 183.249 5.6829 183.180 7.0130  183.379 9.6987 928.811 17.829 928.132 24.675 0.6782837      30.44242 
1 1 1 -5  21 14 o 391.914 13.367 32.578  2.2185 32.147  2.7032  33.466  3.8831 389.152 16.402 395.876 23.264 -6.723816      28.46520 
1 1 1 -5  21 15 o 528.317 13.812 59.218  3.0902 60.347  3.8309  57.113  5.2283 533.069 16.970 517.849 23.840 15.21967       29.26316 
1 1 1 -5  21 16 o 191.961 19.254 7.9128  1.5441 7.5087  1.9026  8.6925  2.6430 186.068 24.761 198.947 32.492 -12.87976      40.85096 
1 1 1 -5  21 17 o 674.156 16.424 96.552  4.6891 91.705  6.4443  102.006 6.8358 655.948 23.199 691.783 23.333 -35.83423      32.90313 
1 1 1 -5  21 18 o 362.088 18.626 27.959  2.8464 0.0000  0.0000  27.959  2.8464 ?       ?      362.088 18.626 0.000000       18.62566 
1 1 1 -5  21 19 o 179.117 43.140 7.2352  3.2334 0.0000  0.0000  7.2352  3.2334 ?       ?      179.117 43.140 0.000000       43.14027 
1 1 1 -5  21 20 o 396.063 28.778 33.797  4.7940 0.0000  0.0000  33.797  4.7940 ?       ?      396.063 28.778 0.000000       28.77826 
1 1 1 -5  21 21 o 534.007 18.216 60.743  4.1196 57.479  5.3435  65.526  6.4683 518.252 24.347 551.800 27.769 -33.54773      36.93027 
1 1 1 -5  21 22 o 308.724 16.602 20.363  2.1625 21.292  3.1709  19.555  2.9568 314.216 24.011 301.199 23.364 13.01633       33.50244 
1 1 1 -5  21 23 o 518.780 16.396 57.392  3.6021 51.909  5.5408  61.406  4.7405 489.806 26.814 535.434 20.906 -45.62732      34.00075 
1 1 1 -5  21 24 o 409.367 19.702 35.901  3.4156 37.012  4.4490  34.306  5.3304 413.286 25.545 395.207 32.127 18.07932       41.04455 
1 1 1 -5  21 25 o 333.391 17.174 23.837  2.4166 24.950  3.6257  22.947  3.2416 338.583 25.473 325.234 23.698 13.34836       34.79181 
1 1 1 -5  21 26 o 109.785 26.572 2.7310  1.2221 2.9310  1.6565  2.4921  1.8105 113.601 32.678 106.903 34.837 6.698296       47.76504 
1 1 1 -5  21 27 o 273.395 18.651 16.175  2.1465 19.079  3.2525  13.934  2.8571 293.995 26.405 250.518 27.376 43.47690       38.03518 
1 1 1 -5  21 28 o 196.410 21.757 8.4795  1.7793 11.255  2.5408  5.8088  2.4924 224.453 27.292 156.509 37.988 67.94385       46.77541 
1 1 1 -5  21 29 o 58.265  26.777 -0.9726 1.5125 -0.9474 1.6928  -1.0722 3.3672 62.554  28.592 90.318  40.907 -27.76388      49.90843 
1 1 1 -5  21 30 o 147.091 35.388 5.1717  2.1776 0.0000  0.0000  5.1717  2.1776 ?       ?      147.091 35.388 0.000000       35.38831 
1 1 1 -5  22 1  o 434.329 14.418 40.031  2.6520 39.926  4.3450  40.094  3.3479 432.298 23.826 434.387 18.199 -2.088867      29.98116 
1 1 1 -5  22 2  o 397.123 14.007 33.464  2.3557 31.288  3.8018  34.820  3.0013 382.544 23.583 404.851 17.505 -22.30679      29.36974 
1 1 1 -5  22 3  o 301.275 14.083 19.261  1.7968 18.825  2.9535  19.517  2.2639 296.334 23.734 302.566 17.746 -6.232452      29.63511 
1 1 1 -5  22 4  o 378.114 13.354 30.331  2.1384 28.671  3.4899  31.329  2.7059 366.289 22.609 384.082 16.636 -17.79276      28.06952 
1 1 1 -5  22 5  o 404.765 16.479 34.789  2.8247 31.948  4.4361  36.726  3.6634 385.998 27.314 415.009 20.911 -29.01099      34.39967 
1 1 1 -5  22 6  o 172.554 16.641 6.3803  1.2010 5.4081  1.9498  6.9746  1.5245 156.462 30.522 179.984 20.359 -23.52217      36.68899 
1 1 1 -5  22 7  o 596.887 12.815 75.557  3.2392 79.195  5.4967  73.622  4.0094 610.253 21.269 588.929 16.076 21.32367       26.66097 
1 1 1 -5  22 8  o 442.426 12.347 41.504  2.3134 38.143  3.9731  43.228  2.8455 422.899 22.263 451.381 14.886 -28.48193      26.78104 
1 1 1 -5  22 9  o 64.871  22.307 0.8122  0.7412 1.4954  1.0698  0.1815  1.0279 84.462  26.708 59.734  24.772 24.72803       36.42757 
1 1 1 -5  22 10 o 202.897 13.006 8.7651  1.1117 9.3990  1.7069  8.2982  1.4650 209.455 19.465 196.906 17.760 12.54921       26.34959 
1 1 1 -5  22 11 o 319.719 16.279 21.749  2.1968 21.749  2.1968  0.0000  0.0000 319.719 16.279 ?       ?      0.000000       16.27855 
1 1 1 -5  22 12 o 164.842 18.709 5.8450  1.2829 4.5385  1.5735  8.4363  2.2160 143.665 26.849 197.132 27.274 -53.46661      38.27219 
1 1 1 -5  22 13 o 557.354 13.135 65.883  3.1003 65.548  3.8414  66.508  5.2509 555.695 16.323 559.163 22.175 -3.468628      27.53466 
1 1 1 -5  22 14 o 415.194 13.444 36.568  2.3639 37.218  2.9151  35.319  4.0394 418.682 16.441 406.614 23.559 12.06790       28.72870 
1 1 1 -5  22 15 f 1067.80 13.779 241.933 6.2310 245.221 8.7721  238.585 8.8524 1073.96 19.287 1059.23 19.735 14.73059       27.59437 
1 1 1 -5  22 16 o 358.753 15.846 27.334  2.4075 19.032  5.1906  29.610  2.7175 293.688 43.009 373.289 17.190 -79.60147      46.31663 
1 1 1 -5  22 17 o 423.514 17.805 38.134  3.1934 0.0000  0.0000  38.134  3.1934 ?       ?      423.514 17.805 0.000000       17.80482 
1 1 1 -5  22 18 o 779.974 18.472 129.407 6.1017 0.0000  0.0000  129.407 6.1017 ?       ?      779.974 18.472 0.000000       18.47248 
1 1 1 -5  22 19 o 301.546 24.259 19.537  3.0717 19.537  3.0717  0.0000  0.0000 301.546 24.259 ?       ?      0.000000       24.25884 
1 1 1 -5  22 20 o 655.372 18.015 91.427  5.0000 88.353  6.4689  95.988  7.8803 643.018 23.755 669.099 27.811 -26.08118      36.57515 
1 1 1 -5  22 21 o 574.503 15.417 70.218  3.7509 64.207  5.8018  74.535  4.9167 547.260 25.034 591.033 19.643 -43.77332      31.82064 
1 1 1 -5  22 22 o 565.519 15.716 68.122  3.7639 64.578  5.7991  70.701  4.9477 548.144 24.982 574.984 20.319 -26.84045      32.20161 
1 1 1 -5  22 23 o 349.544 16.734 26.076  2.4771 27.054  3.6831  25.269  3.3471 353.571 24.754 342.092 23.242 11.47958       33.95493 
1 1 1 -5  22 24 o 419.939 19.667 37.802  3.4976 36.337  4.5035  40.028  5.5522 409.043 26.134 427.323 30.889 -18.28049      40.46130 
1 1 1 -5  22 25 o 182.213 19.452 7.2071  1.4778 8.4905  2.1374  6.0317  2.0454 196.078 26.413 163.506 30.667 32.57182       40.47311 
1 1 1 -5  22 26 f 175.422 21.060 6.7396  1.5333 6.0692  2.1487  7.4351  2.1886 162.854 32.296 181.704 29.450 -18.85020      43.70756 
1 1 1 -5  22 27 o 327.016 17.863 23.087  2.4644 23.023  3.6240  23.143  3.3613 322.756 26.755 324.633 24.633 -1.876923      36.36753 
1 1 1 -5  22 28 o 127.741 33.413 3.8211  1.8282 2.8534  2.1545  6.3097  3.4551 113.091 38.043 159.653 47.551 -46.56212      60.89631 
1 1 1 -5  22 29 o 106.526 27.885 2.6266  1.2727 3.8166  1.8448  1.5460  1.7580 126.928 33.741 90.697  33.945 36.23048       47.86112 
1 1 1 -5  22 30 o 121.007 41.180 3.4005  2.5247 0.0000  0.0000  3.4005  2.5247 ?       ?      121.007 41.180 0.000000       41.17983 
1 1 1 -5  23 1  o 609.396 14.385 78.789  3.7124 76.687  6.1416  80.000  4.6602 600.137 24.165 613.726 17.930 -13.58917      30.09032 
1 1 1 -5  23 2  o 1075.21 16.127 245.411 7.3434 249.478 12.297  243.157 9.1551 1081.68 26.844 1069.50 20.213 12.18530       33.60335 
1 1 1 -5  23 3  o 1164.89 16.449 288.086 8.1146 285.860 13.608  289.314 10.108 1157.57 27.759 1166.53 20.462 -8.957764      34.48559 
1 1 1 -5  23 4  o 542.848 11.870 62.483  2.7289 69.649  3.9093  55.672  3.8110 572.806 16.116 511.996 17.576 60.81033       23.84624 
1 1 1 -5  23 5  o 447.220 13.512 42.424  2.5592 39.895  4.9111  43.366  2.9984 431.747 26.995 452.026 15.663 -20.27966      31.21057 
1 1 1 -5  23 6  o 326.959 11.839 22.665  1.6392 21.490  2.4016  23.690  2.2429 317.604 17.929 334.099 15.852 -16.49429      23.93206 
1 1 1 -5  23 7  o 1038.77 13.059 228.831 5.7446 232.665 8.1766  225.093 8.0726 1046.65 18.447 1029.47 18.516 17.18384       26.13704 
1 1 1 -5  23 8  o 911.722 12.268 176.240 4.7367 173.712 6.7676  178.668 6.6320 904.525 17.667 917.422 17.070 -12.89655      24.56657 
1 1 1 -5  23 9  o 327.665 12.561 22.765  1.7430 22.927  2.9846  22.681  2.1473 327.689 21.629 326.946 15.508 0.7431641      26.61428 
1 1 1 -5  23 10 o 584.362 12.599 72.405  3.1180 78.061  5.5416  69.786  3.7716 605.955 21.595 573.491 15.529 32.46442       26.59885 
1 1 1 -5  23 11 o 740.740 13.316 116.366 4.1771 110.157 7.2634  119.433 5.1058 719.472 23.839 750.173 16.072 -30.70142      28.75044 
1 1 1 -5  23 12 o 450.749 13.332 43.092  2.5449 41.857  4.5747  43.646  3.0624 442.705 24.496 453.475 15.947 -10.77005      29.22955 
1 1 1 -5  23 13 o 665.642 13.862 93.999  3.9076 110.950 7.2204  86.978  4.6469 721.868 23.619 639.978 17.146 81.89044       29.18617 
1 1 1 -5  23 14 o 550.459 14.106 64.298  3.2883 61.243  6.1362  65.528  3.8948 535.002 27.172 555.479 16.557 -20.47662      31.81914 
1 1 1 -5  23 15 o 493.653 15.000 51.737  3.1358 51.906  6.2075  51.679  3.6336 491.645 29.957 493.153 17.398 -1.507751      34.64276 
1 1 1 -5  23 16 o 413.479 15.205 36.306  2.6624 35.625  5.6387  36.502  3.0203 406.096 33.075 414.422 17.210 -8.325348      37.28402 
1 1 1 -5  23 17 o 549.477 14.935 64.122  3.4754 63.881  4.2357  64.618  6.0796 548.043 18.250 549.920 26.106 -1.876831      31.85230 
1 1 1 -5  23 18 o 316.127 17.809 21.321  2.3745 22.797  3.1576  19.401  3.6023 326.123 23.011 299.646 28.740 26.47693       36.81672 
1 1 1 -5  23 19 o 137.384 29.224 4.1984  1.6480 5.1686  2.0113  2.2162  2.8748 152.261 32.198 115.585 43.379 36.67582       54.02225 
1 1 1 -5  23 20 f 271.327 16.337 15.719  1.8685 16.863  2.7337  14.716  2.5597 279.908 23.273 261.333 23.376 18.57541       32.98571 
1 1 1 -5  23 21 o 299.355 16.657 19.149  2.1034 18.764  3.0081  19.517  2.9422 294.816 24.310 300.946 23.266 -6.129822      33.64965 
1 1 1 -5  23 22 o 489.150 15.579 50.986  3.2272 51.940  4.8518  50.229  4.3218 491.789 23.296 484.239 21.075 7.550751       31.41419 
1 1 1 -5  23 23 o 395.500 16.383 33.389  2.7439 35.663  4.0655  31.486  3.7187 406.303 23.731 381.892 23.103 24.41132       33.11900 
1 1 1 -5  23 24 o 457.034 19.412 44.795  3.7572 46.841  4.8549  41.741  5.9326 464.905 24.748 435.216 32.420 29.68845       40.78652 
1 1 1 -5  23 25 o 574.218 16.419 70.592  3.9926 72.121  6.2269  69.525  5.2029 575.937 25.530 567.568 21.646 8.369385       33.47159 
1 1 1 -5  23 26 o 285.894 17.890 17.650  2.1550 21.862  3.2089  14.189  2.9086 315.888 24.171 252.753 27.623 63.13545       36.70482 
1 1 1 -5  23 27 o 193.162 26.404 8.3346  2.1033 6.0403  2.4596  14.578  4.0575 160.126 37.012 249.512 39.731 -89.38626      54.29981 
1 1 1 -5  23 28 o 243.653 23.634 13.137  2.4080 11.480  2.8925  16.878  4.3464 224.020 31.347 266.948 39.652 -42.92842      50.54597 
1 1 1 -5  23 29 o 241.361 37.067 13.791  3.6677 0.0000  0.0000  13.791  3.6677 ?       ?      241.361 37.067 0.000000       37.06728 
1 1 1 -5  24 1  o 586.592 17.368 73.054  4.3146 69.500  5.8700  77.231  6.3632 571.421 24.257 602.274 24.948 -30.85370      34.79686 
1 1 1 -5  24 2  f 845.904 14.908 151.818 5.3405 150.730 8.8776  152.435 6.6856 841.364 24.915 847.146 18.635 -5.781921      31.11358 
1 1 1 -5  24 3  f 750.746 14.130 119.559 4.4922 113.988 7.4082  122.799 5.6494 731.817 23.904 760.480 17.542 -28.66266      29.64967 
1 1 1 -5  24 4  o 476.628 11.810 48.163  2.3838 48.244  3.3959  48.085  3.3471 476.720 16.821 475.948 16.606 0.7721252      23.63678 
1 1 1 -5  24 5  o 408.439 14.133 35.386  2.4445 35.217  4.6238  35.452  2.8799 405.616 27.073 408.678 16.640 -3.062012      31.77802 
1 1 1 -5  24 6  o 494.525 11.411 51.842  2.3897 53.485  3.4625  50.349  3.3022 501.999 16.287 487.080 16.009 14.91940       22.83766 
1 1 1 -5  24 7  o 733.815 13.635 114.205 4.2373 113.886 5.1960  114.839 7.3215 732.489 16.750 734.677 23.532 -2.188049      28.88473 
1 1 1 -5  24 8  o 578.161 11.238 70.857  2.7515 69.982  3.9819  71.657  3.8064 574.228 16.374 581.133 15.467 -6.905090      22.52404 
1 1 1 -5  24 9  o 246.589 12.991 12.930  1.3518 12.214  2.0618  13.470  1.7903 238.850 20.584 251.343 16.919 -12.49263      26.64499 
1 1 1 -5  24 10 o 709.708 11.451 106.778 3.4418 106.571 4.9434  106.973 4.7948 708.576 16.474 709.964 15.947 -1.388733      22.92848 
1 1 1 -5  24 11 o 717.463 11.539 109.132 3.5060 106.345 4.9825  111.867 4.9343 707.766 16.623 725.972 16.049 -18.20636      23.10673 
1 1 1 -5  24 12 o 859.205 12.286 156.551 4.4706 157.595 6.3704  155.539 6.2755 861.407 17.463 855.792 17.316 5.615051       24.59224 
1 1 1 -5  24 13 o 138.949 18.478 4.1746  1.0603 3.2289  1.5488  5.0089  1.4547 120.571 30.353 151.618 23.410 -31.04726      38.33222 
1 1 1 -5  24 14 o 779.729 12.329 128.963 4.0711 128.948 5.7224  128.979 5.7929 779.013 17.346 779.074 17.558 -0.6103516E-01 24.68106 
1 1 1 -5  24 15 o 253.392 17.186 13.708  1.8333 15.885  2.3035  9.9464  3.0279 272.478 20.104 212.483 34.858 59.99474       40.23995 
1 1 1 -5  24 16 o 574.390 14.768 70.062  3.5924 66.462  4.3578  77.696  6.3462 558.992 18.409 603.282 24.840 -44.28986      30.91766 
1 1 1 -5  24 17 o 422.854 13.280 37.954  2.3782 37.725  3.4399  38.163  3.2915 421.009 19.294 423.550 18.350 -2.540649      26.62655 
1 1 1 -5  24 18 o 523.438 14.100 58.185  3.1255 56.387  4.9552  59.372  4.0277 514.092 22.760 528.270 18.004 -14.17841      29.01986 
1 1 1 -5  24 19 o 396.812 28.536 33.957  4.7634 0.0000  0.0000  33.957  4.7634 ?       ?      396.812 28.536 0.000000       28.53616 
1 1 1 -5  24 20 o 247.821 17.121 13.142  1.7858 13.689  2.6877  12.709  2.3896 251.369 25.606 242.546 23.561 8.823029       34.79638 
1 1 1 -5  24 21 o 267.373 16.786 15.299  1.8911 13.401  2.7406  17.024  2.6127 248.140 26.489 281.047 22.130 -32.90735      34.51735 
1 1 1 -5  24 22 o 355.036 15.931 26.882  2.3952 27.018  3.4774  26.760  3.3039 353.752 23.344 352.365 22.255 1.387207       32.25229 
1 1 1 -5  24 23 o 294.876 17.316 18.651  2.1529 17.705  3.1007  19.531  2.9917 284.995 25.976 300.126 23.731 -15.13095      35.18446 
1 1 1 -5  24 24 o 216.227 21.359 10.158  1.9303 10.283  2.4497  9.9529  3.1351 215.839 27.419 209.041 36.755 6.797913       45.85554 
1 1 1 -5  24 25 o 329.916 17.460 23.428  2.4308 24.488  3.5420  22.484  3.3420 334.432 25.194 320.540 24.813 13.89191       35.36136 
1 1 1 -5  24 26 o 187.874 19.714 7.7047  1.5452 8.5712  2.2198  6.8902  2.1521 195.641 27.556 174.062 30.296 21.57935       40.95358 
1 1 1 -5  24 27 o 74.516  29.468 0.7553  1.3775 0.7324  1.5171  0.8630  3.2878 76.663  30.725 103.386 43.683 -26.72292      53.40673 
1 1 1 -5  24 28 o 352.814 20.725 27.233  3.0830 24.610  3.9780  31.178  4.8785 330.501 28.707 370.111 31.422 -39.60980      42.56063 
1 1 1 -5  24 29 o 240.834 36.089 13.692  3.5674 0.0000  0.0000  13.692  3.5674 ?       ?      240.834 36.089 0.000000       36.08910 
1 1 1 -5  25 1  o 594.863 17.251 75.120  4.3459 74.046  5.9356  76.361  6.3805 589.922 23.759 598.895 25.157 -8.973450      34.60306 
1 1 1 -5  25 2  o 679.101 16.880 97.894  4.8545 92.968  6.6893  103.374 7.0561 660.979 23.897 696.989 23.906 -36.00995      33.80159 
1 1 1 -5  25 3  o 769.400 16.969 125.663 5.5291 119.609 7.6137  132.417 8.0427 749.705 23.981 788.808 24.076 -39.10327      33.98134 
1 1 1 -5  25 4  o 774.940 14.176 127.383 4.6523 132.651 5.8083  117.954 7.7708 790.457 17.351 744.390 24.650 46.06659       30.14457 
1 1 1 -5  25 5  o 648.799 17.259 89.364  4.7420 91.328  7.2226  87.875  6.2868 654.809 26.046 642.716 23.098 12.09277       34.81205 
1 1 1 -5  25 6  o 790.421 12.149 132.461 4.0665 132.461 5.8400  132.460 5.6658 789.883 17.459 789.942 16.936 -0.5926514E-01 24.32381 
1 1 1 -5  25 7  o 689.088 11.677 100.665 3.4076 102.147 4.8735  99.248  4.7665 693.721 16.589 683.816 16.460 9.905273       23.36874 
1 1 1 -5  25 8  o 605.851 11.273 77.810  2.8924 77.241  4.1632  78.342  4.0215 603.259 16.296 607.599 15.629 -4.340332      22.57895 
1 1 1 -5  25 9  o 371.443 11.648 29.250  1.8322 27.274  2.7167  30.900  2.4816 358.373 17.900 381.596 15.356 -23.22284      23.58440 
1 1 1 -5  25 10 o 1284.89 14.354 350.263 7.8105 360.314 11.111  340.446 10.981 1301.95 20.152 1265.47 20.491 36.48730       28.74017 
1 1 1 -5  25 11 o 251.818 15.547 13.511  1.6498 14.022  2.1055  12.697  2.6555 256.108 19.561 242.650 26.260 13.45726       32.74484 
1 1 1 -5  25 12 o 549.367 13.593 64.032  3.1625 60.705  3.8854  70.562  5.4435 534.592 17.162 575.737 22.326 -41.14478      28.16002 
1 1 1 -5  25 13 o 836.418 18.153 148.698 6.4299 151.542 9.2840  146.077 8.9139 842.699 26.015 827.506 25.436 15.19293       36.38361 
1 1 1 -5  25 14 o 249.245 15.723 13.247  1.6511 10.825  2.0756  17.420  2.7248 224.351 22.134 285.021 22.765 -60.66963      31.75149 
1 1 1 -5  25 15 o 617.204 12.334 80.825  3.2239 75.448  4.5696  86.153  4.5491 595.631 18.116 636.668 16.872 -41.03687      24.75566 
1 1 1 -5  25 16 o 395.347 14.106 33.187  2.3616 37.909  3.7619  30.116  3.0340 421.826 21.058 375.694 19.133 46.13187       28.45211 
1 1 1 -5  25 17 o 410.806 14.311 35.840  2.4897 37.706  3.9481  34.608  3.2081 419.907 22.282 403.253 18.785 16.65387       29.14387 
1 1 1 -5  25 18 o 429.499 14.634 39.192  2.6617 42.402  4.2514  37.122  3.4135 445.147 22.626 417.487 19.307 27.66040       29.74408 
1 1 1 -5  25 19 o 747.951 18.604 119.213 5.8929 0.0000  0.0000  119.213 5.8929 ?       ?      747.951 18.604 0.000000       18.60419 
1 1 1 -5  25 20 o 258.949 21.197 14.433  2.3042 15.089  2.8583  13.216  3.8938 263.767 25.924 242.959 39.176 20.80804       46.97650 
1 1 1 -5  25 21 o 248.150 16.854 13.196  1.7607 14.498  2.5326  11.979  2.4496 258.792 23.360 234.645 25.038 24.14775       34.24309 
1 1 1 -5  25 22 o 296.758 16.602 18.861  2.0780 18.099  2.9829  19.580  2.8965 288.711 24.632 300.863 22.905 -12.15222      33.63644 
1 1 1 -5  25 23 o 194.951 19.704 8.2336  1.6044 9.0818  2.2753  7.3946  2.2628 202.905 27.160 181.786 30.471 21.11844       40.81838 
1 1 1 -5  25 24 o 260.659 20.230 14.706  2.2156 13.042  2.7563  17.744  3.7246 243.215 27.228 282.295 31.703 -39.07997      41.79042 
1 1 1 -5  25 25 f 406.995 17.147 35.585  2.9554 35.360  4.3268  35.782  4.0465 401.459 25.583 404.847 23.705 -3.388153      34.87735 
1 1 1 -5  25 26 o 138.518 30.489 4.4199  1.7400 3.9577  1.9338  6.3859  3.9884 130.165 34.518 161.139 51.635 -30.97443      62.10944 
1 1 1 -5  25 27 o 227.149 21.519 11.336  2.0453 12.318  2.6668  9.9327  3.1874 234.340 27.389 204.854 38.144 29.48654       46.95852 
1 1 1 -5  25 28 o 172.878 38.526 7.2403  2.7485 0.0000  0.0000  7.2403  2.7485 ?       ?      172.878 38.526 0.000000       38.52623 
1 1 1 -5  25 29 o 139.872 25.832 4.4736  1.4738 3.5639  1.9440  5.7029  2.2600 122.150 35.478 154.183 35.364 -32.03259      50.09317 
1 1 1 -5  26 1  o 697.517 18.193 103.315 5.3739 0.0000  0.0000  103.315 5.3739 ?       ?      697.517 18.193 0.000000       18.19254 
1 1 1 -5  26 2  o 615.569 17.564 80.450  4.5786 0.0000  0.0000  80.450  4.5786 ?       ?      615.569 17.564 0.000000       17.56370 
1 1 1 -5  26 3  o 419.995 13.665 37.412  2.4305 34.193  3.9764  39.331  3.0709 400.196 23.566 430.454 16.846 -30.25839      28.96824 
1 1 1 -5  26 4  o 610.273 13.784 78.993  3.5624 76.960  4.4356  82.686  5.9792 602.073 17.397 623.497 22.645 -21.42371      28.55558 
1 1 1 -5  26 5  o 337.383 18.263 24.244  2.5997 23.672  3.8964  24.702  3.4900 332.055 27.969 339.797 24.416 -7.741455      37.12649 
1 1 1 -5  26 6  o 572.561 13.500 69.529  3.2733 66.902  4.0528  74.459  5.5515 561.366 17.048 591.694 22.155 -30.32819      27.95449 
1 1 1 -5  26 7  o 832.734 13.995 147.096 4.9352 145.334 6.1203  150.372 8.3449 827.320 17.468 840.603 23.441 -13.28278      29.23442 
1 1 1 -5  26 8  o 295.547 13.640 18.528  1.7072 19.637  2.1574  16.670  2.7924 303.662 16.842 278.828 23.879 24.83420       29.22073 
1 1 1 -5  26 9  o 561.310 13.414 66.832  3.1886 66.314  4.0202  67.709  5.2356 558.838 16.987 564.158 21.914 -5.320313      27.72713 
1 1 1 -5  26 10 o 248.457 15.759 13.157  1.6495 12.762  2.1999  13.663  2.4931 243.993 21.511 252.219 23.616 -8.226440      31.94390 
1 1 1 -5  26 11 o 337.096 13.836 24.111  1.9753 23.182  2.4903  25.687  3.2435 329.829 17.896 346.674 22.209 -16.84546      28.52206 
1 1 1 -5  26 12 o 643.714 11.776 87.882  3.2102 83.960  4.5941  91.624  4.4876 628.609 17.257 656.814 16.133 -28.20538      23.62420 
1 1 1 -5  26 13 o 478.348 13.120 48.554  2.6578 51.963  4.4920  46.718  3.2968 493.970 21.473 468.916 16.602 25.05426       27.14241 
1 1 1 -5  26 14 f 278.582 14.704 16.526  1.7286 15.347  2.7408  17.304  2.2274 267.069 24.506 284.620 18.581 -17.55099      30.75427 
1 1 1 -5  26 15 o 549.790 13.934 64.177  3.2442 57.392  5.2496  68.369  4.1264 518.558 23.905 567.065 17.183 -48.50659      29.43980 
1 1 1 -5  26 16 o 660.067 12.907 92.477  3.6079 94.954  5.1344  90.060  5.0708 668.069 18.148 650.582 18.405 17.48657       25.84709 
1 1 1 -5  26 17 o 591.558 12.925 74.288  3.2379 74.753  4.6419  73.848  4.5187 592.613 18.496 589.078 18.113 3.535034       25.88801 
1 1 1 -5  26 18 o 298.975 15.802 19.061  1.9936 21.659  3.1552  17.335  2.5721 317.439 23.640 284.192 21.531 33.24698       31.97585 
1 1 1 -5  26 19 o 336.858 20.626 24.327  2.9283 0.0000  0.0000  24.327  2.9283 ?       ?      336.858 20.626 0.000000       20.62634 
1 1 1 -5  26 20 o 379.452 15.048 30.659  2.4181 27.331  3.7984  32.928  3.1356 355.572 25.392 392.612 18.859 -37.04016      31.62902 
1 1 1 -5  26 21 o 875.486 15.785 163.464 5.8526 163.895 9.4468  163.196 7.4558 871.585 25.594 872.798 20.172 -1.213135      32.58725 
1 1 1 -5  26 22 o 235.611 17.785 11.941  1.7615 8.1290  2.5071  15.657  2.4754 190.364 32.251 268.976 21.923 -78.61203      38.99612 
1 1 1 -5  26 23 o 82.090  25.766 1.4511  0.9974 1.6171  1.2783  1.1927  1.5947 88.037  29.300 85.145  32.231 2.892067       43.55837 
1 1 1 -5  26 24 o 100.426 29.921 2.2571  1.3678 1.1531  1.7939  3.7905  2.1142 87.201  33.881 128.217 36.928 -41.01672      50.11603 
1 1 1 -5  26 25 o 204.303 25.777 9.2783  2.1806 8.4503  2.4669  12.237  4.6635 192.716 31.300 222.128 50.693 -29.41246      59.57742 
1 1 1 -5  26 26 o 270.815 21.192 16.023  2.4110 15.116  3.0742  17.473  3.8862 259.848 28.399 276.546 33.892 -16.69754      44.21729 
1 1 1 -5  26 27 o 93.656  36.040 1.5362  2.0146 0.0000  0.0000  1.5362  2.0146 ?       ?      93.656  36.040 0.000000       36.03950 
1 1 1 -5  26 28 o 325.498 17.911 23.054  2.4594 23.075  3.6355  23.037  3.3396 320.230 27.061 321.525 24.716 -1.295227      36.64959 
1 1 1 -5  27 1  o 923.390 25.622 181.614 10.019 181.614 10.019  0.0000  0.0000 923.390 25.622 ?       ?      0.000000       25.62176 
1 1 1 -5  27 2  o 594.792 25.525 75.352  6.4294 0.0000  0.0000  75.352  6.4294 ?       ?      594.792 25.525 0.000000       25.52458 
1 1 1 -5  27 3  o 629.266 14.682 84.011  3.9127 83.562  7.4310  84.183  4.6024 625.966 28.032 629.675 17.259 -3.708862      32.91912 
1 1 1 -5  27 4  o 528.754 14.435 59.313  3.2324 48.909  6.3472  62.956  3.7559 477.412 31.572 544.608 16.285 -67.19635      35.52443 
1 1 1 -5  27 5  o 481.417 14.126 49.165  2.8800 44.762  5.5359  50.799  3.3723 457.148 28.741 489.203 16.278 -32.05493      33.03052 
1 1 1 -5  27 6  o 460.241 17.482 44.982  3.4074 35.870  5.0597  52.545  4.6093 408.878 29.417 497.018 21.899 -88.14044      36.67316 
1 1 1 -5  27 7  o 265.091 14.476 14.955  1.6190 13.306  3.0727  15.588  1.9049 247.857 29.876 270.446 16.714 -22.58858      34.23320 
1 1 1 -5  27 8  f 205.013 16.445 8.9809  1.4157 11.671  2.8462  8.0964  1.6319 231.914 29.659 194.115 20.145 37.79921       35.85326 
1 1 1 -5  27 9  o 747.590 13.712 118.576 4.3411 122.243 7.8946  116.988 5.1974 757.401 24.613 742.232 16.535 15.16907       29.65129 
1 1 1 -5  27 10 o 392.013 13.357 32.604  2.2174 32.715  4.1651  32.560  2.6195 390.883 25.297 391.596 15.795 -0.7124023     29.82361 
1 1 1 -5  27 11 o 446.285 13.457 42.263  2.5433 40.492  4.5299  43.079  3.0733 435.052 24.689 450.362 16.114 -15.30991      29.48227 
1 1 1 -5  27 12 o 452.780 13.682 43.512  2.6236 45.851  4.5896  42.377  3.1975 463.154 23.476 446.559 16.908 16.59482       28.93099 
1 1 1 -5  27 13 o 440.746 16.440 41.281  3.0686 0.0000  0.0000  41.281  3.0686 ?       ?      440.746 16.440 0.000000       16.44004 
1 1 1 -5  27 14 o 744.370 12.458 117.580 3.9272 116.880 5.5830  118.267 5.5253 741.316 17.784 745.753 17.495 -4.437073      24.94684 
1 1 1 -5  27 15 f 428.494 12.759 38.970  2.3152 34.856  3.3121  42.901  3.2376 404.629 19.329 449.175 17.020 -44.54651      25.75441 
1 1 1 -5  27 16 o 750.852 13.040 119.685 4.1465 121.150 5.8959  118.252 5.8327 754.460 18.453 745.376 18.478 9.083435       26.11423 
1 1 1 -5  27 17 o 520.324 13.285 57.495  2.9274 57.129  4.2367  57.830  4.0496 517.819 19.320 521.146 18.349 -3.326538      26.64483 
1 1 1 -5  27 18 o 390.839 14.740 32.482  2.4397 32.761  3.8277  32.291  3.1661 390.622 23.243 389.117 19.213 1.505341       30.15648 
1 1 1 -5  27 19 o 297.537 21.183 19.034  2.6517 0.0000  0.0000  19.034  2.6517 ?       ?      297.537 21.183 0.000000       21.18317 
1 1 1 -5  27 20 o 475.989 14.682 48.257  2.9595 50.295  4.6142  46.833  3.8573 484.021 22.511 467.875 19.468 16.14597       29.76115 
1 1 1 -5  27 21 o 196.607 19.557 8.3615  1.6068 6.4872  2.3965  9.8920  2.1656 169.058 34.638 212.834 24.472 -43.77667      42.41083 
1 1 1 -5  27 22 f 149.464 22.832 4.9201  1.3993 5.1478  2.0747  4.7301  1.8953 150.260 33.463 144.283 31.869 5.976791       46.21064 
1 1 1 -5  27 23 o 58.728  25.604 -0.1852 1.1976 -0.2130 1.2844  0.0004  3.3156 60.598  26.465 98.990  42.882 -38.39204      50.39074 
1 1 1 -5  27 24 o 379.375 19.736 31.144  3.1599 35.236  3.8414  22.580  5.5569 402.250 22.642 310.164 43.502 92.08591       49.04206 
1 1 1 -5  27 25 o 283.651 20.450 17.519  2.4401 16.351  3.0785  19.494  4.0021 271.143 27.176 293.229 32.790 -22.08585      42.58736 
1 1 1 -5  27 26 o 180.365 39.694 7.8013  2.9497 0.0000  0.0000  7.8013  2.9497 ?       ?      180.365 39.694 0.000000       39.69447 
1 1 1 -5  27 27 o 112.264 26.319 2.9091  1.2295 4.2095  1.5275  0.5165  2.0720 135.068 27.636 82.727  34.801 52.34113       44.43921 
1 1 1 -5  27 28 o 285.293 18.155 17.753  2.1820 16.825  3.2347  18.528  2.9558 272.008 28.505 288.123 24.455 -16.11484      37.55755 
1 1 1 -5  28 1  o 584.344 14.266 72.444  3.5302 74.203  5.7473  71.379  4.4736 590.467 22.984 579.672 18.223 10.79523       29.33189 
1 1 1 -5  28 2  o 516.440 16.707 56.627  3.6540 56.504  4.8956  56.782  5.4903 515.322 22.433 516.272 25.112 -0.9500732     33.67234 
1 1 1 -5  28 3  o 420.890 14.232 37.584  2.5368 34.646  3.1009  43.529  4.4111 403.860 18.131 451.644 23.140 -47.78421      29.39714 
1 1 1 -5  28 4  o 611.122 12.052 79.194  3.1190 76.980  4.4790  81.277  4.3459 602.039 17.567 618.717 16.586 -16.67743      24.16025 
1 1 1 -5  28 5  f 409.695 12.374 35.596  2.1468 34.997  3.0868  36.157  2.9878 405.890 17.958 412.626 17.098 -6.736694      24.79600 
1 1 1 -5  28 6  o 398.463 14.476 33.691  2.4427 32.435  3.0368  35.995  4.1116 390.709 18.353 410.444 23.756 -19.73572      30.01998 
1 1 1 -5  28 7  o 559.612 11.478 66.403  2.7202 68.605  3.9244  64.367  3.7740 568.415 16.303 550.589 16.186 17.82520       22.97310 
1 1 1 -5  28 8  o 203.676 14.684 8.8502  1.2581 8.3002  1.8506  9.3227  1.7156 196.149 22.698 208.475 19.664 -12.32561      30.03070 
1 1 1 -5  28 9  o 580.838 11.661 71.548  2.8684 71.304  4.2092  71.761  3.9194 579.318 17.157 581.308 15.921 -1.990112      23.40581 
1 1 1 -5  28 10 o 405.704 11.704 34.910  2.0108 36.282  3.0281  33.828  2.6894 413.192 17.305 399.087 15.913 14.10486       23.50893 
1 1 1 -5  28 11 o 418.608 11.867 37.171  2.1037 34.569  3.0864  39.430  2.8750 403.211 18.075 430.840 15.757 -27.62900      23.97885 
1 1 1 -5  28 12 o 143.009 22.226 4.4605  1.3023 2.9589  1.9809  5.6038  1.7284 117.252 36.231 159.871 26.454 -42.61866      44.86124 
1 1 1 -5  28 13 o 604.950 12.072 77.651  3.0927 79.205  4.5217  76.285  4.2394 610.282 17.495 599.043 16.711 11.23981       24.19407 
1 1 1 -5  28 14 o 314.282 13.424 20.970  1.7867 19.278  2.5673  22.559  2.4880 300.151 20.317 325.120 18.143 -24.96884      27.23865 
1 1 1 -5  28 15 o 334.946 16.905 23.919  2.3902 22.119  5.1653  24.409  2.6963 317.264 39.284 338.085 18.908 -20.82071      43.59781 
1 1 1 -5  28 16 o 428.496 13.652 38.997  2.4774 41.028  3.5664  37.103  3.4438 438.866 19.189 417.305 19.487 21.56128       27.34904 
1 1 1 -5  28 17 o 508.957 15.277 55.088  3.2928 52.415  4.0455  60.336  5.6682 495.824 19.266 530.671 25.222 -34.84769      31.73843 
1 1 1 -5  28 18 o 765.072 15.533 124.603 5.0328 126.653 6.3046  121.002 8.3563 770.220 19.328 750.230 26.301 19.98938       32.63945 
1 1 1 -5  28 19 o 199.513 18.665 8.5774  1.5587 9.8283  2.5562  7.8369  1.9667 211.198 29.375 189.250 25.163 21.94821       38.67921 
1 1 1 -5  28 20 o 91.393  28.819 1.7955  1.2463 1.5582  2.0404  1.9366  1.5740 96.637  36.487 96.774  32.516 -0.1363602     48.87358 
1 1 1 -5  28 21 o 215.589 17.992 10.016  1.6277 11.087  2.5866  9.3134  2.0943 224.341 27.823 206.301 24.447 18.03983       37.03785 
1 1 1 -5  28 22 o 210.524 22.872 9.6750  2.0064 9.6746  2.4939  9.6759  3.3779 208.665 29.007 204.494 40.438 4.170975       49.76577 
1 1 1 -5  28 23 o 86.009  30.070 1.4787  1.3495 0.7594  1.4841  4.9127  3.2428 76.913  30.533 145.288 46.559 -68.37528      55.67789 
1 1 1 -5  28 24 o 271.189 19.739 15.980  2.2513 13.957  2.8454  19.366  3.6814 250.438 27.270 294.043 29.983 -43.60591      40.52954 
1 1 1 -5  28 25 o 143.741 40.907 4.9547  2.6092 0.0000  0.0000  4.9547  2.6092 ?       ?      143.741 40.907 0.000000       40.90657 
1 1 1 -5  28 26 o 173.785 23.680 6.7468  1.6974 4.2412  2.2363  10.152  2.6070 133.020 37.876 210.825 30.050 -77.80569      48.34841 
1 1 1 -5  28 27 o 221.134 19.334 10.733  1.7924 13.195  2.5903  8.4708  2.4828 242.293 25.633 190.538 31.897 51.75499       40.92039 
1 1 1 -5  28 28 o 104.000 29.663 2.5253  1.3705 0.3086  1.9236  4.8102  1.9530 77.886  33.182 142.002 33.089 -64.11513      46.86047 
1 1 1 -5  29 1  o 394.039 14.455 32.949  2.4121 33.920  3.8759  32.335  3.0815 398.473 23.067 390.069 18.654 8.404419       29.66599 
1 1 1 -5  29 2  f 177.444 18.378 6.7616  1.3610 2.7363  2.1565  9.4265  1.7546 115.366 38.041 209.613 20.009 -94.24695      42.98215 
1 1 1 -5  29 3  f 163.077 17.613 5.7148  1.1971 4.9416  1.7789  6.3547  1.6183 149.591 29.129 171.275 22.883 -21.68359      37.04214 
1 1 1 -5  29 4  o 474.259 14.123 47.727  2.8366 44.831  3.4766  53.495  4.9061 459.351 17.872 501.210 23.114 -41.85913      29.21713 
1 1 1 -5  29 5  o 695.251 14.580 102.587 4.2928 102.437 5.3179  102.868 7.2733 694.314 18.086 694.709 24.722 -0.3950195     30.63136 
1 1 1 -5  29 6  o 445.612 17.276 42.186  3.2603 42.186  3.2603  0.0000  0.0000 445.612 17.276 ?       ?      0.000000       17.27644 
1 1 1 -5  29 7  o 957.979 12.934 194.697 5.2473 188.759 7.5021  200.385 7.3423 942.251 18.801 971.028 17.855 -28.77716      25.92784 
1 1 1 -5  29 8  o 140.843 20.093 4.3046  1.1645 3.3268  1.7332  5.1093  1.5723 122.454 32.775 152.793 25.175 -30.33833      41.32767 
1 1 1 -5  29 9  o 679.148 12.027 97.843  3.4590 95.403  5.0461  100.005 4.7509 669.909 17.787 686.086 16.351 -16.17645      24.16051 
1 1 1 -5  29 10 o 232.926 14.554 11.565  1.4284 9.0147  2.3524  13.054  1.7977 203.432 28.052 247.210 17.280 -43.77829      32.94737 
1 1 1 -5  29 11 o 227.134 14.986 11.005  1.4334 10.941  2.2462  11.049  1.8618 225.191 23.919 227.006 19.558 -1.814850      30.89719 
1 1 1 -5  29 12 o 421.870 12.462 37.769  2.2264 34.991  3.2627  40.191  3.0458 405.458 19.002 434.814 16.541 -29.35599      25.19246 
1 1 1 -5  29 13 o 83.577  27.772 1.4188  1.1485 -0.3152 2.0828  2.1764  1.3768 77.893  33.865 100.199 30.056 -22.30618      45.27902 
1 1 1 -5  29 14 o 428.723 13.907 39.035  2.5249 43.997  4.2154  36.259  3.1531 454.162 21.917 412.779 18.038 41.38315       28.38511 
1 1 1 -5  29 15 o 151.522 21.564 4.9941  1.3447 6.7399  1.9432  3.3900  1.8627 175.403 27.028 123.518 34.358 51.88446       43.71503 
1 1 1 -5  29 16 o 537.677 13.190 61.408  3.0035 58.484  4.3242  64.133  4.1748 523.745 19.496 548.742 17.965 -24.99689      26.51090 
1 1 1 -5  29 17 o 194.361 18.937 8.1344  1.5389 9.6375  2.3240  6.9607  2.0536 210.149 26.718 177.738 28.227 32.41121       38.86607 
1 1 1 -5  29 18 o 218.050 21.483 10.279  1.9580 12.546  2.4614  6.3716  3.2312 240.421 24.518 166.449 44.835 73.97165       51.10123 
1 1 1 -5  29 19 o 130.694 26.315 3.8151  1.4061 3.3078  2.3199  4.1096  1.7678 123.052 39.375 134.791 31.530 -11.73926      50.44349 
1 1 1 -5  29 20 o 501.217 17.866 53.750  3.7923 54.963  5.0233  52.144  5.7829 504.938 23.491 489.249 28.027 15.68857       36.57001 
1 1 1 -5  29 21 o 589.071 17.579 74.299  4.3854 76.588  5.8209  71.296  6.6691 595.695 23.074 572.466 27.509 23.22882       35.90477 
1 1 1 -5  29 22 o 369.755 19.217 29.471  2.9988 31.309  3.7932  26.408  4.8971 379.407 23.727 343.468 34.119 35.93942       41.55846 
1 1 1 -5  29 23 o 93.048  32.794 1.7489  1.6070 0.0000  0.0000  1.7489  1.6070 ?       ?      93.048  32.794 0.000000       32.79440 
1 1 1 -5  29 24 o 132.177 35.986 4.1099  2.0686 0.0000  0.0000  4.1099  2.0686 ?       ?      132.177 35.986 0.000000       35.98645 
1 1 1 -5  29 25 o 354.544 17.214 27.116  2.5846 25.301  3.7189  28.812  3.5947 337.517 26.224 361.866 23.586 -24.34918      35.27016 
1 1 1 -5  29 26 o 161.732 22.768 5.8514  1.5163 5.4366  2.1739  6.2443  2.1159 150.941 34.731 163.400 31.721 -12.45992      47.03635 
1 1 1 -5  29 27 o 155.305 22.545 5.4157  1.4394 8.0487  2.0069  2.6261  2.0657 188.404 25.833 107.777 37.231 80.62627       45.31526 
1 1 1 -5  30 1  o 352.271 14.980 26.344  2.2347 28.159  3.5718  25.177  2.8647 362.795 23.372 343.488 19.777 19.30756       30.61671 
1 1 1 -5  30 2  o 260.197 15.973 14.431  1.7515 13.386  2.7633  15.133  2.2645 249.037 26.614 265.953 20.259 -16.91592      33.44691 
1 1 1 -5  30 3  o 325.875 13.967 22.537  1.9275 24.947  3.1907  21.152  2.4188 341.570 22.178 314.934 18.214 26.63629       28.69827 
1 1 1 -5  30 4  o 573.738 13.652 69.853  3.3171 68.716  5.5044  70.501  4.1566 567.935 22.886 576.046 17.039 -8.111389      28.53199 
1 1 1 -5  30 5  o 456.345 12.771 44.182  2.4681 47.331  3.5668  41.289  3.4186 471.892 17.848 440.703 18.317 31.18915       25.57508 
1 1 1 -5  30 6  o 724.833 26.705 112.215 8.1975 112.215 8.1975  0.0000  0.0000 724.833 26.705 ?       ?      0.000000       26.70539 
1 1 1 -5  30 7  o 520.513 13.837 57.508  3.0501 58.114  3.7728  56.363  5.1820 522.926 17.037 514.098 23.802 8.827881       29.27067 
1 1 1 -5  30 8  o 140.576 23.797 4.3296  1.3661 2.6799  1.7361  7.0124  2.2140 111.352 33.830 178.512 30.374 -67.15966      45.46440 
1 1 1 -5  30 9  o 732.269 14.306 113.857 4.4364 113.505 5.5674  114.471 7.3429 730.545 17.995 732.478 23.672 -1.932678      29.73517 
1 1 1 -5  30 10 o 401.309 12.357 34.175  2.1001 34.432  3.2467  33.990  2.7537 402.221 19.061 399.907 16.260 2.313782       25.05365 
1 1 1 -5  30 11 o 394.568 12.317 33.039  2.0581 37.424  3.1384  29.730  2.7260 419.448 17.668 373.891 17.216 45.55661       24.66894 
1 1 1 -5  30 12 o 382.216 13.230 31.016  2.1414 31.849  3.1646  30.312  2.9085 386.738 19.322 377.409 18.197 9.329193       26.54247 
1 1 1 -5  30 13 o 454.604 12.869 43.873  2.4776 43.873  3.7944  43.873  3.2713 453.813 19.744 454.170 17.008 -0.3566895     26.05931 
1 1 1 -5  30 14 o 226.486 15.879 10.959  1.5134 9.1577  2.2352  12.485  2.0565 205.179 26.332 241.164 20.326 -35.98494      33.26416 
1 1 1 -5  30 15 o 178.460 19.065 6.8632  1.4185 7.8488  2.0775  6.0024  1.9416 189.550 26.614 164.835 28.866 24.71529       39.26237 
1 1 1 -5  30 16 o 340.163 14.536 24.608  2.0940 23.878  3.0717  25.242  2.8621 333.470 21.872 343.327 19.768 -9.856964      29.48203 
1 1 1 -5  30 17 o 437.405 16.210 40.769  3.0027 41.519  3.7251  39.378  5.0739 440.690 19.960 426.260 28.268 14.42990       34.60473 
1 1 1 -5  30 18 o 208.538 22.007 9.4324  1.9142 11.514  2.3197  4.9904  3.3888 230.110 24.165 149.276 47.570 80.83438       53.35625 
1 1 1 -5  30 19 o 346.444 29.274 26.279  4.2547 0.0000  0.0000  26.279  4.2547 ?       ?      346.444 29.274 0.000000       29.27365 
1 1 1 -5  30 20 o 483.665 17.884 50.095  3.6632 55.382  4.9040  43.422  5.5098 506.752 22.851 445.204 29.389 61.54776       37.22734 
1 1 1 -5  30 21 o 353.031 28.030 27.362  4.1562 0.0000  0.0000  27.362  4.1562 ?       ?      353.031 28.030 0.000000       28.03031 
1 1 1 -5  30 22 o 483.120 28.615 51.484  5.8284 0.0000  0.0000  51.484  5.8284 ?       ?      483.120 28.615 0.000000       28.61494 
1 1 1 -5  30 23 o 180.604 28.655 7.3745  2.1184 0.0000  0.0000  7.3745  2.1184 ?       ?      180.604 28.655 0.000000       28.65475 
1 1 1 -5  30 24 o 139.179 21.714 4.3103  1.2381 5.8954  1.8065  2.9063  1.7001 161.258 27.436 112.229 33.340 49.02888       43.17689 
1 1 1 -5  30 25 o 278.759 17.076 16.847  2.0062 20.642  2.9522  13.590  2.7346 305.896 22.956 246.102 26.665 59.79434       35.18545 
1 1 1 -5  30 26 o 171.314 21.649 6.5385  1.5356 7.8729  2.1789  5.2217  2.1644 185.008 28.742 147.219 35.194 37.78905       45.43932 
1 1 1 -5  30 27 o 157.633 24.776 5.6458  1.5994 5.0803  2.2606  6.2127  2.2632 144.147 36.880 161.005 34.245 -16.85785      50.32778 
1 1 1 -5  31 1  o 566.146 14.322 68.045  3.4338 69.146  5.5005  67.342  4.3956 569.579 22.804 562.734 18.445 6.844666       29.32945 
1 1 1 -5  31 2  o 537.156 12.603 61.219  2.8668 55.967  4.1067  66.210  4.0038 512.959 18.905 558.177 16.938 -45.21838      25.38274 
1 1 1 -5  31 3  o 492.038 12.325 51.363  2.5682 51.076  3.7275  51.622  3.5434 490.134 17.958 492.853 16.977 -2.719360      24.71252 
1 1 1 -5  31 4  o 476.334 12.970 48.148  2.6164 48.929  3.8339  47.467  3.5794 479.606 18.876 472.495 17.888 7.110413       26.00588 
1 1 1 -5  31 5  o 161.426 23.591 5.6724  1.5652 5.5802  2.6941  5.7194  1.9230 157.695 40.216 161.028 29.277 -3.333145      49.74427 
1 1 1 -5  31 6  o 1054.18 26.681 237.546 11.911 0.0000  0.0000  237.546 11.911 ?       ?      1054.18 26.681 0.000000       26.68120 
1 1 1 -5  31 7  o 154.077 19.698 5.1345  1.2559 1.6463  2.1622  6.9106  1.5428 100.431 37.634 178.950 20.743 -78.51859      42.97204 
1 1 1 -5  31 8  o 254.469 14.145 13.792  1.5183 13.874  2.2064  13.719  2.0925 254.384 20.659 253.096 19.678 1.287766       28.53111 
1 1 1 -5  31 9  o 224.284 19.959 10.797  1.8760 15.858  2.6178  5.4529  2.6897 271.675 22.968 155.751 40.426 115.9246       46.49501 
1 1 1 -5  31 10 o 72.636  29.571 0.4438  1.4299 2.7471  2.1828  -1.2873 1.8924 115.361 38.284 65.871  30.153 49.48970       48.73298 
1 1 1 -5  31 11 o 150.911 25.491 5.0009  1.5711 5.3702  2.3158  4.6860  2.1385 154.699 36.020 144.557 35.249 10.14186       50.39825 
1 1 1 -5  31 12 o 306.084 16.998 19.989  2.1947 19.398  2.7972  20.937  3.5397 300.712 22.121 311.499 27.103 -10.78699      34.98395 
1 1 1 -5  31 13 o 580.299 14.809 71.565  3.6394 76.172  4.6002  63.855  5.9504 598.142 18.161 546.153 25.727 51.98871       31.49092 
1 1 1 -5  31 14 o 372.712 15.498 29.542  2.4461 29.517  3.0524  29.586  4.0894 371.598 19.465 370.611 26.225 0.9867249      32.65893 
1 1 1 -5  31 15 o 363.585 15.998 28.138  2.4632 27.185  3.0162  30.046  4.2681 356.292 20.072 372.928 27.213 -16.63654      33.81467 
1 1 1 -5  31 16 o 224.865 21.463 10.919  2.0191 12.984  2.4634  6.6908  3.5245 244.820 24.071 170.553 47.198 74.26700       52.98143 
1 1 1 -5  31 17 o 315.811 18.104 21.377  2.4112 25.473  2.9793  13.602  4.1049 344.261 20.529 244.988 41.015 99.27327       45.86602 
1 1 1 -5  31 18 o 345.031 24.800 25.816  3.5996 30.505  6.4024  23.648  4.3526 367.660 41.867 327.677 31.765 39.98300       52.55327 
1 1 1 -5  31 19 o 171.420 25.545 6.4921  1.7978 0.0000  0.0000  6.4921  1.7978 ?       ?      171.420 25.545 0.000000       25.54544 
1 1 1 -5  31 20 o 203.837 32.453 9.3488  2.7075 0.0000  0.0000  9.3488  2.7075 ?       ?      203.837 32.453 0.000000       32.45284 
1 1 1 -5  31 21 o 302.496 28.594 20.230  3.6196 0.0000  0.0000  20.230  3.6196 ?       ?      302.496 28.594 0.000000       28.59424 
1 1 1 -5  31 22 o 190.249 20.055 7.9085  1.5915 9.6907  2.5019  6.6972  2.0626 207.496 29.286 171.847 29.398 35.64850       41.49614 
1 1 1 -5  31 23 o 203.251 16.966 8.9568  1.4470 8.6774  2.0626  9.2275  2.0304 197.276 25.270 204.023 23.956 -6.746750      34.82018 
1 1 1 -5  31 24 o 486.515 15.185 50.875  3.1286 44.547  4.7710  55.649  4.1439 448.821 25.203 506.507 19.319 -57.68594      31.75543 
1 1 1 -5  31 25 o 176.908 19.359 6.8912  1.4267 7.9140  2.1724  6.1154  1.8919 185.867 28.509 162.996 28.443 22.87065       40.27103 
1 1 1 -5  31 26 o 115.747 28.241 3.1401  1.3720 1.7552  1.9125  4.6085  1.9694 94.429  35.393 138.401 33.875 -43.97139      48.99146 
1 1 1 -5  32 1  o 324.367 15.317 22.350  2.1040 21.813  3.3727  22.692  2.6921 318.606 25.202 325.928 19.595 -7.322388      31.92342 
1 1 1 -5  32 2  o 353.933 13.403 26.590  2.0089 28.350  2.9318  25.033  2.7581 364.508 19.058 342.452 19.094 22.05640       26.97808 
1 1 1 -5  32 3  o 439.554 12.726 41.002  2.3689 41.725  3.4439  40.353  3.2635 442.877 18.362 435.607 17.691 7.270416       25.49775 
1 1 1 -5  32 4  o 456.562 15.497 44.286  2.9964 45.919  5.9660  43.735  3.4651 461.681 30.689 453.444 18.045 8.236664       35.60069 
1 1 1 -5  32 5  o 338.116 13.763 24.272  1.9707 22.153  2.8695  26.164  2.7111 321.749 21.178 350.206 18.344 -28.45731      28.01823 
1 1 1 -5  32 6  o 545.328 17.772 63.257  4.1044 69.930  6.5416  58.924  5.2709 571.673 27.020 525.396 23.690 46.27710       35.93467 
1 1 1 -5  32 7  o 327.484 14.230 22.777  1.9735 16.938  3.3530  25.872  2.4411 279.715 28.713 348.842 16.524 -69.12756      33.12863 
1 1 1 -5  32 8  f 507.676 13.704 54.730  2.9463 45.050  5.0375  59.762  3.6323 458.180 26.070 530.208 16.177 -72.02872      30.68090 
1 1 1 -5  32 9  o 475.033 14.144 47.930  2.8454 53.053  5.3524  45.912  3.3595 497.412 25.495 464.595 17.075 32.81674       30.68445 
1 1 1 -5  32 10 o 537.170 13.806 61.284  3.1406 61.599  5.9060  61.160  3.7084 536.500 25.994 536.304 16.328 0.1957397      30.69719 
1 1 1 -5  32 11 o 640.583 14.032 87.167  3.8066 87.905  7.0980  86.869  4.5101 640.763 26.157 639.069 16.665 1.694031       31.01475 
1 1 1 -5  32 12 o 492.060 14.735 51.458  3.0705 53.853  5.7180  50.487  3.6398 500.492 27.078 487.009 17.648 13.48355       32.32161 
1 1 1 -5  32 13 o 403.685 15.399 34.656  2.6326 41.454  5.4090  32.546  3.0136 438.084 29.324 390.866 18.206 47.21802       34.51638 
1 1 1 -5  32 14 o 361.512 15.959 27.818  2.4433 24.171  5.5157  28.709  2.7253 330.197 40.279 367.054 17.532 -36.85733      43.92944 
1 1 1 -5  32 15 o 481.220 15.552 49.315  3.1694 43.104  6.7486  51.072  3.5900 442.992 36.292 489.384 17.322 -46.39221      40.21344 
1 1 1 -5  32 16 o 147.741 27.264 4.8563  1.6430 0.5249  4.4791  5.5297  1.7661 118.803 50.624 157.856 27.412 -39.05293      57.56896 
1 1 1 -5  32 17 o 208.849 25.008 9.5395  2.1678 0.0000  0.0000  9.5395  2.1678 ?       ?      208.849 25.008 0.000000       25.00774 
1 1 1 -5  32 18 o 221.751 29.163 10.883  2.6722 18.363  5.6773  8.7537  3.0287 279.600 49.772 195.610 37.930 83.98940       62.57734 
1 1 1 -5  32 19 o 248.283 29.863 13.663  3.0769 0.0000  0.0000  13.663  3.0769 ?       ?      248.283 29.863 0.000000       29.86260 
1 1 1 -5  32 20 o 195.783 19.654 8.3272  1.6075 8.7383  2.6038  8.0739  2.0435 196.582 32.406 190.981 25.938 5.601089       41.50762 
1 1 1 -5  32 21 o 143.886 24.075 4.6218  1.4152 6.6218  2.2464  3.3059  1.8222 169.973 32.391 119.793 34.217 50.17959       47.11679 
1 1 1 -5  32 22 o 94.550  27.919 2.0185  1.1951 1.8751  1.9449  2.1054  1.5148 97.933  35.876 97.793  31.865 0.1400986      47.98442 
1 1 1 -5  32 23 o 188.677 17.482 7.7459  1.3810 6.5440  1.9960  8.8494  1.9127 169.367 28.864 199.912 23.012 -30.54491      36.91419 
1 1 1 -5  32 24 o 342.935 15.703 25.346  2.2806 28.894  3.4093  22.473  3.0681 362.314 22.329 319.083 22.856 43.23120       31.95280 
1 1 1 -5  32 25 o 136.575 22.067 4.2008  1.2328 2.6769  1.7399  5.7374  1.7471 107.135 34.080 157.998 27.085 -50.86210      43.53202 
1 1 1 -5  32 26 o 180.360 20.429 7.2218  1.5329 6.8028  2.1617  7.6455  2.1739 170.024 31.171 181.489 29.281 -11.46492      42.76685 
1 1 1 -5  33 1  o 479.078 14.204 48.744  2.8818 53.975  4.6423  45.465  3.6759 503.113 21.788 462.166 18.781 40.94720       28.76546 
1 1 1 -5  33 2  o 463.879 12.978 45.678  2.5495 46.606  3.7279  44.863  3.4944 467.926 18.812 459.195 17.969 8.730530       26.01531 
1 1 1 -5  33 3  o 427.942 13.214 38.879  2.3948 39.655  3.4327  38.143  3.3426 431.620 18.780 423.329 18.645 8.291443       26.46320 
1 1 1 -5  33 4  o 230.223 17.986 11.345  1.7397 10.920  2.4809  11.757  2.4402 224.380 26.628 233.219 25.103 -8.839249      36.59495 
1 1 1 -5  33 5  o 458.148 12.999 44.560  2.5221 41.099  3.7928  47.304  3.3769 439.171 20.393 471.623 16.908 -32.45273      26.49052 
1 1 1 -5  33 6  o 163.476 29.595 5.9059  1.9734 3.0653  3.4474  7.2904  2.4068 130.285 47.759 181.450 32.516 -51.16463      57.77678 
1 1 1 -5  33 7  o 271.265 14.052 15.671  1.6087 16.047  2.3670  15.349  2.1930 273.620 20.578 267.738 19.475 5.881836       28.33203 
1 1 1 -5  33 8  o 722.268 12.492 110.737 3.8209 102.761 5.5469  117.939 5.2709 694.667 18.855 744.653 16.714 -49.98602      25.19674 
1 1 1 -5  33 9  o 640.793 12.563 87.170  3.4093 89.777  5.1017  85.066  4.5828 649.322 18.553 632.320 17.114 17.00244       25.24082 
1 1 1 -5  33 10 o 211.612 17.156 9.5904  1.5242 9.4363  2.6669  9.6652  1.8575 207.183 31.377 211.852 20.979 -4.669556      37.74469 
1 1 1 -5  33 11 o 649.358 14.440 89.613  3.9708 92.704  7.4179  88.372  4.7011 657.583 26.637 644.346 17.228 13.23676       31.72287 
1 1 1 -5  33 12 o 790.564 18.429 133.188 6.1701 105.472 9.0471  157.290 8.4366 699.631 30.535 857.514 23.232 -157.8821      38.36790 
1 1 1 -5  33 13 o 170.197 23.458 6.3170  1.6458 9.3484  3.9960  5.6977  1.8061 201.567 47.578 160.602 27.548 40.96515       54.97741 
1 1 1 -5  33 14 o 578.375 15.066 71.217  3.6903 71.516  7.3537  71.116  4.2664 574.124 30.353 577.435 17.447 -3.310669      35.01015 
1 1 1 -5  33 15 o 221.199 16.537 10.494  1.5379 9.2441  2.2367  11.616  2.1180 205.437 26.313 231.729 21.840 -26.29202      34.19608 
1 1 1 -5  33 16 o 343.573 16.473 25.203  2.3968 23.799  3.0032  27.666  3.9776 332.251 21.459 356.710 26.520 -24.45871      34.11465 
1 1 1 -5  33 17 o 366.542 17.185 28.737  2.6675 29.836  3.3962  26.967  4.3099 371.788 21.664 350.633 29.293 21.15558       36.43404 
1 1 1 -5  33 18 o 388.530 17.221 32.320  2.8336 23.004  6.5079  34.500  3.1476 311.796 51.054 401.067 18.532 -89.27042      54.31335 
1 1 1 -5  33 19 o 247.727 17.913 13.232  1.8665 14.436  2.9495  12.428  2.4107 255.747 27.674 238.259 24.229 17.48805       36.78151 
1 1 1 -5  33 20 f 227.483 18.087 11.195  1.7280 14.999  2.8605  9.0090  2.1685 260.707 26.266 201.539 26.014 59.16837       36.96810 
1 1 1 -5  33 21 o 204.719 18.675 9.1202  1.6012 12.017  2.6241  7.4015  2.0212 232.012 27.224 181.466 27.133 50.54602       38.43680 
1 1 1 -5  33 22 o 120.539 25.864 3.3175  1.2808 3.0570  2.3022  3.4343  1.5413 116.470 39.325 121.635 30.088 -5.164268      49.51485 
1 1 1 -5  33 23 o 107.835 24.632 2.6595  1.1002 3.7533  1.4974  1.3760  1.6220 127.360 28.477 86.758  32.579 40.60278       43.27020 
1 1 1 -5  33 24 o 152.372 19.857 5.1480  1.2509 3.8394  1.7716  6.4491  1.7665 126.952 32.740 168.560 25.547 -41.60848      41.52760 
1 1 1 -5  33 25 o 94.547  26.884 2.0719  1.1275 1.8169  1.4465  2.4668  1.7999 91.022  31.169 103.690 34.772 -12.66762      46.69650 
1 1 1 -5  33 26 o 83.062  27.656 1.5144  1.1387 0.5415  1.6533  2.3925  1.5707 75.465  31.367 101.487 32.391 -26.02228      45.08956 
1 1 1 -5  34 1  o 271.595 21.054 15.821  2.4026 16.275  3.1309  15.170  3.7471 274.322 27.314 263.101 34.459 11.22052       43.97117 
1 1 1 -5  34 2  o 543.364 15.023 62.740  3.4569 62.434  4.3366  63.272  5.7253 541.476 18.911 543.992 24.852 -2.515015      31.22909 
1 1 1 -5  34 3  o 560.493 13.006 66.699  3.0872 67.327  4.4398  66.112  4.2958 562.330 18.643 557.305 18.201 5.025330       26.05521 
1 1 1 -5  34 4  o 609.859 13.020 78.968  3.3626 77.757  4.8665  80.074  4.6518 604.239 19.018 613.378 17.908 -9.138611      26.12239 
1 1 1 -5  34 5  o 645.016 12.857 88.331  3.5121 90.968  5.2161  86.144  4.7502 653.575 18.845 636.236 17.630 17.33911       25.80618 
1 1 1 -5  34 6  o 256.881 17.415 14.105  1.8833 9.8230  3.8905  15.416  2.1524 208.124 45.416 268.365 19.062 -60.24098      49.25468 
1 1 1 -5  34 7  o 185.934 17.365 7.4201  1.3515 6.8313  2.0273  7.8911  1.8132 176.372 28.084 190.889 22.886 -14.51764      36.22766 
1 1 1 -5  34 8  o 365.540 13.672 28.383  2.1164 25.167  3.2166  30.838  2.8105 342.609 22.291 380.645 17.435 -38.03546      28.29955 
1 1 1 -5  34 9  o 675.914 12.553 97.005  3.5932 105.095 5.3479  90.347  4.8513 702.524 17.976 651.445 17.585 51.07910       25.14655 
1 1 1 -5  34 10 o 121.850 26.553 3.3054  1.3315 2.8546  2.3515  3.5181  1.6153 117.918 39.744 125.370 30.676 -7.452400      50.20547 
1 1 1 -5  34 11 o 646.266 12.425 88.707  3.4007 81.340  5.0350  94.887  4.6115 617.536 19.253 667.664 16.310 -50.12830      25.23226 
1 1 1 -5  34 12 o 343.653 17.316 25.233  2.5120 22.744  3.2130  29.147  4.0290 324.963 23.506 367.416 26.063 -42.45374      35.09701 
1 1 1 -5  34 13 o 258.171 19.561 14.325  2.1228 16.669  3.0847  12.217  2.9258 276.962 26.628 235.852 29.970 41.10997       40.09042 
1 1 1 -5  34 14 o 129.163 26.280 3.7248  1.3886 4.0378  1.9417  3.3971  1.9866 133.447 34.201 123.146 35.893 10.30102       49.57814 
1 1 1 -5  34 15 o 195.702 20.396 8.2992  1.6655 6.9135  2.1729  10.273  2.5932 175.936 30.255 215.655 29.141 -39.71933      42.00695 
1 1 1 -5  34 16 o 363.195 14.182 28.125  2.1813 25.264  3.1812  30.664  2.9968 341.879 22.090 378.276 18.707 -36.39655      28.94697 
1 1 1 -5  34 17 o 298.541 20.734 19.265  2.6052 17.470  3.4106  21.780  4.0365 281.455 29.031 313.829 30.768 -32.37405      42.30187 
1 1 1 -5  34 18 o 197.843 27.521 8.6916  2.2434 0.0000  0.0000  8.6916  2.2434 ?       ?      197.843 27.521 0.000000       27.52078 
1 1 1 -5  34 19 o 219.520 17.681 10.415  1.6298 12.575  2.5879  8.9960  2.0982 238.699 26.022 201.784 25.096 36.91478       36.15195 
1 1 1 -5  34 20 o 147.407 22.128 4.8199  1.3387 2.9675  2.1991  5.9106  1.6874 115.385 38.433 162.508 25.346 -47.12321      46.03789 
1 1 1 -5  34 21 o 346.230 15.428 25.763  2.2621 28.481  3.6192  24.019  2.8979 359.650 23.898 331.757 20.730 27.89203       31.63640 
1 1 1 -5  34 22 o 83.555  29.270 1.4291  1.2789 0.6988  2.4134  1.7143  1.5081 89.954  37.685 90.761  31.785 -0.8062592     49.29967 
1 1 1 -5  34 23 o 127.837 23.566 3.7074  1.2288 1.0804  1.8835  5.6541  1.6214 85.979  34.314 157.991 25.071 -72.01135      42.49675 
1 1 1 -5  34 24 o 201.970 17.721 8.9373  1.5004 9.4675  2.1882  8.4667  2.0613 204.205 25.884 192.971 25.876 11.23366       36.59966 
1 1 1 -5  34 25 o 108.780 26.927 2.7714  1.2338 1.9758  1.6576  3.7596  1.8475 94.998  33.320 124.529 34.053 -29.53056      47.64268 
1 1 1 -5  35 1  o 610.366 13.180 79.113  3.4068 75.239  4.8930  82.758  4.7463 594.229 19.444 623.495 17.976 -29.26575      26.47972 
1 1 1 -5  35 2  o 419.558 15.914 37.431  2.8277 37.708  3.5098  36.918  4.7733 420.638 19.703 414.103 27.373 6.534943       33.72652 
1 1 1 -5  35 3  o 333.284 18.494 23.727  2.6001 24.196  3.1690  22.761  4.5484 335.897 22.406 323.137 33.735 12.75958       40.49765 
1 1 1 -5  35 4  o 526.124 15.912 58.863  3.5453 57.636  4.3908  61.162  6.0098 519.980 19.939 534.270 26.562 -14.29089      33.21288 
1 1 1 -5  35 5  o 478.342 15.649 48.653  3.1701 52.447  4.1375  43.259  4.9329 496.040 19.696 448.660 26.075 47.38022       32.67780 
1 1 1 -5  35 6  o 214.282 25.502 9.9664  2.2688 12.419  3.9664  8.7739  2.7660 235.557 41.265 198.930 34.057 36.62650       53.50363 
1 1 1 -5  35 7  o 416.888 15.278 36.954  2.6972 37.814  3.3643  35.406  4.5128 421.254 18.858 405.565 26.419 15.68982       32.45921 
1 1 1 -5  35 8  o 377.965 16.281 30.398  2.6059 29.601  3.3580  31.604  4.1319 371.716 21.423 383.191 25.609 -11.47546      33.38816 
1 1 1 -5  35 9  o 127.096 33.157 3.6214  1.8034 5.0602  2.6618  2.4006  2.4518 149.712 40.847 112.797 40.426 36.91560       57.46980 
1 1 1 -5  35 10 o 217.803 21.538 10.238  1.9606 11.365  2.7741  9.1139  2.7712 227.831 29.441 202.614 33.465 25.21713       44.57176 
1 1 1 -5  35 11 o 428.757 15.499 39.141  2.8142 37.364  3.6416  41.775  4.4344 418.039 20.570 440.679 23.850 -22.63998      31.49500 
1 1 1 -5  35 12 o 403.402 16.323 34.693  2.7886 30.147  3.5585  41.928  4.4891 374.241 22.558 441.083 24.124 -66.84204      33.02763 
1 1 1 -5  35 13 o 454.409 13.587 43.953  2.6147 52.450  4.1018  38.137  3.3936 495.004 19.567 422.227 18.979 72.77701       27.25911 
1 1 1 -5  35 14 o 420.097 14.951 37.633  2.6599 40.903  4.8171  36.199  3.1903 434.042 26.331 411.293 18.316 22.74820       32.07520 
1 1 1 -5  35 15 o 423.980 14.665 38.348  2.6331 35.367  4.4053  40.005  3.2843 403.215 25.936 432.247 17.942 -29.03238      31.53716 
1 1 1 -5  35 16 o 150.456 25.424 5.0355  1.5622 2.6206  2.4423  6.7077  2.0323 113.834 40.395 173.207 28.712 -59.37257      49.55990 
1 1 1 -5  35 17 o 322.994 18.950 22.489  2.5807 20.470  3.1044  27.007  4.6432 306.402 24.120 348.705 31.792 -42.30209      39.90581 
1 1 1 -5  35 18 o 468.830 13.959 46.957  2.7716 40.608  4.0078  52.777  3.8370 432.658 21.945 495.467 18.286 -62.80869      28.56564 
1 1 1 -5  35 19 o 170.553 19.881 6.3683  1.4090 6.2496  2.2713  6.4426  1.7964 164.257 33.780 169.724 25.806 -5.467087      42.50890 
1 1 1 -5  35 20 o 225.754 18.813 11.099  1.7822 8.5030  3.0008  12.513  2.2153 189.019 38.788 238.558 22.181 -49.53838      44.68268 
1 1 1 -5  35 21 f 184.370 19.878 7.4661  1.5275 4.6355  2.4144  9.3552  1.9724 138.691 39.308 205.416 23.072 -66.72507      45.57890 
1 1 1 -5  35 22 o 391.032 15.591 32.955  2.5818 32.046  4.1256  33.541  3.3100 379.073 25.853 391.805 20.016 -12.73138      32.69588 
1 1 1 -5  35 23 o 206.055 19.109 9.3416  1.6486 12.188  2.6898  7.6295  2.0863 230.919 28.083 182.174 27.934 48.74472       39.61047 
1 1 1 -5  35 24 f 405.946 15.568 35.683  2.6764 35.619  3.9756  35.735  3.6193 399.299 23.615 401.868 21.343 -2.569855      31.83110 
1 1 1 -5  35 25 o 121.027 24.253 3.3741  1.1998 3.8797  1.6228  2.7646  1.7818 127.561 30.460 108.000 34.502 19.56115       46.02419 
1 1 1 -5  36 1  o 601.399 16.178 76.948  4.1202 52.568  8.2934  84.937  4.7476 489.569 40.361 631.544 17.751 -141.9756      44.09243 
1 1 1 -5  36 2  o 295.118 19.761 18.654  2.4555 11.519  5.5151  20.418  2.7423 222.480 57.956 308.578 21.111 -86.09781      61.68157 
1 1 1 -5  36 3  o 378.099 17.782 30.445  2.8473 40.159  5.9479  27.557  3.2430 430.095 32.905 358.630 21.451 71.46494       39.27971 
1 1 1 -5  36 4  o 445.685 17.219 42.290  3.2500 48.625  7.0869  40.602  3.6573 472.452 35.684 436.323 19.793 36.12839       40.80536 
1 1 1 -5  36 5  o 308.078 17.454 20.276  2.2679 18.182  5.4801  20.708  2.4912 283.831 47.253 311.106 18.999 -27.27548      50.92990 
1 1 1 -5  36 6  o 407.546 15.252 35.327  2.6323 40.017  5.5076  33.939  2.9967 429.885 30.450 399.143 17.729 30.74124       35.23500 
1 1 1 -5  36 7  o 130.492 25.192 3.7715  1.3417 1.3360  2.0801  5.5068  1.7559 95.028  36.606 157.950 27.233 -62.92155      45.62508 
1 1 1 -5  36 8  f 569.476 14.425 68.971  3.4788 62.874  6.5447  71.373  4.1071 539.496 28.749 578.863 16.754 -39.36707      33.27483 
1 1 1 -5  36 9  o 319.480 15.918 21.737  2.1537 18.760  4.9002  22.449  2.3977 289.614 41.107 324.014 17.539 -34.40054      44.69230 
1 1 1 -5  36 10 o 401.637 14.879 34.343  2.5308 39.360  5.1781  32.769  2.9008 425.869 28.882 391.918 17.478 33.95053       33.75825 
1 1 1 -5  36 11 o 173.892 22.731 6.5974  1.6339 9.9314  3.5605  5.7080  1.8390 208.401 41.798 160.278 28.118 48.12309       50.37550 
1 1 1 -5  36 12 o 380.023 15.681 30.804  2.5236 28.963  4.7714  31.519  2.9736 363.348 31.314 383.905 18.290 -20.55759      36.26427 
1 1 1 -5  36 13 o 339.852 16.070 24.662  2.3129 29.331  4.4617  22.947  2.7047 366.144 29.012 326.577 19.648 39.56769       35.03909 
1 1 1 -5  36 14 o 242.935 17.137 12.688  1.7517 9.5587  3.0018  14.304  2.1571 205.224 35.844 257.351 19.949 -52.12723      41.02089 
1 1 1 -5  36 15 o 217.904 18.100 10.249  1.6552 12.708  2.4713  8.2477  2.2290 241.031 24.553 192.597 28.161 48.43419       37.36179 
1 1 1 -5  36 16 o 333.725 15.049 23.805  2.1269 21.964  3.0485  25.550  2.9687 317.889 22.796 343.804 20.483 -25.91440      30.64667 
1 1 1 -5  36 17 o 75.942  29.992 0.7665  1.4251 0.6977  1.6284  0.9917  2.9455 78.649  31.722 101.417 41.987 -22.76826      52.62306 
1 1 1 -5  36 18 f 349.814 14.996 26.217  2.2215 23.761  3.2532  28.363  3.0410 329.495 23.468 361.721 19.928 -32.22562      30.78747 
1 1 1 -5  36 19 o 86.352  28.842 1.5929  1.2383 2.3939  2.1515  1.1962  1.5142 106.663 37.908 83.010  31.410 23.65270       49.22990 
1 1 1 -5  36 20 o 77.816  28.036 1.1749  1.1807 -0.0001 2.1426  1.6872  1.4149 79.344  34.421 89.435  30.817 -10.09035      46.20096 
1 1 1 -5  36 21 o 82.866  29.093 1.4093  1.2639 2.9900  2.2941  0.7204  1.5144 114.732 39.253 75.967  30.610 38.76567       49.77670 
1 1 1 -5  36 22 o 192.623 20.539 8.2120  1.6496 9.5070  2.7598  7.4920  2.0577 200.702 33.662 180.736 27.773 19.96637       43.64008 
1 1 1 -5  36 23 o 108.823 29.156 2.8003  1.3707 4.6803  2.3032  1.7691  1.7057 137.160 38.224 92.229  33.627 44.93071       50.90979 
1 1 1 -5  36 24 o 182.859 21.030 7.4668  1.5989 7.0273  2.4575  7.7894  2.1055 169.820 35.322 183.337 28.007 -13.51620      45.07798 
1 1 1 -5  37 1  o 305.835 18.214 20.010  2.3484 15.807  2.8755  28.428  4.0693 270.281 25.421 362.816 26.671 -92.53513      36.84530 
1 1 1 -5  37 2  o 229.447 20.969 11.339  2.0150 7.3545  2.5267  18.301  3.3398 181.426 34.139 290.512 27.472 -109.0857      43.82018 
1 1 1 -5  37 3  o 285.011 16.884 17.361  2.0288 17.655  2.8794  17.071  2.8589 286.091 23.988 281.232 24.241 4.858490       34.10349 
1 1 1 -5  37 4  o 423.248 16.846 38.158  3.0195 37.944  6.6368  38.213  3.3907 415.434 38.150 423.230 18.918 -7.795929      42.58260 
1 1 1 -5  37 5  o 252.493 20.042 13.699  2.1254 11.890  4.8958  14.119  2.3593 226.299 52.155 255.987 21.977 -29.68826      56.59642 
1 1 1 -5  37 6  o 209.759 30.183 9.6879  2.6039 7.0078  3.8064  12.045  3.5700 174.642 49.306 232.186 37.591 -57.54442      62.00178 
1 1 1 -5  37 7  o 315.098 21.810 21.356  2.8925 22.717  4.4279  20.344  3.8203 321.912 32.945 305.398 29.922 16.51431       44.50506 
1 1 1 -5  37 8  o 330.323 17.225 23.337  2.4012 22.824  4.5105  23.540  2.8366 322.225 33.546 331.117 20.327 -8.891449      39.22389 
1 1 1 -5  37 9  o 211.725 21.394 9.7025  1.8919 10.107  4.0574  9.5900  2.1386 208.635 47.044 209.770 24.538 -1.135437      53.05917 
1 1 1 -5  37 10 o 252.783 18.423 13.734  1.9586 14.444  4.1843  13.534  2.2165 252.551 40.491 250.355 21.102 2.196854       45.65997 
1 1 1 -5  37 11 o 172.477 21.874 6.4907  1.5618 1.3880  2.5648  9.4980  1.9690 101.479 40.185 208.960 22.611 -107.4814      46.10952 
1 1 1 -5  37 12 f 290.628 15.750 18.088  1.9313 16.502  3.0180  19.187  2.5132 274.792 26.253 298.353 20.007 -23.56088      33.00770 
1 1 1 -5  37 13 o 377.796 14.050 30.442  2.2479 29.142  3.6141  31.263  2.8709 366.597 23.401 382.032 17.745 -15.43512      29.36818 
1 1 1 -5  37 14 o 131.089 27.325 3.8763  1.4678 2.9181  2.9799  4.1832  1.6865 121.581 44.427 135.638 30.143 -14.05640      53.68808 
1 1 1 -5  37 15 o 184.128 18.063 7.3448  1.3903 5.1691  2.0126  9.3310  1.9229 150.246 32.570 206.622 22.331 -56.37619      39.49040 
1 1 1 -5  37 16 o 220.197 17.571 10.477  1.6249 9.4350  2.3380  11.450  2.2598 205.897 27.500 228.457 23.703 -22.55927      36.30532 
1 1 1 -5  37 17 o 125.116 43.093 3.4665  2.7665 7.8196  4.3839  0.5858  3.5662 176.750 53.772 105.241 45.016 71.50890       70.12721 
1 1 1 -5  37 18 o 161.181 22.551 5.7697  1.4971 2.3323  2.2776  8.3848  1.9866 106.884 38.874 194.023 24.741 -87.13971      46.07925 
1 1 1 -5  37 19 o 131.362 27.022 3.9582  1.4531 2.9628  2.2981  4.6211  1.8756 114.754 39.287 140.357 32.233 -25.60368      50.81812 
1 1 1 -5  37 20 o 293.380 16.550 18.640  2.0479 17.797  3.3162  19.160  2.6037 280.774 28.274 295.503 20.941 -14.72845      35.18461 
1 1 1 -5  37 21 o 196.910 19.587 8.5393  1.6117 9.3678  2.6510  8.0536  2.0299 200.119 32.388 188.405 26.146 11.71368       41.62443 
1 1 1 -5  37 22 o 234.444 18.789 12.086  1.8498 12.708  2.9704  11.692  2.3641 233.520 30.787 227.415 24.957 6.104431       39.63231 
1 1 1 -5  37 23 o 162.612 21.857 5.9509  1.4670 3.1257  2.3524  7.7491  1.8767 114.524 39.720 184.533 24.630 -70.00922      46.73658 
1 1 1 -5  38 1  o 207.356 22.876 9.3281  1.9753 8.0629  3.5150  9.9120  2.3881 187.030 44.939 212.833 27.111 -25.80356      52.48329 
1 1 1 -5  38 2  o 346.091 15.284 25.507  2.2402 23.072  3.2104  27.818  3.1274 327.133 23.327 360.030 20.597 -32.89740      31.11875 
1 1 1 -5  38 3  o 366.070 16.930 28.574  2.6246 26.039  3.2686  33.176  4.4032 347.875 22.305 391.557 26.714 -43.68231      34.80116 
1 1 1 -5  38 4  o 109.678 34.620 2.5997  1.7981 0.8565  2.3661  4.9823  2.7663 93.620  38.069 148.111 42.110 -54.49150      56.76643 
1 1 1 -5  38 5  o 148.070 32.782 4.9468  2.0013 5.7433  2.8428  4.1643  2.8180 158.347 41.785 137.297 43.340 21.05042       60.20242 
1 1 1 -5  38 6  o 135.346 28.433 4.1040  1.5779 5.1811  2.5908  3.4689  1.9894 150.578 39.965 124.377 35.822 26.20088       53.66948 
1 1 1 -5  38 7  o 411.354 16.590 36.104  2.8901 33.860  3.6998  39.617  4.6289 396.604 22.116 427.917 25.662 -31.31323      33.87704 
1 1 1 -5  38 8  o 215.362 20.011 10.019  1.8042 10.516  2.8338  9.6802  2.3396 217.593 31.682 209.981 26.931 7.612747       41.58154 
1 1 1 -5  38 9  o 209.692 18.787 9.4866  1.6506 11.192  2.8168  8.5950  2.0370 224.815 30.363 198.107 24.825 26.70761       39.21998 
1 1 1 -5  38 10 o 266.440 16.225 15.219  1.8220 15.569  3.0140  15.018  2.2873 266.636 27.067 263.664 20.650 2.972137       34.04460 
1 1 1 -5  38 11 o 114.911 30.341 2.9914  1.4983 3.2622  2.5396  2.8469  1.8556 122.998 41.304 113.280 35.077 9.718567       54.18889 
1 1 1 -5  38 12 f 157.879 22.935 5.4894  1.4886 7.8558  2.3979  4.0056  1.8988 186.831 31.421 132.184 33.790 54.64706       46.14170 
1 1 1 -5  38 13 o 216.434 17.588 10.108  1.5981 12.172  2.5936  8.8453  2.0291 235.030 26.521 200.588 24.389 34.44205       36.03053 
1 1 1 -5  38 14 o 393.600 13.562 33.067  2.2605 34.671  3.4026  31.800  3.0244 401.152 20.029 384.648 18.567 16.50397       27.31081 
1 1 1 -5  38 15 o 167.908 23.702 6.2381  1.6385 9.7435  3.5928  5.3176  1.8411 202.568 43.199 153.041 29.476 49.52724       52.29741 
1 1 1 -5  38 16 o 479.253 13.741 49.121  2.7889 44.445  3.9702  53.677  3.9186 453.034 20.694 498.958 18.545 -45.92441      27.78738 
1 1 1 -5  38 17 o 277.986 20.761 16.880  2.4264 16.869  5.4611  16.883  2.7084 259.030 51.596 276.913 23.312 -17.88309      56.61815 
1 1 1 -5  38 18 o 166.484 21.856 6.1530  1.5037 4.4230  2.2682  7.5096  2.0086 135.701 37.974 182.234 26.829 -46.53325      46.49532 
1 1 1 -5  38 19 o 97.211  30.480 2.1427  1.3961 3.8659  2.1890  0.9612  1.8126 127.056 37.851 83.723  33.575 43.33241       50.59568 
1 1 1 -5  38 20 o 206.998 19.353 9.4160  1.6768 9.0334  2.7603  9.6397  2.1110 195.303 34.642 207.244 24.528 -11.94057      42.44684 
1 1 1 -5  38 21 o 108.009 29.657 2.7567  1.3979 1.1419  2.5638  3.4400  1.6677 94.427  39.139 119.779 32.187 -25.35244      50.67398 
1 1 1 -5  38 22 o 141.428 30.469 4.7681  1.7711 4.2810  2.2204  5.6199  2.9362 130.926 37.885 146.796 43.861 -15.87080      57.95743 
1 1 1 -5  38 23 o 136.760 39.897 4.7562  2.4537 4.7562  2.4537  0.0000  0.0000 136.760 39.897 ?       ?      0.000000       39.89743 
1 1 1 -5  39 1  o 342.160 16.089 24.976  2.3313 23.711  3.6038  25.886  3.0571 330.459 25.960 346.844 20.911 -16.38519      33.33479 
1 1 1 -5  39 2  o 429.188 15.227 39.265  2.7676 37.456  4.5372  40.338  3.4926 415.815 25.894 434.207 18.994 -18.39185      32.11348 
1 1 1 -5  39 3  o 354.665 16.810 26.854  2.5248 27.403  3.9550  26.475  3.2801 355.220 26.481 350.423 22.218 4.796204       34.56708 
1 1 1 -5  39 4  o 393.625 14.246 33.004  2.3747 33.193  3.6047  32.859  3.1564 392.617 21.765 391.849 19.021 0.7678223      28.90540 
1 1 1 -5  39 5  o 157.325 31.470 5.5749  2.0235 6.5304  2.8240  4.5667  2.9008 168.372 40.167 142.204 43.828 26.16824       59.44979 
1 1 1 -5  39 6  o 184.419 28.571 7.5446  2.1592 7.7535  2.5941  7.0734  3.8956 185.301 34.322 173.615 50.164 11.68623       60.78146 
1 1 1 -5  39 7  o 330.025 23.458 23.588  3.2572 23.588  3.2572  0.0000  0.0000 330.025 23.458 ?       ?      0.000000       23.45819 
1 1 1 -5  39 8  o 206.864 27.018 9.4312  2.3104 8.1371  2.8686  11.821  3.8981 188.697 37.219 226.408 42.208 -37.71136      56.27417 
1 1 1 -5  39 9  o 545.727 13.212 63.459  3.0535 66.298  4.6746  61.346  4.0327 555.611 19.867 535.203 17.792 20.40814       26.66934 
1 1 1 -5  39 10 f 268.757 16.095 15.500  1.8235 19.887  2.9594  12.814  2.3151 302.503 23.280 242.599 22.802 59.90385       32.58635 
1 1 1 -5  39 11 o 334.612 14.952 23.923  2.1187 26.595  3.2844  22.018  2.7728 350.241 22.259 319.097 20.629 31.14447       30.34842 
1 1 1 -5  39 12 o 209.431 19.037 9.5050  1.6700 11.895  2.6386  7.9077  2.1569 231.876 27.400 188.318 27.889 43.55756       39.09678 
1 1 1 -5  39 13 o 279.220 15.229 16.730  1.7940 18.699  2.7883  15.339  2.3435 292.971 22.650 265.729 20.996 27.24265       30.88416 
1 1 1 -5  39 14 o 305.732 14.487 19.995  1.8757 20.892  2.8829  19.338  2.4700 309.689 22.128 298.789 19.629 10.90039       29.57933 
1 1 1 -5  39 15 o 148.646 22.031 4.8969  1.3449 3.5178  2.1836  5.7398  1.7071 123.379 38.026 159.861 26.118 -36.48222      46.13110 
1 1 1 -5  39 16 o 322.753 16.365 22.480  2.2296 19.667  3.5421  24.326  2.8693 296.146 28.599 334.072 20.378 -37.92590      35.11671 
1 1 1 -5  39 17 o 212.516 22.997 10.016  2.0366 12.523  4.8463  9.4779  2.2445 219.310 52.812 205.205 26.442 14.10464       59.06187 
1 1 1 -5  39 18 o 187.615 19.712 7.7429  1.5428 7.0080  2.1344  8.5470  2.2325 174.227 30.011 193.735 28.025 -19.50789      41.06195 
1 1 1 -5  39 19 o 101.482 34.941 2.2805  1.8187 -0.4690 2.1687  8.7988  3.3391 75.278  33.560 187.609 42.954 -112.3317      54.50935 
1 1 1 -5  39 20 o 65.019  29.682 -0.8839 1.8172 -0.8912 2.2218  -0.8693 3.1581 72.559  33.006 86.993  39.486 -14.43373      51.46414 
1 1 1 -5  39 21 o 155.253 32.931 5.8206  2.0981 8.2230  2.6745  1.9768  3.3830 183.487 35.704 108.847 45.025 74.63982       57.46310 
1 1 1 -5  39 22 o 131.575 40.319 4.4084  2.4589 4.4084  2.4589  0.0000  0.0000 131.575 40.319 ?       ?      0.000000       40.31937 
1 1 1 -5  40 1  o 81.796  31.614 0.9920  1.5555 -0.4864 2.5299  1.8907  1.9724 83.720  36.837 99.992  36.205 -16.27225      51.65028 
1 1 1 -5  40 2  o 250.950 17.562 13.537  1.8547 11.285  2.7847  15.333  2.4864 225.708 29.867 265.990 22.278 -40.28212      37.26079 
1 1 1 -5  40 3  o 275.624 16.900 16.301  1.9631 16.803  2.8748  15.863  2.6871 277.811 24.693 270.156 23.727 7.655060       34.24474 
1 1 1 -5  40 4  o 141.956 26.495 4.5015  1.5342 6.7168  2.6973  3.4421  1.8654 170.772 38.248 123.154 34.428 47.61817       51.46032 
1 1 1 -5  40 5  o 389.915 15.742 32.473  2.5995 36.685  4.8424  30.768  3.0811 409.708 28.078 378.246 19.299 31.46265       34.07082 
1 1 1 -5  40 6  o 253.183 20.979 13.879  2.2291 16.161  4.1292  12.941  2.6481 267.341 37.504 242.926 26.153 24.41475       45.72210 
1 1 1 -5  40 7  o 314.787 18.949 21.339  2.5143 23.376  3.2922  18.488  3.8949 327.952 23.869 288.230 32.475 39.72192       40.30289 
1 1 1 -5  40 8  o 293.665 20.058 18.630  2.4796 18.375  3.1098  19.077  4.1085 289.841 25.599 291.987 33.854 -2.145630      42.44315 
1 1 1 -5  40 9  o 299.690 20.062 19.413  2.5315 17.258  3.2032  22.998  4.1316 280.022 27.361 322.140 30.655 -42.11780      41.08970 
1 1 1 -5  40 10 o 396.578 16.976 33.713  2.8510 33.450  3.6714  34.113  4.5250 392.759 22.164 394.299 27.266 -1.539734      35.13818 
1 1 1 -5  40 11 o 73.634  31.613 0.0161  1.7704 3.2854  2.2860  -4.8840 2.7987 121.156 39.119 64.164  31.332 56.99232       50.12036 
1 1 1 -5  40 12 o 308.367 18.120 20.515  2.3559 20.120  2.9704  21.185  3.8682 303.555 23.284 308.539 29.983 -4.984161      37.96174 
1 1 1 -5  40 13 f 471.505 15.750 47.673  3.1449 40.496  3.9408  60.259  5.2189 432.220 21.529 526.123 23.423 -93.90295      31.81454 
1 1 1 -5  40 14 o 505.762 15.438 54.896  3.3066 57.300  4.2218  51.082  5.3181 514.750 19.367 481.248 26.193 33.50220       32.57512 
1 1 1 -5  40 15 o 181.876 24.030 7.3738  1.8055 8.9421  2.3813  5.2528  2.7692 198.374 29.220 146.952 42.246 51.42206       51.36716 
1 1 1 -5  40 16 o 321.748 17.965 22.488  2.4381 21.046  3.1265  24.726  3.8947 308.110 24.154 331.621 27.994 -23.51086      36.97451 
1 1 1 -5  40 17 o 75.866  34.811 -1.3182 2.5426 -3.2997 4.1808  -0.1552 3.2030 89.376  42.195 93.344  41.242 -3.968178      59.00306 
1 1 1 -5  40 18 o 294.980 19.516 19.063  2.4242 22.093  2.9370  12.587  4.2937 316.203 22.071 222.038 47.121 94.16563       52.03436 
1 1 1 -5  40 19 o 165.963 29.944 6.4508  2.0272 8.0224  2.4515  3.0522  3.6050 183.961 32.663 120.822 47.707 63.13898       57.81699 
1 1 1 -5  40 20 o 191.675 22.887 8.2861  1.8210 7.8652  2.5053  8.7576  2.6515 180.362 34.048 190.500 34.120 -10.13754      48.20210 
1 1 1 -5  40 21 o 283.013 30.870 18.830  3.6399 0.0000  0.0000  18.830  3.6399 ?       ?      283.013 30.870 0.000000       30.87047 
1 1 1 -5  41 1  o 191.582 21.324 8.0012  1.7007 5.5409  2.5482  9.9774  2.2837 154.365 38.974 212.879 25.863 -58.51407      46.77466 
1 1 1 -5  41 2  o 83.843  30.703 1.2758  1.4242 3.1084  2.1595  -0.1349 1.8947 118.525 37.996 74.832  32.417 43.69304       49.94503 
1 1 1 -5  41 3  o 79.106  30.155 0.9940  1.4021 1.3568  2.2185  0.7528  1.8092 95.968  37.569 82.730  33.414 13.23848       50.27798 
1 1 1 -5  41 4  o 189.219 21.580 7.8147  1.6983 4.4917  2.8716  9.6023  2.1062 139.977 43.684 209.243 24.216 -69.26527      49.94731 
1 1 1 -5  41 5  o 124.316 29.558 3.5167  1.5334 8.3812  2.8935  1.6172  1.8081 190.894 37.129 93.897  34.562 96.99674       50.72575 
1 1 1 -5  41 6  o 474.499 15.778 48.164  3.1705 48.078  5.9790  48.198  3.7396 466.798 30.411 473.714 18.641 -6.915558      35.66989 
1 1 1 -5  41 7  o 290.173 29.798 18.671  3.6098 0.0000  0.0000  18.671  3.6098 ?       ?      290.173 29.798 0.000000       29.79842 
1 1 1 -5  41 8  o 134.265 32.121 4.1398  1.8019 0.2930  3.7190  5.3199  2.0598 105.955 45.657 152.260 32.905 -46.30470      56.27891 
1 1 1 -5  41 9  o 170.297 25.197 6.4413  1.7623 5.2026  3.9137  6.7564  1.9738 150.315 51.270 173.672 27.772 -23.35696      58.30882 
1 1 1 -5  41 10 o 119.401 30.904 3.2711  1.5747 0.3066  3.5615  3.9915  1.7557 103.699 44.683 131.664 31.837 -27.96510      54.86489 
1 1 1 -5  41 11 o 250.927 19.255 13.656  2.0305 15.224  4.0842  13.140  2.3402 256.391 38.830 244.953 22.823 11.43849       45.04052 
1 1 1 -5  41 12 o 87.448  32.465 1.3965  1.6017 2.4320  3.1898  1.0473  1.8522 116.587 45.212 86.253  34.151 30.33400       56.66103 
1 1 1 -5  41 13 o 165.741 21.488 6.0683  1.4728 6.9189  2.3613  5.5267  1.8841 172.569 33.519 155.233 29.743 17.33615       44.81278 
1 1 1 -5  41 14 o 202.455 17.724 8.9247  1.5043 7.2748  2.5330  9.8237  1.8697 175.633 35.280 211.278 21.182 -35.64456      41.15031 
1 1 1 -5  41 15 o 139.495 26.380 4.4522  1.5013 3.3999  3.2643  4.7345  1.6907 124.497 46.322 142.998 28.912 -18.50085      54.60431 
1 1 1 -5  41 16 o 177.171 34.774 7.4554  2.5159 17.484  4.6187  3.2243  3.0001 267.672 42.138 120.725 44.507 146.9472       61.29049 
1 1 1 -5  41 17 o 228.294 23.016 11.614  2.1949 24.676  5.5706  9.2137  2.3880 317.098 42.556 200.175 29.016 116.9229       51.50673 
1 1 1 -5  41 18 o 169.026 34.167 6.8705  2.3616 4.3735  5.8166  7.3634  2.5842 140.610 58.672 173.889 36.266 -33.27818      68.97556 
1 1 1 -5  41 19 o 76.899  34.200 -0.2809 2.2379 1.2798  5.6096  -0.5763 2.4405 120.305 53.779 77.886  35.091 42.41950       64.21529 
1 1 1 -5  41 20 o 72.053  30.730 0.2951  1.6531 3.4722  5.6698  -0.0000 1.7282 130.802 56.369 70.382  30.719 60.41962       64.19641 
1 1 1 -5  41 21 o 150.488 25.128 5.2369  1.5450 1.9308  2.7010  6.8446  1.8835 101.869 40.938 171.552 26.803 -69.68261      48.93126 
1 1 1 -5  42 1  o 259.887 20.743 14.658  2.2639 5.4595  4.8982  17.157  2.5530 156.800 57.011 281.008 21.619 -124.2077      60.97266 
1 1 1 -5  42 2  o 174.518 22.025 6.6826  1.5915 5.0204  2.3854  8.0163  2.1366 146.689 38.068 189.730 27.385 -43.04057      46.89462 
1 1 1 -5  42 3  o 178.745 22.520 7.0170  1.6669 10.087  2.6869  5.0964  2.1252 211.946 30.840 148.556 34.450 63.39029       46.23756 
1 1 1 -5  42 4  o 201.423 19.912 8.8224  1.6763 11.524  2.8003  7.3136  2.0926 227.137 29.834 180.740 28.265 46.39687       41.09729 
1 1 1 -5  42 5  o 127.622 27.189 3.6894  1.4245 6.4583  2.5889  2.4871  1.7059 166.441 37.614 106.094 33.746 60.34610       50.53308 
1 1 1 -5  42 6  o 81.557  31.652 0.9999  1.5642 0.8823  2.6136  1.0655  1.9525 95.957  39.624 88.387  35.042 7.570641       52.89655 
1 1 1 -5  42 7  o 76.983  32.410 0.2922  1.7994 -1.0454 3.4758  0.7819  2.1031 93.686  42.074 87.406  35.755 6.280655       55.21461 
1 1 1 -5  42 8  o 109.715 30.686 2.7461  1.4816 0.1930  2.4053  4.3071  1.8807 86.380  36.960 136.474 32.921 -50.09388      49.49559 
1 1 1 -5  42 9  o 178.709 21.365 7.0107  1.5849 6.9920  2.5771  7.0220  2.0098 173.194 36.297 176.786 27.760 -3.592239      45.69592 
1 1 1 -5  42 10 o 251.235 17.123 13.637  1.8109 14.283  2.9981  13.267  2.2722 252.823 28.499 246.186 22.027 6.637268       36.01944 
1 1 1 -5  42 11 o 260.591 19.216 14.763  2.1057 11.109  4.3768  15.863  2.4020 210.794 49.818 269.424 21.224 -58.63020      54.15049 
1 1 1 -5  42 12 o 83.566  31.052 1.2844  1.4660 4.5073  3.1000  0.3560  1.6638 137.454 45.624 74.503  31.255 62.95090       55.30300 
1 1 1 -5  42 13 o 136.661 26.118 4.2645  1.4564 5.9217  3.0491  3.7746  1.6578 154.246 44.326 126.885 31.094 27.36137       54.14498 
1 1 1 -5  42 14 o 143.713 24.849 4.6902  1.4576 6.1717  3.2494  4.3170  1.6309 155.958 46.032 136.175 29.160 19.78357       54.49122 
1 1 1 -5  42 15 o 113.984 33.427 3.0723  1.7184 -2.2042 3.2592  5.1038  2.0223 81.741  38.163 146.382 33.364 -64.64159      50.69137 
1 1 1 -5  42 16 f 95.082  44.551 -2.6555 4.5084 -2.6555 4.5084  0.0000  0.0000 95.082  44.551 ?       ?      0.000000       44.55114 
1 1 1 -5  42 17 o 194.295 22.388 8.4599  1.8084 8.0041  2.3506  9.1210  2.8309 184.340 31.225 194.182 35.742 -9.842087      47.46041 
1 1 1 -5  42 18 o 159.382 24.606 5.8222  1.6074 4.0031  2.3180  7.5069  2.2308 126.190 39.226 177.943 30.713 -51.75256      49.81989 
1 1 1 -5  42 19 o 71.002  28.993 0.6159  1.3797 0.8445  1.9304  0.3772  1.9728 82.248  34.016 78.066  33.439 4.181847       47.69946 
1 1 1 -5  42 20 o 62.246  26.886 0.0518  1.2957 0.9851  2.3806  -0.3411 1.5445 89.269  37.415 63.410  28.291 25.85882       46.90704 
1 1 1 -5  43 1  o 172.949 26.494 6.6843  1.8787 8.9384  2.3286  2.4810  3.1797 199.846 28.305 117.605 45.271 82.24088       53.39178 
1 1 1 -5  43 2  o 206.872 20.469 9.3313  1.7697 12.149  2.7180  7.2577  2.3316 233.620 28.032 178.380 32.043 55.24046       42.57409 
1 1 1 -5  43 3  o 117.116 30.146 3.1455  1.5040 -3.4482 2.4501  7.1328  1.9052 63.658  30.661 178.955 25.893 -115.2972      40.13139 
1 1 1 -5  43 4  o 133.214 28.448 4.0441  1.5561 6.4515  2.7259  2.8804  1.8952 165.250 39.491 113.073 35.522 52.17755       53.11582 
1 1 1 -5  43 5  o 223.539 18.291 10.827  1.7164 11.503  3.0927  10.526  2.0633 224.767 33.516 219.098 22.559 5.668930       40.40067 
1 1 1 -5  43 6  o 251.006 18.378 13.642  1.9400 8.9563  3.0071  16.983  2.5391 195.926 37.610 279.061 21.654 -83.13527      43.39841 
1 1 1 -5  43 7  o 247.002 24.037 13.431  2.4825 10.873  4.3540  14.663  3.0218 209.543 49.799 256.354 28.306 -46.81042      57.28153 
1 1 1 -5  43 8  o 241.606 18.020 12.651  1.8305 8.9201  2.9638  14.952  2.3275 195.186 37.214 261.665 21.186 -66.47913      42.82217 
1 1 1 -5  43 9  o 205.521 19.540 9.2229  1.6802 9.4295  2.8649  9.1146  2.0745 201.609 34.814 202.506 24.701 -0.8967438     42.68658 
1 1 1 -5  43 10 o 150.412 24.755 5.0927  1.5220 3.7040  2.6492  5.7769  1.8594 126.321 42.187 158.946 28.679 -32.62514      51.01189 
1 1 1 -5  43 11 o 134.969 31.248 4.2652  1.7508 6.5856  2.6045  2.3521  2.3648 165.419 37.981 107.139 39.513 58.28025       54.80692 
1 1 1 -5  43 12 o 113.240 32.349 3.0129  1.6286 3.0022  2.3365  3.0229  2.2712 114.867 39.600 114.855 39.057 0.1148987E-01  55.62062 
1 1 1 -5  43 13 o 98.095  30.191 2.2090  1.3770 2.1958  1.9093  2.2233  1.9879 100.863 35.725 101.834 36.412 -0.9703903     51.01056 
1 1 1 -5  43 14 o 118.771 29.715 3.3210  1.4909 3.0042  2.1703  3.6042  2.0517 113.589 38.183 122.328 36.690 -8.738846      52.95332 
1 1 1 -5  43 15 o 219.835 20.299 10.680  1.8684 8.6275  2.5449  13.081  2.7519 191.213 32.597 239.421 27.649 -48.20836      42.74389 
1 1 1 -5  43 16 o 181.026 42.489 8.3849  3.2014 0.0000  0.0000  8.3849  3.2014 ?       ?      181.026 42.489 0.000000       42.48897 
1 1 1 -5  43 17 o 57.679  25.369 -0.1671 1.1989 -0.2986 1.9761  -0.0905 1.5082 72.187  32.119 65.319  28.598 6.867599       43.00607 
1 1 1 -5  43 18 o 136.521 26.662 4.3797  1.4862 7.5886  2.0937  1.1209  2.1100 179.625 28.473 87.411  35.792 92.21407       45.73611 
1 1 1 -5  43 19 o 263.855 18.114 15.368  2.0118 9.7233  2.8881  20.689  2.8039 198.211 35.720 303.504 21.964 -105.2937      41.93246 
1 1 1 -5  44 1  o 155.753 29.658 5.5456  1.8848 1.1238  2.3358  13.799  3.1912 93.824  37.940 246.966 31.209 -153.1424      49.12704 
1 1 1 -5  44 2  f 188.311 25.802 7.9158  2.0036 7.3733  2.5117  8.8650  3.3223 178.191 34.531 192.239 41.985 -14.04810      54.36080 
1 1 1 -5  44 3  f 203.454 22.730 9.1217  1.9250 9.3664  2.6969  8.8675  2.7486 202.241 32.597 195.864 34.391 6.376663       47.38454 
1 1 1 -5  44 4  o 136.629 32.950 4.3525  1.8844 7.1836  2.7297  1.7752  2.6045 174.222 38.062 103.872 40.695 70.35009       55.72067 
1 1 1 -5  44 5  o 116.157 34.582 3.1192  1.8277 3.2737  2.6750  2.9838  2.5032 121.603 42.346 116.994 40.951 4.608528       58.90834 
1 1 1 -5  44 6  f 114.313 33.536 3.0242  1.7293 3.4525  2.3361  2.5050  2.5721 122.314 39.552 111.448 41.187 10.86599       57.10264 
1 1 1 -5  44 7  o 115.219 38.540 3.0003  2.2110 9.6138  4.0233  0.1387  2.6464 195.382 48.776 88.705  38.369 106.6767       62.05821 
1 1 1 -5  44 8  f 316.347 18.071 21.719  2.4109 21.044  3.4071  22.395  3.4120 307.172 26.449 317.442 25.598 -10.27008      36.80761 
1 1 1 -5  44 9  o 114.804 33.872 3.0906  1.7597 5.5621  2.5944  0.9848  2.3948 150.941 39.959 92.195  37.985 58.74606       55.13215 
1 1 1 -5  44 10 f 81.639  31.397 1.1281  1.5284 3.8557  2.4709  -0.5622 1.9451 126.762 40.644 70.598  31.606 56.16418       51.48634 
1 1 1 -5  44 11 o 192.437 24.112 8.3130  1.9219 8.3678  2.7873  8.2633  2.6536 186.659 36.569 186.418 34.895 0.2409973      50.54642 
1 1 1 -5  44 12 o 191.438 20.152 8.0991  1.6092 12.245  2.6004  5.5256  2.0487 232.351 26.926 152.523 32.699 79.82765       42.35837 
1 1 1 -5  44 13 o 122.553 27.376 3.5014  1.3850 3.0874  2.6344  3.6596  1.6281 116.342 41.882 124.119 31.052 -7.776894      52.13796 
1 1 1 -5  44 14 o 176.428 22.356 6.9842  1.6329 10.970  3.1087  5.4657  1.9189 213.658 35.611 151.964 30.871 61.69330       47.12903 
1 1 1 -5  44 15 o 91.633  30.029 1.9140  1.3445 3.5669  2.6520  1.3423  1.5598 120.807 42.159 84.141  31.870 36.66571       52.84911 
1 1 1 -5  44 16 o 112.633 32.262 3.0867  1.6176 0.0000  0.0000  3.0867  1.6176 ?       ?      112.633 32.262 0.000000       32.26191 
1 1 1 -5  44 17 o 153.321 22.821 5.3714  1.4366 1.2486  2.2698  8.1264  1.8555 90.401  37.082 188.607 23.757 -98.20628      44.03950 
1 1 1 -5  44 18 o 94.173  31.688 2.0637  1.4948 5.3094  2.1225  -1.1300 2.1055 145.633 34.876 67.732  31.295 77.90126       46.85813 
1 1 1 -5  45 1  o 104.665 34.584 2.4538  1.7820 -1.6696 4.4545  3.2395  1.9444 100.722 46.164 117.665 35.814 -16.94262      58.42781 
1 1 1 -5  45 2  o 75.226  30.326 0.6868  1.4872 -3.1635 4.5920  1.1381  1.5720 95.658  44.866 82.743  31.837 12.91525       55.01381 
1 1 1 -5  45 3  o 80.328  31.581 0.9625  1.5735 7.9259  4.5685  0.0253  1.6760 173.780 55.218 71.053  30.634 102.7269       63.14624 
1 1 1 -5  45 4  o 67.461  29.294 -0.0811 1.5548 4.1656  4.0354  -0.8214 1.6849 136.424 51.356 63.384  28.798 73.04060       58.87918 
1 1 1 -5  45 5  o 86.952  31.965 1.4566  1.5459 1.0741  3.9423  1.5261  1.6805 110.684 47.337 89.555  33.252 21.12903       57.84885 
1 1 1 -5  45 6  o 130.482 33.005 4.0317  1.8251 0.4083  4.2493  4.8512  2.0209 109.132 47.886 142.920 33.902 -33.78748      58.67257 
1 1 1 -5  45 7  o 370.751 17.172 29.754  2.6962 30.590  5.3947  29.475  3.1129 361.865 35.666 367.040 20.103 -5.174683      40.94172 
1 1 1 -5  45 8  o 116.317 31.975 3.1977  1.6239 2.6135  3.7461  3.3328  1.8020 119.582 48.156 118.403 34.091 1.179741       59.00188 
1 1 1 -5  45 9  o 238.508 19.733 12.505  1.9753 14.906  4.1365  11.796  2.2481 246.871 41.004 229.897 23.418 16.97433       47.22042 
1 1 1 -5  45 10 o 151.938 27.484 5.3283  1.7034 7.1953  3.8451  4.8725  1.9000 164.511 50.420 143.172 32.126 21.33884       59.78488 
1 1 1 -5  45 11 o 81.131  30.456 1.2239  1.4173 -4.2109 3.2058  2.5443  1.5801 71.642  34.646 104.333 32.379 -32.69112      47.42114 
1 1 1 -5  45 12 o 107.777 31.447 2.7511  1.5243 0.4902  3.0625  3.4956  1.7574 94.921  41.166 120.483 33.322 -25.56273      52.96243 
1 1 1 -5  45 13 o 95.534  29.377 2.1219  1.3041 1.1231  2.5761  2.4660  1.5122 93.984  39.117 102.332 31.662 -8.348473      50.32488 
1 1 1 -5  45 14 o 73.803  28.447 0.9389  1.2568 -0.2026 1.9063  1.8165  1.6715 71.814  31.769 92.001  33.326 -20.18696      46.04214 
1 1 1 -5  45 15 o 111.025 26.576 2.9213  1.2329 0.7827  2.0010  4.2300  1.5653 82.380  34.397 133.136 28.615 -50.75591      44.74332 
1 1 1 -5  45 16 f 189.104 23.507 8.1718  1.8419 13.707  4.7063  7.1706  2.0015 218.887 51.611 174.361 28.058 44.52568       58.74503 
1 1 1 -5  45 17 o 128.365 26.575 3.9031  1.3971 6.4027  2.2043  2.2249  1.8062 161.026 33.419 98.041  34.744 62.98511       48.20762 
1 1 1 -5  46 1  o 207.010 23.013 9.5549  1.9833 7.8244  2.5065  12.453  3.2435 181.942 33.774 230.186 34.322 -48.24370      48.15238 
1 1 1 -5  46 2  o 395.886 17.355 33.978  2.9097 34.127  3.7089  33.740  4.6921 393.178 22.367 385.709 28.936 7.468903       36.57327 
1 1 1 -5  46 3  o 359.015 15.540 27.817  2.3627 26.029  3.8332  28.913  3.0005 340.115 26.831 363.541 19.561 -23.42627      33.20474 
1 1 1 -5  46 4  o 100.203 33.530 2.2582  1.6736 8.6565  4.7687  1.3594  1.7873 177.120 56.429 88.024  33.925 89.09507       65.84214 
1 1 1 -5  46 5  o 100.104 34.935 2.1977  1.8210 8.7103  4.1521  0.6466  2.0263 180.348 51.696 82.954  34.623 97.39453       62.21920 
1 1 1 -5  46 6  o 153.856 31.199 5.5759  1.9632 -0.4237 4.6091  6.9058  2.1699 106.625 48.115 171.771 30.969 -65.14649      57.22002 
1 1 1 -5  46 7  o 112.194 34.127 2.9860  1.7659 5.5080  3.8093  2.2956  1.9930 146.043 50.552 102.490 36.478 43.55341       62.33879 
1 1 1 -5  46 8  o 160.358 23.402 5.8042  1.5424 6.3628  2.6536  5.5192  1.8955 160.043 39.413 153.283 30.274 6.759369       49.69847 
1 1 1 -5  46 9  o 210.081 20.281 9.7665  1.7819 9.2567  2.8119  10.109  2.3034 196.507 35.075 210.724 26.390 -14.21664      43.89458 
1 1 1 -5  46 10 o 418.432 17.129 38.076  3.0353 43.378  4.1281  31.837  4.4785 442.830 22.012 373.127 28.559 69.70309       36.05793 
1 1 1 -5  46 11 o 140.070 26.373 4.5513  1.5070 5.9059  2.5624  3.8351  1.8633 153.134 39.312 125.419 34.158 27.71473       52.07826 
1 1 1 -5  46 12 o 136.044 26.288 4.3156  1.4597 5.0608  2.5591  3.9562  1.7772 140.387 40.686 127.398 32.758 12.98924       52.23383 
1 1 1 -5  46 13 o 130.058 26.452 3.9757  1.4073 0.7529  2.2981  5.9097  1.7802 86.139  36.465 158.728 27.478 -72.58914      45.65921 
1 1 1 -5  46 14 o 122.666 25.839 3.5466  1.2999 6.0182  2.1456  2.1132  1.6339 156.211 33.443 95.633  33.107 60.57754       47.05827 
1 1 1 -5  46 15 o 111.951 33.019 3.1036  1.6724 2.1129  2.2048  4.4460  2.5665 98.909  37.788 129.692 41.406 -30.78326      56.05702 
1 1 1 -5  46 16 o 156.628 29.239 5.8871  1.8681 0.0000  0.0000  5.8871  1.8681 ?       ?      156.628 29.239 0.000000       29.23902 
1 1 1 -5  47 1  o 107.312 31.788 2.7167  1.5472 7.7965  2.5089  -0.4009 1.9655 180.759 34.023 71.873  32.002 108.8860       46.70861 
1 1 1 -5  47 2  o 185.855 21.312 7.6907  1.6471 5.7549  2.5918  9.0022  2.1333 151.849 39.814 199.053 25.922 -47.20364      47.50927 
1 1 1 -5  47 3  o 255.799 22.486 14.566  2.4112 11.511  3.2916  18.104  3.5419 218.463 36.893 280.031 30.352 -61.56824      47.77370 
1 1 1 -5  47 4  o 256.266 22.523 14.627  2.4196 13.002  3.2789  16.570  3.5851 234.365 34.031 266.149 32.481 -31.78398      47.04438 
1 1 1 -5  47 5  o 258.657 22.281 14.891  2.4169 16.167  3.2891  13.394  3.5632 264.645 29.870 235.697 36.910 28.94768       47.48191 
1 1 1 -5  47 6  o 73.460  30.214 0.5795  1.5120 3.1029  2.5320  -0.8189 1.8849 115.570 41.118 66.844  30.404 48.72559       51.13812 
1 1 1 -5  47 7  o 92.978  34.308 1.7722  1.7833 -7.2156 4.4410  3.5000  1.9471 78.045  38.388 119.987 35.687 -41.94197      52.41372 
1 1 1 -5  47 8  o 87.987  30.953 1.6625  1.4309 0.2447  2.6293  2.2591  1.7056 87.157  37.970 99.564  33.847 -12.40637      50.86603 
1 1 1 -5  47 9  o 104.334 30.254 2.5857  1.4147 1.5114  2.4792  3.1044  1.7227 96.442  39.057 113.306 33.537 -16.86372      51.48012 
1 1 1 -5  47 10 o 127.753 29.830 3.9103  1.5846 7.6760  2.7741  2.0867  1.9305 174.620 38.545 97.839  35.758 76.78128       52.57682 
1 1 1 -5  47 11 o 115.932 29.639 3.2406  1.4608 0.0874  2.5844  4.7211  1.7708 84.249  37.144 139.798 30.747 -55.54991      48.21895 
1 1 1 -5  47 12 o 122.550 28.506 3.6075  1.4515 1.8925  2.5180  4.4611  1.7764 99.183  39.643 134.971 31.631 -35.78822      50.71560 
1 1 1 -5  47 13 o 157.878 22.716 5.7101  1.4751 7.5880  2.4527  4.6459  1.8463 174.763 34.365 137.068 32.330 37.69501       47.18245 
1 1 1 -5  47 14 o 95.083  28.678 2.1650  1.2509 4.5487  2.1159  0.8842  1.5510 133.035 36.469 76.604  30.938 56.43069       47.82369 
1 1 1 -5  47 15 o 86.732  32.510 1.5727  1.6137 1.0863  2.0953  2.2817  2.5299 85.900  35.475 102.522 40.123 -16.62237      53.55738 
1 1 1 -5  48 1  o 116.573 31.983 3.2705  1.6266 5.8842  2.6782  1.7429  2.0474 152.021 40.763 94.868  36.374 57.15269       54.63235 
1 1 1 -5  48 2  o 268.482 18.552 15.840  2.0964 12.533  3.8224  17.263  2.5071 222.770 42.059 278.681 21.407 -55.91124      47.19300 
1 1 1 -5  48 3  o 280.855 18.493 17.327  2.1873 23.968  4.3544  15.086  2.5295 319.052 32.689 259.259 23.287 59.79236       40.13572 
1 1 1 -5  48 4  o 165.437 24.128 6.2316  1.6407 11.594  2.9985  3.9402  1.9602 220.718 33.100 126.627 35.254 94.09137       48.35700 
1 1 1 -5  48 5  f 123.144 35.468 3.7299  1.9502 4.8664  2.7369  2.5578  2.7796 137.501 42.604 109.774 42.307 27.72736       60.04183 
1 1 1 -5  48 6  o 57.837  27.562 -2.0567 1.8669 -2.6323 2.5986  -1.4428 2.6837 68.233  32.517 75.995  35.189 -7.761497      47.91284 
1 1 1 -5  48 7  o 174.720 30.307 7.2415  2.1612 7.3928  2.6787  6.9593  3.6579 171.660 37.865 158.409 49.282 13.25116       62.14840 
1 1 1 -5  48 8  o 163.020 40.799 6.8894  2.8100 6.8894  2.8100  0.0000  0.0000 163.020 40.799 ?       ?      0.000000       40.79948 
1 1 1 -5  48 9  o 99.471  36.360 2.2255  1.9961 3.8323  2.4183  -1.2095 3.5359 122.410 40.281 87.819  40.568 34.59131       57.16911 
1 1 1 -5  48 10 o 125.072 35.458 3.9544  1.9643 3.4580  2.7284  4.4887  2.8305 117.351 42.567 129.801 43.605 -12.45051      60.93733 
1 1 1 -5  48 11 o 113.766 30.725 3.1788  1.5151 2.1907  2.8418  3.5711  1.7908 103.916 41.910 119.274 33.870 -15.35770      53.88492 
1 1 1 -5  48 12 o 47.200  22.702 -1.7457 1.3320 -5.9117 2.5672  -0.2111 1.5582 54.460  27.193 64.427  28.601 -9.967384      39.46482 
1 1 1 -5  48 13 o 173.189 20.187 6.7716  1.4528 9.3837  2.5368  5.4968  1.7722 196.289 31.589 151.156 28.736 45.13272       42.70370 
1 1 1 -5  48 14 o 229.640 18.438 11.741  1.7779 13.917  2.7508  10.181  2.3300 243.514 27.136 208.009 27.094 35.50439       38.34607 
1 1 1 -5  49 1  o 110.490 31.401 2.9663  1.5386 6.1783  2.4306  0.8189  1.9874 156.323 37.246 82.613  34.369 73.70998       50.68018 
1 1 1 -5  49 2  o 181.872 21.940 7.4738  1.6557 8.4834  2.9696  7.0184  1.9945 182.149 39.625 172.755 28.239 9.393936       48.65735 
1 1 1 -5  49 3  o 108.395 31.270 2.8488  1.5148 2.7311  3.0851  2.8862  1.7389 111.977 44.158 108.787 34.001 3.190247       55.73166 
1 1 1 -5  49 4  o 115.408 33.398 3.2829  1.7255 4.6417  3.5508  2.8628  1.9743 132.083 48.462 108.552 36.418 23.53138       60.62035 
1 1 1 -5  49 5  o 215.238 21.859 10.450  1.9648 6.7575  4.0995  11.551  2.2387 152.068 52.452 225.117 23.845 -73.04852      57.61827 
1 1 1 -5  49 6  o 89.355  33.224 1.6817  1.6787 7.0617  3.8073  0.3834  1.8703 156.155 50.492 76.108  32.578 80.04766       60.09027 
1 1 1 -5  49 7  o 90.159  33.530 1.7317  1.7100 3.1966  3.7767  1.3539  1.9178 118.227 48.087 87.236  34.685 30.99087       59.29101 
1 1 1 -5  49 8  o 79.273  31.917 0.9886  1.6451 1.7024  2.8659  0.6378  2.0091 99.567  41.334 80.341  34.058 19.22611       53.55796 
1 1 1 -5  49 9  o 165.330 25.383 6.3849  1.7204 5.0340  3.0111  7.0397  2.0963 134.827 44.975 170.699 30.098 -35.87215      54.11707 
1 1 1 -5  49 10 o 200.661 27.911 9.5401  2.3076 10.642  3.0838  8.1375  3.4785 204.443 36.980 168.801 46.952 35.64217       59.76601 
1 1 1 -5  49 11 f 74.853  32.365 0.3065  1.8815 -1.5207 2.5501  2.4895  2.7873 71.900  33.631 105.646 41.874 -33.74623      53.70742 
1 1 1 -5  49 12 o 177.336 31.077 7.6830  2.2488 8.2642  3.0757  7.0154  3.2963 174.604 42.089 156.334 46.418 18.26991       62.65884 
1 1 1 -5  50 1  o 69.149  29.520 0.2965  1.5282 -5.4139 2.4899  3.7475  1.9357 54.722  27.236 121.339 35.448 -66.61705      44.70285 
1 1 1 -5  50 2  o 194.811 21.797 8.6178  1.7675 9.8509  3.3351  8.1362  2.0842 192.298 42.120 185.808 27.301 6.490158       50.19386 
1 1 1 -5  50 3  o 188.222 22.500 8.0874  1.7579 12.002  3.2173  6.4213  2.0990 218.742 35.982 161.828 31.762 56.91440       47.99503 
1 1 1 -5  50 4  o 50.980  24.354 -1.6919 1.4764 -2.2238 2.8547  -1.4977 1.7250 72.936  34.563 57.661  27.186 15.27483       43.97368 
1 1 1 -5  50 5  o 260.514 19.647 15.185  2.1516 12.445  3.6872  16.600  2.6494 216.827 41.669 269.440 23.453 -52.61232      47.81599 
1 1 1 -5  50 6  o 104.444 33.693 2.6988  1.6961 4.5091  2.8091  1.6603  2.1276 128.588 43.438 92.256  36.579 36.33127       56.78849 
1 1 1 -5  50 7  o 147.755 30.659 5.3560  1.8556 6.2048  3.9623  5.1176  2.1001 143.324 51.389 141.376 35.210 1.948059       62.29423 
1 1 1 -5  50 8  o 52.676  25.468 -2.3362 1.7297 -1.1826 3.9123  -2.6165 1.9285 90.172  42.003 55.245  26.754 34.92662       49.80000 
1 1 1 -5  50 9  o 133.456 32.040 4.4571  1.7879 2.8583  3.4607  5.0392  2.0882 111.945 45.838 139.981 35.247 -28.03669      57.82304 
1 1 1 -5  50 10 o 256.316 20.009 14.777  2.1547 22.105  4.6635  12.788  2.4295 292.629 38.571 234.707 24.820 57.92159       45.86683 
1 1 1 -5  51 1  f 68.883  29.323 0.3454  1.5001 1.4629  2.4230  -0.3492 1.9101 92.533  38.176 69.365  31.168 23.16766       49.28326 
1 1 1 -5  51 2  o 60.526  27.239 -0.4005 1.4657 6.2383  3.1148  -2.2886 1.6611 147.840 45.392 51.458  24.898 96.38176       51.77197 
1 1 1 -5  51 3  o 54.479  25.516 -1.1568 1.4763 1.2871  2.8021  -2.0958 1.7369 94.339  40.116 54.087  25.992 40.25129       47.80032 
1 1 1 -5  51 4  f 84.547  32.339 1.4550  1.6160 1.4885  2.8703  1.4395  1.9553 96.559  40.808 87.675  34.970 8.883934       53.74178 
1 1 1 -5  51 5  o 88.372  32.483 1.7327  1.5963 3.0801  2.9789  1.1899  1.8907 111.771 43.595 84.031  34.081 27.74017       55.33593 
1 1 1 -5  51 6  o 92.831  32.796 2.0210  1.6081 0.1452  2.8666  2.8823  1.9425 86.164  38.486 106.849 36.122 -20.68510      52.78230 
1 1 1 -5  51 7  o 168.718 26.925 6.7728  1.8591 8.1665  3.2335  6.0846  2.2722 170.296 44.385 153.585 35.625 16.71086       56.91339 
1 1 1 -5  51 8  o 130.876 35.281 4.4387  1.9999 10.282  3.1137  0.3353  2.6093 198.247 38.475 84.463  37.276 113.7835       53.57119 
1 1 1 -4  0  1  o 1224.18 35.439 320.047 18.338 320.047 18.338  0.0000  0.0000 1224.18 35.439 1224.18 35.439 0.000000       0.000000 
1 1 1 -4  0  2  o 1292.83 25.414 355.437 13.902 354.712 19.730  356.151 19.592 1288.67 36.218 1291.39 35.887 -0.000000      0.000000 
1 1 1 -4  0  3  o 1151.29 24.340 281.849 11.855 279.759 16.875  283.886 16.659 1144.46 34.891 1153.09 34.182 -0.000000      0.000000 
1 1 1 -4  0  4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  0  5  o 947.548 22.480 190.915 9.0094 194.718 13.035  187.436 12.466 954.842 32.320 936.959 31.498 -0.000000      0.000000 
1 1 1 -4  0  6  o 354.197 18.866 26.839  2.8116 26.783  3.7310  26.911  4.2771 352.384 25.301 352.183 29.136 0.000000       0.000000 
1 1 1 -4  0  7  o 1308.26 22.376 363.726 12.389 356.783 18.989  368.872 16.348 1292.39 34.752 1315.77 29.372 -0.000000      0.000000 
1 1 1 -4  0  8  o 152.021 14.712 5.0357  0.9268 4.6334  1.4899  5.2896  1.1836 139.833 28.430 154.563 18.829 -0.000000      0.000000 
1 1 1 -4  0  9  o 120.916 19.775 3.3406  0.9313 3.3406  0.9313  0.0000  0.0000 120.916 19.775 120.916 19.775 -0.000000      0.000000 
1 1 1 -4  0  10 o 333.628 20.086 23.894  2.8143 23.894  2.8143  0.0000  0.0000 333.628 20.086 333.628 20.086 -0.000000      0.000000 
1 1 1 -4  0  11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  0  12 o 452.508 29.719 44.260  5.6388 44.260  5.6388  0.0000  0.0000 452.508 29.719 452.508 29.719 -0.000000      0.000000 
1 1 1 -4  0  13 o 82.187  36.741 2.0851  1.3602 2.0851  1.3602  0.0000  0.0000 82.187  36.741 82.187  36.741 -0.000000      0.000000 
1 1 1 -4  0  14 o 579.932 30.662 72.310  7.4825 72.310  7.4825  0.0000  0.0000 579.932 30.662 579.932 30.662 -0.000000      0.000000 
1 1 1 -4  0  15 o 480.247 30.590 49.697  6.1635 0.0000  0.0000  49.697  6.1635 480.247 30.590 480.247 30.590 0.000000       0.000000 
1 1 1 -4  0  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  0  17 o 295.915 31.699 19.240  3.8573 19.240  3.8573  0.0000  0.0000 295.915 31.699 295.915 31.699 -0.000000      0.000000 
1 1 1 -4  0  18 o 536.457 31.127 61.759  7.0171 61.759  7.0171  0.0000  0.0000 536.457 31.127 536.457 31.127 -0.000000      0.000000 
1 1 1 -4  0  19 o 290.973 32.192 18.642  3.8428 18.642  3.8428  0.0000  0.0000 290.973 32.192 290.973 32.192 -0.000000      0.000000 
1 1 1 -4  0  20 o 432.540 31.479 40.401  5.6961 40.401  5.6961  0.0000  0.0000 432.540 31.479 432.540 31.479 -0.000000      0.000000 
1 1 1 -4  0  21 o 1064.39 34.707 242.027 15.607 242.027 15.607  0.0000  0.0000 1064.39 34.707 1064.39 34.707 -0.000000      0.000000 
1 1 1 -4  0  22 o 222.220 36.726 11.339  3.1724 11.339  3.1724  0.0000  0.0000 222.220 36.726 222.220 36.726 -0.000000      0.000000 
1 1 1 -4  0  23 f 438.430 32.378 41.599  5.9364 41.599  5.9364  0.0000  0.0000 438.430 32.378 438.430 32.378 -0.000000      0.000000 
1 1 1 -4  0  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  0  25 o 131.962 46.894 4.9116  2.3874 0.0000  0.0000  4.9116  2.3874 131.962 46.894 131.962 46.894 0.000000       0.000000 
1 1 1 -4  0  26 o 324.272 33.697 23.220  4.5131 23.220  4.5131  0.0000  0.0000 324.272 33.697 324.272 33.697 -0.000000      0.000000 
1 1 1 -4  0  27 o 202.599 41.403 9.8442  3.1411 9.8442  3.1411  0.0000  0.0000 202.599 41.403 202.599 41.403 -0.000000      0.000000 
1 1 1 -4  0  28 o 216.003 41.048 11.072  3.3605 11.072  3.3605  0.0000  0.0000 216.003 41.048 216.003 41.048 -0.000000      0.000000 
1 1 1 -4  0  29 o 173.611 50.182 8.0035  3.2009 8.0035  3.2009  0.0000  0.0000 173.611 50.182 173.611 50.182 -0.000000      0.000000 
1 1 1 -4  0  30 o 415.435 34.788 38.213  6.0217 38.213  6.0217  0.0000  0.0000 415.435 34.788 415.435 34.788 -0.000000      0.000000 
1 1 1 -4  0  31 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  0  32 o 250.029 40.797 14.795  3.9744 14.795  3.9744  0.0000  0.0000 250.029 40.797 250.029 40.797 -0.000000      0.000000 
1 1 1 -4  1  1  o 780.470 22.265 129.602 7.3589 124.312 10.355  135.000 10.460 762.417 32.071 794.754 31.079 -32.33716      44.65885 
1 1 1 -4  1  2  o 831.141 15.850 146.631 5.5790 147.674 7.8504  145.568 7.9300 833.103 22.251 827.070 22.640 6.032532       31.74428 
1 1 1 -4  1  3  o 1088.04 16.790 251.362 7.7363 249.860 10.877  252.900 11.006 1083.30 23.708 1089.84 23.846 -6.534180      33.62640 
1 1 1 -4  1  4  o 921.459 32.018 181.599 12.494 0.0000  0.0000  181.599 12.494 ?       ?      921.459 32.018 0.000000       32.01808 
1 1 1 -4  1  5  o 1323.59 17.442 372.083 9.7769 371.904 13.670  372.271 13.989 1321.34 24.429 1321.81 24.990 -0.4705811     34.94701 
1 1 1 -4  1  6  o 1330.71 16.964 376.083 9.5600 369.722 13.381  382.715 13.663 1317.44 23.984 1340.36 24.070 -22.91956      33.97942 
1 1 1 -4  1  7  o 669.549 13.831 95.125  3.9218 99.265  6.1048  92.216  5.1175 683.006 21.106 658.706 18.345 24.29956       27.96433 
1 1 1 -4  1  8  o 139.648 13.646 4.1778  0.7967 4.4185  1.0453  3.8442  1.2307 143.122 17.617 132.496 22.754 10.62611       28.77672 
1 1 1 -4  1  9  o 439.601 18.586 41.106  3.4601 0.0000  0.0000  41.106  3.4601 ?       ?      439.601 18.586 0.000000       18.58611 
1 1 1 -4  1  10 o 355.738 16.046 26.900  2.4173 26.601  4.3677  27.031  2.9023 350.934 29.667 355.784 19.335 -4.850769      35.41132 
1 1 1 -4  1  11 o 357.940 29.657 27.726  4.4551 27.726  4.4551  0.0000  0.0000 357.940 29.657 ?       ?      0.000000       29.65728 
1 1 1 -4  1  12 o 513.022 30.211 56.849  6.5346 56.849  6.5346  0.0000  0.0000 513.022 30.211 ?       ?      0.000000       30.21086 
1 1 1 -4  1  13 o 182.368 31.542 7.3592  2.3479 7.3592  2.3479  0.0000  0.0000 182.368 31.542 ?       ?      0.000000       31.54193 
1 1 1 -4  1  14 o 257.124 21.108 14.186  2.2782 14.288  3.2455  14.087  3.1987 256.237 30.508 254.460 30.278 1.777237       42.98253 
1 1 1 -4  1  15 o 204.867 21.716 9.0357  1.8553 9.9497  2.6431  8.1480  2.6049 213.596 30.051 192.267 33.192 21.32935       44.77493 
1 1 1 -4  1  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  1  17 o 472.660 21.476 47.475  4.2987 47.455  6.1035  47.494  6.0554 470.694 30.789 470.938 30.527 -0.2439880     43.35709 
1 1 1 -4  1  18 o 477.866 21.624 48.516  4.3760 48.174  6.2053  48.853  6.1722 474.347 31.062 477.756 30.668 -3.409058      43.65064 
1 1 1 -4  1  19 o 500.625 21.808 53.259  4.6236 55.023  6.5710  51.528  6.5070 507.049 30.746 490.491 31.492 16.55777       44.01266 
1 1 1 -4  1  20 o 300.443 22.201 19.296  2.8047 20.783  3.9779  17.825  3.9553 310.606 30.640 286.967 33.157 23.63922       45.14629 
1 1 1 -4  1  21 o 565.025 22.166 67.918  5.3040 64.905  7.5212  70.899  7.4811 549.957 32.437 575.238 30.822 -25.28125      44.74519 
1 1 1 -4  1  22 o 175.123 25.470 6.6725  1.8336 5.1306  2.5698  8.2714  2.6169 151.633 39.591 193.909 33.053 -42.27664      51.57491 
1 1 1 -4  1  23 o 127.989 29.796 3.6424  1.5848 3.7852  2.2295  3.4965  2.2532 131.225 37.959 127.019 38.529 4.205467       54.08673 
1 1 1 -4  1  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  1  25 o 461.694 22.663 45.502  4.4312 41.840  6.2544  49.193  6.2789 439.315 33.879 477.357 31.232 -38.04208      46.07840 
1 1 1 -4  1  26 o 532.040 22.762 60.562  5.1286 67.833  7.2833  53.411  7.2230 559.869 30.837 495.168 34.663 64.70078       46.39491 
1 1 1 -4  1  27 o 276.086 23.631 16.472  2.7364 17.054  3.8598  15.884  3.8799 278.236 33.426 267.883 35.040 10.35315       48.42642 
1 1 1 -4  1  28 o 150.399 30.507 5.0806  1.8766 6.0076  2.8458  4.3673  2.4963 161.590 41.400 138.821 40.169 22.76895       57.68478 
1 1 1 -4  1  29 o 186.695 28.816 7.7579  2.2049 8.1441  3.1225  7.3738  3.1140 187.519 40.504 177.827 42.017 9.691895       58.36112 
1 1 1 -4  1  30 o 417.519 23.938 37.921  4.2150 35.232  5.8936  40.737  6.0306 396.144 35.507 427.401 33.589 -31.25629      48.87711 
1 1 1 -4  1  31 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  1  32 o 332.226 24.494 24.307  3.4218 26.740  4.7241  21.621  4.9632 343.401 32.886 304.179 39.459 39.22205       51.36626 
1 1 1 -4  2  1  o 1088.90 19.429 251.986 8.9594 251.633 15.351  252.169 11.034 1084.26 33.431 1088.26 23.941 -4.002441      41.11947 
1 1 1 -4  2  2  o 335.264 16.680 23.865  2.3682 24.850  2.8877  21.842  4.1388 341.322 20.066 318.199 31.112 23.12271       37.02156 
1 1 1 -4  2  3  o 890.416 15.735 168.287 5.9334 168.270 8.3355  168.305 8.4477 889.319 22.133 889.352 22.430 -0.3350830E-01 31.51089 
1 1 1 -4  2  4  o 629.276 29.197 84.550  7.7808 0.0000  0.0000  84.550  7.7808 ?       ?      629.276 29.197 0.000000       29.19693 
1 1 1 -4  2  5  o 638.605 14.147 86.527  3.8260 86.376  5.2735  86.695  5.5593 637.465 19.534 638.510 20.559 -1.044250      28.35972 
1 1 1 -4  2  6  o 601.888 17.559 76.958  4.4757 73.578  6.0671  80.993  6.6295 587.642 24.380 616.381 25.397 -28.73865      35.20491 
1 1 1 -4  2  7  o 847.737 17.122 152.669 6.1468 148.923 8.0996  157.756 9.4391 836.208 22.872 859.942 25.919 -23.73450      34.56768 
1 1 1 -4  2  8  o 215.678 13.111 9.9063  1.1918 10.370  1.6108  9.3455  1.7716 220.218 17.414 208.594 20.313 11.62372       26.75548 
1 1 1 -4  2  9  o 319.921 13.678 21.726  1.8531 21.159  2.8432  22.145  2.4434 314.427 21.481 322.204 17.979 -7.777008      28.01213 
1 1 1 -4  2  10 o 714.590 17.301 108.614 5.2355 110.756 9.0347  107.531 6.4241 718.462 29.694 710.180 21.360 8.282104       36.57829 
1 1 1 -4  2  11 o 342.499 16.871 24.964  2.4471 28.493  4.1717  23.112  3.0216 363.455 27.303 328.289 21.859 35.16550       34.97475 
1 1 1 -4  2  12 o 320.431 29.878 22.280  4.0077 22.280  4.0077  0.0000  0.0000 320.431 29.878 ?       ?      0.000000       29.87848 
1 1 1 -4  2  13 o 529.141 30.529 60.442  6.8121 60.442  6.8121  0.0000  0.0000 529.141 30.529 ?       ?      0.000000       30.52898 
1 1 1 -4  2  14 o 807.199 32.123 140.096 10.981 140.096 10.981  0.0000  0.0000 807.199 32.123 ?       ?      0.000000       32.12260 
1 1 1 -4  2  15 o 410.107 30.452 36.195  5.2510 36.195  5.2510  0.0000  0.0000 410.107 30.452 ?       ?      0.000000       30.45173 
1 1 1 -4  2  16 o 722.257 31.681 111.488 9.6901 111.488 9.6901  0.0000  0.0000 722.257 31.681 ?       ?      0.000000       31.68064 
1 1 1 -4  2  17 o 422.960 30.180 38.336  5.3704 0.0000  0.0000  38.336  5.3704 ?       ?      422.960 30.180 0.000000       30.18029 
1 1 1 -4  2  18 o 457.767 21.518 44.519  4.1714 40.347  5.9255  48.617  5.8733 433.687 32.500 476.827 29.226 -43.14035      43.70820 
1 1 1 -4  2  19 o 383.190 21.728 31.302  3.5115 34.365  5.0027  28.327  4.9300 400.442 29.712 362.911 32.419 37.53168       43.97477 
1 1 1 -4  2  20 o 822.550 22.984 143.900 8.0064 156.949 11.392  131.162 11.255 857.404 31.374 783.265 33.931 74.13873       46.21244 
1 1 1 -4  2  21 o 739.723 32.322 117.028 10.125 117.028 10.125  0.0000  0.0000 739.723 32.322 ?       ?      0.000000       32.32200 
1 1 1 -4  2  22 o 390.206 22.481 32.520  3.6992 36.333  5.1885  28.577  5.2756 411.206 30.002 363.457 34.696 47.74847       45.86877 
1 1 1 -4  2  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  2  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  2  25 o 220.516 25.185 10.531  2.3097 13.553  3.1735  7.1284  3.3680 249.335 30.704 177.297 44.830 72.03792       54.33675 
1 1 1 -4  2  26 o 409.344 22.768 35.959  3.9313 37.944  5.5964  34.025  5.5237 417.914 31.861 395.145 33.320 22.76865       46.10174 
1 1 1 -4  2  27 o 154.540 27.523 5.2960  1.7352 4.8292  2.4300  5.7818  2.4787 145.801 38.708 159.513 37.350 -13.71262      53.79000 
1 1 1 -4  2  28 o 339.304 23.198 24.856  3.3133 27.670  4.7043  22.086  4.6674 355.260 31.599 315.634 35.536 39.62589       47.55272 
1 1 1 -4  2  29 o 317.471 24.226 21.907  3.2325 19.018  4.4287  25.202  4.7291 290.775 36.787 336.790 33.606 -46.01529      49.82636 
1 1 1 -4  2  30 o 381.580 23.762 31.682  3.8207 35.088  5.3135  28.035  5.4979 397.506 31.831 351.911 37.467 45.59485       49.16294 
1 1 1 -4  2  31 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  2  32 o 146.034 30.322 4.9122  1.8139 5.7030  2.3571  3.7638  2.8404 155.374 36.451 128.394 43.678 26.97945       56.89001 
1 1 1 -4  3  1  o 350.177 20.674 26.163  3.0523 0.0000  0.0000  26.163  3.0523 ?       ?      350.177 20.674 0.000000       20.67406 
1 1 1 -4  3  2  o 622.245 20.787 82.331  5.4778 79.460  7.5720  85.485  7.9342 610.031 29.310 632.681 29.612 -22.65039      41.66503 
1 1 1 -4  3  3  o 460.351 16.140 44.988  3.1465 45.840  5.1970  44.495  3.9535 462.924 26.621 457.474 20.406 5.449829       33.54277 
1 1 1 -4  3  4  o 1152.42 18.691 282.183 9.1220 293.056 15.120  275.961 11.438 1171.07 30.488 1138.44 23.725 32.62366       38.63142 
1 1 1 -4  3  5  o 303.483 18.239 19.638  2.3332 19.203  3.0288  20.273  3.6591 299.311 24.099 306.872 28.481 -7.561371      37.30858 
1 1 1 -4  3  6  o 1410.86 19.101 423.123 11.412 406.594 18.494  433.288 14.503 1378.37 31.682 1426.11 24.014 -47.73816      39.75485 
1 1 1 -4  3  7  f 686.836 15.927 100.175 4.6328 103.645 6.1287  95.549  7.0766 697.940 20.735 669.402 24.963 28.53754       32.45132 
1 1 1 -4  3  8  o 228.972 13.019 11.160  1.2572 10.950  1.7252  11.398  1.8358 226.227 18.160 230.743 18.954 -4.516342      26.24986 
1 1 1 -4  3  9  o 322.952 13.470 22.139  1.8423 20.962  2.7500  23.097  2.4815 313.037 20.863 329.079 17.873 -16.04288      27.47207 
1 1 1 -4  3  10 o 354.997 14.600 26.772  2.1949 26.583  3.5913  26.885  2.7731 351.922 24.245 354.916 18.514 -2.993378      30.50523 
1 1 1 -4  3  11 f 272.870 16.115 15.893  1.8539 18.768  3.0977  14.289  2.3141 295.054 25.027 257.865 21.383 37.18896       32.91833 
1 1 1 -4  3  12 o 260.739 18.399 14.556  2.0186 10.532  3.1833  17.262  2.6106 217.822 35.750 283.443 21.919 -65.62077      41.93428 
1 1 1 -4  3  13 o 111.810 29.928 2.7810  1.4451 2.7810  1.4451  0.0000  0.0000 111.810 29.928 ?       ?      0.000000       29.92774 
1 1 1 -4  3  14 o 1083.47 33.992 252.809 15.597 252.809 15.597  0.0000  0.0000 1083.47 33.992 ?       ?      0.000000       33.99154 
1 1 1 -4  3  15 o 715.305 31.307 109.581 9.4837 109.581 9.4837  0.0000  0.0000 715.305 31.307 ?       ?      0.000000       31.30696 
1 1 1 -4  3  16 o 284.066 30.532 17.426  3.6153 17.426  3.6153  0.0000  0.0000 284.066 30.532 ?       ?      0.000000       30.53183 
1 1 1 -4  3  17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  3  18 o 485.421 21.398 50.058  4.3987 51.461  6.2686  48.697  6.1740 490.449 30.330 476.980 30.728 13.46893       43.17555 
1 1 1 -4  3  19 o 483.503 21.539 49.675  4.4104 54.413  6.2861  45.082  6.1894 504.409 29.557 458.533 32.076 45.87689       43.61741 
1 1 1 -4  3  20 o 421.548 21.700 37.877  3.8608 41.503  5.4930  34.337  5.4275 440.112 29.644 399.650 32.346 40.46219       43.87493 
1 1 1 -4  3  21 o 645.318 31.723 89.037  8.6694 89.037  8.6694  0.0000  0.0000 645.318 31.723 ?       ?      0.000000       31.72261 
1 1 1 -4  3  22 o 639.904 22.534 87.176  6.1065 83.726  8.5924  90.697  8.6801 624.447 32.605 651.025 31.483 -26.57794      45.32436 
1 1 1 -4  3  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  3  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  3  25 o 644.631 22.933 88.735  6.2605 92.871  8.7985  84.493  8.9100 657.004 31.623 625.116 33.782 31.88806       46.27348 
1 1 1 -4  3  26 o 295.116 23.955 18.775  2.9680 18.562  4.0641  19.020  4.3447 290.949 33.602 293.952 35.629 -3.003143      48.97485 
1 1 1 -4  3  27 o 209.557 25.629 9.5809  2.2270 12.527  2.9715  5.8055  3.3639 238.860 30.040 159.575 46.762 79.28477       55.57944 
1 1 1 -4  3  28 o 237.237 24.543 12.243  2.4301 12.615  3.3582  11.833  3.5209 237.959 34.316 229.228 37.571 8.730759       50.88431 
1 1 1 -4  3  29 o 387.602 23.507 32.558  3.8403 38.584  5.3495  26.151  5.5163 418.961 30.357 340.365 38.972 78.59668       49.40004 
1 1 1 -4  3  30 o 139.458 30.146 4.4287  1.7285 5.5989  2.2339  2.6827  2.7287 155.855 34.733 116.537 42.524 39.31769       54.90607 
1 1 1 -4  3  31 o 288.853 24.871 18.331  3.0127 15.429  4.0731  21.836  4.4767 258.471 38.376 310.439 34.643 -51.96851      51.69912 
1 1 1 -4  3  32 o 179.661 28.181 7.2989  2.0736 7.6974  2.7229  6.7488  3.1994 180.897 36.795 166.059 44.565 14.83795       57.79189 
1 1 1 -4  4  1  o 453.159 20.483 43.661  3.9308 0.0000  0.0000  43.661  3.9308 ?       ?      453.159 20.483 0.000000       20.48263 
1 1 1 -4  4  2  o 555.567 20.076 65.614  4.7234 66.449  6.4372  64.640  6.9523 558.170 27.232 549.305 30.000 8.865356       40.51652 
1 1 1 -4  4  3  o 542.193 26.278 62.670  6.0339 62.670  6.0339  0.0000  0.0000 542.193 26.278 ?       ?      0.000000       26.27844 
1 1 1 -4  4  4  o 647.563 18.660 89.103  5.1173 90.137  7.0657  87.962  7.4213 650.302 25.656 642.131 27.291 8.171570       37.45703 
1 1 1 -4  4  5  o 754.629 25.545 121.396 8.1637 121.396 8.1637  0.0000  0.0000 754.629 25.545 ?       ?      0.000000       25.54538 
1 1 1 -4  4  6  o 856.168 17.790 155.746 6.4503 149.814 8.7180  162.921 9.5883 838.414 24.554 873.998 25.905 -35.58405      35.69257 
1 1 1 -4  4  7  o 720.404 12.795 110.098 3.9035 105.760 6.4473  112.608 4.9046 704.851 21.599 728.199 15.904 -23.34827      26.82290 
1 1 1 -4  4  8  f 327.966 13.064 22.824  1.8144 22.434  2.5217  23.243  2.6127 324.294 18.438 330.061 18.769 -5.766724      26.31042 
1 1 1 -4  4  9  o 349.107 12.815 25.865  1.8946 27.287  2.6559  24.392  2.7034 358.225 17.507 338.038 18.961 20.18723       25.80728 
1 1 1 -4  4  10 o 396.592 12.800 33.390  2.1498 33.935  3.6981  33.112  2.6421 398.221 22.014 394.671 15.808 3.550232       27.10186 
1 1 1 -4  4  11 o 239.232 13.937 12.202  1.4059 11.567  2.4843  12.501  1.7052 230.960 25.842 241.797 16.756 -10.83722      30.79867 
1 1 1 -4  4  12 o 593.890 15.247 75.007  3.8347 74.905  7.0098  75.051  4.5810 590.462 28.033 593.514 18.226 -3.052002      33.43676 
1 1 1 -4  4  13 o 355.890 20.309 27.096  3.0482 26.069  4.2560  28.177  4.3677 347.160 29.220 361.117 28.800 -13.95731      41.02742 
1 1 1 -4  4  14 o 840.819 22.124 150.762 7.8778 141.534 11.102  160.121 11.181 811.450 32.306 863.765 30.565 -52.31506      44.47329 
1 1 1 -4  4  15 o 355.856 29.428 27.259  4.3951 27.259  4.3951  0.0000  0.0000 355.856 29.428 ?       ?      0.000000       29.42824 
1 1 1 -4  4  16 o 481.600 20.875 49.305  4.2576 47.454  6.0489  51.122  5.9938 470.463 30.525 488.648 29.096 -18.18542      42.17044 
1 1 1 -4  4  17 o 860.081 31.589 157.823 11.506 0.0000  0.0000  157.823 11.506 ?       ?      860.081 31.589 0.000000       31.58915 
1 1 1 -4  4  18 o 248.352 31.052 13.351  3.1945 13.351  3.1945  0.0000  0.0000 248.352 31.052 ?       ?      0.000000       31.05164 
1 1 1 -4  4  19 o 836.806 18.457 148.661 6.5407 162.213 11.454  142.102 7.9675 872.049 31.014 817.550 23.013 54.49896       38.61939 
1 1 1 -4  4  20 o 266.455 17.950 15.143  2.0137 12.329  3.4917  16.545  2.4650 237.435 35.841 278.211 21.078 -40.77547      41.57987 
1 1 1 -4  4  21 o 416.226 17.565 36.794  3.0962 34.170  5.4076  38.074  3.7764 398.415 32.329 423.123 21.075 -24.70798      38.59153 
1 1 1 -4  4  22 o 785.711 22.892 131.458 7.6170 140.044 10.796  122.947 10.749 808.931 31.514 757.422 33.510 51.50897       46.00007 
1 1 1 -4  4  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  4  24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  4  25 o 568.194 22.758 68.940  5.4761 66.835  7.6690  71.130  7.8219 556.056 32.711 573.842 32.318 -17.78625      45.98346 
1 1 1 -4  4  26 f 241.270 24.625 12.605  2.4808 10.001  3.3320  15.843  3.7163 211.052 38.706 268.542 33.400 -57.48994      51.12387 
1 1 1 -4  4  27 o 564.012 22.960 68.234  5.4840 64.825  7.6413  71.855  7.8749 544.982 33.268 574.246 32.516 -29.26422      46.51917 
1 1 1 -4  4  28 o 422.250 23.202 38.445  4.1331 38.221  5.7404  38.686  5.9558 417.334 32.743 419.394 33.821 -2.060059      47.07340 
1 1 1 -4  4  29 o 406.480 23.156 35.782  3.9695 37.899  5.5015  33.483  5.7332 414.478 31.580 387.498 35.325 26.97977       47.38310 
1 1 1 -4  4  30 o 212.773 36.624 10.372  3.1810 10.372  3.1810  0.0000  0.0000 212.773 36.624 ?       ?      0.000000       36.62391 
1 1 1 -4  4  31 o 351.388 23.930 27.010  3.5398 27.238  4.8320  26.747  5.2005 347.824 33.207 342.645 36.396 5.178955       49.26842 
1 1 1 -4  4  32 o 393.084 23.824 33.926  3.9473 31.059  5.3849  37.257  5.8031 368.639 34.909 404.566 34.191 -35.92688      48.86382 
1 1 1 -4  5  1  o 1180.36 33.626 298.336 16.809 0.0000  0.0000  298.336 16.809 ?       ?      1180.36 33.626 0.000000       33.62612 
1 1 1 -4  5  2  o 269.098 27.268 15.601  3.0646 0.0000  0.0000  15.601  3.0646 ?       ?      269.098 27.268 0.000000       27.26788 
1 1 1 -4  5  3  o 979.429 28.893 204.825 11.984 204.825 11.984  0.0000  0.0000 979.429 28.893 ?       ?      0.000000       28.89303 
1 1 1 -4  5  4  o 384.884 24.165 31.677  3.9188 31.677  3.9188  0.0000  0.0000 384.884 24.165 ?       ?      0.000000       24.16531 
1 1 1 -4  5  5  o 546.812 23.422 63.680  5.4238 63.680  5.4238  0.0000  0.0000 546.812 23.422 ?       ?      0.000000       23.42193 
1 1 1 -4  5  6  o 1237.62 20.461 325.833 10.724 323.812 14.615  328.190 15.784 1231.30 28.028 1238.78 30.088 -7.482666      41.11990 
1 1 1 -4  5  7  o 303.249 10.964 19.500  1.4081 20.078  2.3581  19.179  1.7553 306.797 18.232 300.624 13.788 6.172150       22.85832 
1 1 1 -4  5  8  o 786.040 12.672 131.097 4.2182 142.095 7.2259  125.411 5.1954 816.915 20.887 768.343 15.967 48.57196       26.29047 
1 1 1 -4  5  9  f 62.958  11.918 0.8688  0.3061 0.8092  0.4069  0.9464  0.4646 60.593  15.723 65.478  16.702 -4.884781      22.93855 
1 1 1 -4  5  10 o 799.309 12.077 135.602 4.0879 133.418 5.6230  138.052 5.9535 791.979 16.765 805.463 17.454 -13.48419      24.20131 
1 1 1 -4  5  11 o 488.415 15.513 50.731  3.2086 51.319  4.9622  50.309  4.2062 489.778 23.924 485.603 20.454 4.175507       31.47530 
1 1 1 -4  5  12 o 400.983 19.113 34.278  3.2456 34.689  4.2772  33.720  4.9833 401.597 25.278 394.661 30.042 6.935364       39.26202 
1 1 1 -4  5  13 o 582.412 15.365 72.114  3.7897 73.464  6.7227  71.485  4.5882 585.365 27.119 579.307 18.702 6.057922       32.94246 
1 1 1 -4  5  14 o 478.625 20.411 48.793  4.1371 50.553  5.7070  46.845  6.0060 485.169 27.894 466.310 30.583 18.85883       41.39277 
1 1 1 -4  5  15 o 248.320 29.554 13.364  3.0469 13.364  3.0469  0.0000  0.0000 248.320 29.554 ?       ?      0.000000       29.55406 
1 1 1 -4  5  16 o 491.562 20.878 51.362  4.3462 51.498  6.1039  51.221  6.1900 490.408 29.528 488.986 30.037 1.421753       42.12048 
1 1 1 -4  5  17 o 538.552 30.138 62.023  6.8461 0.0000  0.0000  62.023  6.8461 ?       ?      538.552 30.138 0.000000       30.13808 
1 1 1 -4  5  18 o 299.548 20.982 19.153  2.6449 21.328  3.7424  16.983  3.7384 315.199 28.339 280.376 32.061 34.82336       42.79075 
1 1 1 -4  5  19 o 768.437 22.114 125.509 7.1966 126.764 10.248  124.289 10.108 770.789 31.396 763.252 31.272 7.537598       44.31328 
1 1 1 -4  5  20 o 1014.82 23.512 219.114 10.105 212.908 14.384  225.160 14.198 997.740 34.043 1026.45 32.663 -28.71155      47.17847 
1 1 1 -4  5  21 o 453.755 17.632 43.731  3.3883 44.790  5.8348  43.192  4.1619 456.871 30.329 450.586 21.811 6.284241       37.35752 
1 1 1 -4  5  22 o 362.017 30.918 28.237  4.6947 28.237  4.6947  0.0000  0.0000 362.017 30.918 ?       ?      0.000000       30.91843 
1 1 1 -4  5  23 o 785.380 32.639 132.214 10.856 0.0000  0.0000  132.214 10.856 ?       ?      785.380 32.639 0.000000       32.63911 
1 1 1 -4  5  24 o 1020.51 33.505 223.760 14.480 0.0000  0.0000  223.760 14.480 ?       ?      1020.51 33.505 0.000000       33.50504 
1 1 1 -4  5  25 o 1010.40 19.579 217.555 8.3777 224.341 14.602  214.226 10.229 1019.61 33.818 1000.98 24.129 18.63324       41.54362 
1 1 1 -4  5  26 o 409.709 22.635 36.032  3.9121 39.239  5.4709  32.677  5.5964 425.288 30.580 386.599 34.546 38.68881       46.13680 
1 1 1 -4  5  27 o 577.266 22.884 71.484  5.5943 70.162  7.7756  72.902  8.0548 567.340 32.498 578.071 33.040 -10.73126      46.34364 
1 1 1 -4  5  28 o 381.485 23.148 31.405  3.7219 29.769  5.1366  33.213  5.4006 367.691 33.350 388.616 33.132 -20.92505      47.00988 
1 1 1 -4  5  29 o 384.357 23.270 32.023  3.7698 38.934  5.2573  24.709  5.4085 420.990 29.678 330.212 39.457 90.77802       49.37284 
1 1 1 -4  5  30 o 404.352 32.883 36.443  5.5820 36.443  5.5820  0.0000  0.0000 404.352 32.883 ?       ?      0.000000       32.88268 
1 1 1 -4  5  31 o 208.043 25.980 9.6101  2.2391 11.170  3.0363  7.7503  3.3150 221.413 33.423 179.398 43.974 42.01477       55.23405 
1 1 1 -4  5  32 o 198.398 42.036 9.4769  3.4221 0.0000  0.0000  9.4769  3.4221 ?       ?      198.398 42.036 0.000000       42.03616 
1 1 1 -4  6  1  o 591.756 19.542 74.437  4.8972 77.595  6.8212  71.077  7.0352 603.166 26.704 576.938 28.794 26.22845       39.27091 
1 1 1 -4  6  2  o 1257.56 32.911 338.561 17.527 0.0000  0.0000  338.561 17.527 ?       ?      1257.56 32.911 0.000000       32.91093 
1 1 1 -4  6  3  o 735.654 27.276 115.471 8.4978 0.0000  0.0000  115.471 8.4978 ?       ?      735.654 27.276 0.000000       27.27641 
1 1 1 -4  6  4  o 524.786 24.127 58.671  5.3621 58.671  5.3621  0.0000  0.0000 524.786 24.127 ?       ?      0.000000       24.12740 
1 1 1 -4  6  5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  6  6  o 832.706 13.918 147.147 4.9080 133.174 8.0822  155.310 6.1774 790.444 24.144 855.020 17.060 -64.57568      29.56350 
1 1 1 -4  6  7  o 782.487 12.731 129.903 4.2188 134.734 7.1941  127.370 5.2084 795.494 21.355 774.401 15.882 21.09375       26.61307 
1 1 1 -4  6  8  o 177.375 9.4876 6.6888  0.7101 6.1487  1.0210  7.1948  0.9882 169.574 14.353 183.692 12.783 -14.11865      19.21993 
1 1 1 -4  6  9  o 366.204 9.7565 28.436  1.5131 29.673  2.0578  26.980  2.2324 373.882 12.997 356.383 14.792 17.49942       19.69028 
1 1 1 -4  6  10 o 693.438 13.555 102.134 3.9807 103.381 4.5952  98.384  7.9681 697.318 15.561 677.253 27.782 20.06433       31.84274 
1 1 1 -4  6  11 o 614.626 18.351 80.482  4.7765 80.955  6.1857  79.783  7.5174 615.164 23.744 609.129 29.142 6.035339       37.59013 
1 1 1 -4  6  12 o 517.379 14.173 56.890  3.1053 57.686  5.4112  56.499  3.7918 519.058 24.617 515.120 17.382 3.937622       30.13498 
1 1 1 -4  6  13 o 495.133 14.796 52.101  3.1026 48.612  5.3937  53.827  3.7928 475.532 26.894 502.852 17.811 -27.31989      32.25660 
1 1 1 -4  6  14 o 955.040 22.177 194.445 8.9694 197.396 12.163  190.927 13.280 959.604 29.930 942.391 33.275 17.21210       44.75516 
1 1 1 -4  6  15 o 348.817 27.924 26.143  4.0904 26.143  4.0904  0.0000  0.0000 348.817 27.924 ?       ?      0.000000       27.92407 
1 1 1 -4  6  16 o 778.794 31.540 129.530 10.402 0.0000  0.0000  129.530 10.402 ?       ?      778.794 31.540 0.000000       31.54043 
1 1 1 -4  6  17 o 750.871 21.834 119.809 6.9430 122.975 9.7097  116.497 9.9318 759.498 30.188 738.961 31.737 20.53693       43.80131 
1 1 1 -4  6  18 o 669.663 21.598 95.281  6.1252 96.925  8.5994  93.588  8.7267 674.332 30.113 662.476 31.106 11.85596       43.29362 
1 1 1 -4  6  19 o 817.138 22.386 141.944 7.7467 141.794 10.908  142.098 11.004 815.114 31.598 815.937 31.846 -0.8230591     44.86226 
1 1 1 -4  6  20 o 795.942 22.313 134.736 7.5211 132.565 10.622  136.919 10.651 787.716 31.841 800.642 31.413 -12.92542      44.72852 
1 1 1 -4  6  21 o 395.277 21.347 33.331  3.5602 29.450  5.0237  37.246  5.0462 369.624 32.421 416.711 28.771 -47.08783      43.34644 
1 1 1 -4  6  22 f 461.681 21.290 45.359  4.1626 46.023  5.9206  44.710  5.8537 462.897 30.370 456.193 30.475 6.703674       43.02440 
1 1 1 -4  6  23 o 485.275 31.988 50.670  6.5370 0.0000  0.0000  50.670  6.5370 ?       ?      485.275 31.988 0.000000       31.98813 
1 1 1 -4  6  24 o 820.070 31.928 144.343 11.088 0.0000  0.0000  144.343 11.088 ?       ?      820.070 31.928 0.000000       31.92756 
1 1 1 -4  6  25 o 240.231 19.641 12.381  1.9807 15.818  3.4986  10.760  2.4029 269.358 31.251 222.685 25.968 46.67270       40.63193 
1 1 1 -4  6  26 o 277.604 18.860 16.516  2.2041 22.223  3.8713  13.780  2.6810 319.876 28.890 252.130 25.457 67.74678       38.50583 
1 1 1 -4  6  27 o 349.340 18.467 26.135  2.7223 31.575  4.7604  23.491  3.3184 380.830 29.753 329.869 23.917 50.96082       38.17412 
1 1 1 -4  6  28 o 257.059 19.233 14.222  2.0786 13.083  3.6030  14.790  2.5447 241.516 36.354 261.219 23.246 -19.70334      43.15115 
1 1 1 -4  6  29 o 368.641 32.819 30.160  5.0700 30.160  5.0700  0.0000  0.0000 368.641 32.819 ?       ?      0.000000       32.81910 
1 1 1 -4  6  30 o 442.531 32.665 43.601  6.0785 43.601  6.0785  0.0000  0.0000 442.531 32.665 ?       ?      0.000000       32.66536 
1 1 1 -4  6  31 o 402.131 23.737 35.354  4.0245 34.994  5.5225  35.762  5.8771 394.099 33.404 397.036 35.322 -2.937073      48.61555 
1 1 1 -4  6  32 o 149.698 44.862 5.4531  3.0684 0.0000  0.0000  5.4531  3.0684 ?       ?      149.698 44.862 0.000000       44.86200 
1 1 1 -4  7  1  o 674.403 19.378 96.686  5.5345 99.082  7.7341  94.170  7.9234 681.490 26.798 664.120 28.172 17.36945       38.88216 
1 1 1 -4  7  2  o 700.369 18.941 104.256 5.6179 102.297 7.8254  106.339 8.0699 692.481 26.684 705.967 26.992 -13.48590      37.95574 
1 1 1 -4  7  3  o 663.864 26.145 93.995  7.3503 0.0000  0.0000  93.995  7.3503 ?       ?      663.864 26.145 0.000000       26.14469 
1 1 1 -4  7  4  o 829.370 26.918 146.792 9.4543 0.0000  0.0000  146.792 9.4543 ?       ?      829.370 26.918 0.000000       26.91768 
1 1 1 -4  7  5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  7  6  o 286.427 13.688 17.410  1.6603 16.976  2.2953  17.886  2.4047 281.871 19.345 289.313 19.744 -7.441101      27.64194 
1 1 1 -4  7  7  o 642.154 14.327 87.541  3.8962 86.376  5.5409  88.681  5.4798 637.001 20.540 645.526 20.045 -8.524475      28.70015 
1 1 1 -4  7  8  o 360.713 10.856 27.596  1.6583 27.588  2.0481  27.610  2.8255 360.511 13.415 359.766 18.609 0.7452087      22.94027 
1 1 1 -4  7  9  o 399.013 11.471 33.780  1.9383 34.291  2.2677  32.397  3.7345 401.873 13.324 388.953 22.771 12.91980       26.38326 
1 1 1 -4  7  10 o 765.269 13.679 124.416 4.4330 127.071 5.1777  117.123 8.5800 772.964 15.817 738.839 27.422 34.12476       31.65644 
1 1 1 -4  7  11 o 646.437 13.371 88.777  3.6605 86.620  6.1595  89.955  4.5515 636.521 22.850 650.145 16.531 -13.62360      28.20289 
1 1 1 -4  7  12 o 304.703 13.852 19.728  1.7874 19.186  3.0325  20.016  2.2127 298.485 24.198 306.168 17.134 -7.683655      29.65023 
1 1 1 -4  7  13 o 542.011 14.673 62.422  3.3680 57.121  5.8195  65.092  4.1300 515.744 26.736 553.054 17.633 -37.31073      32.02766 
1 1 1 -4  7  14 o 416.628 15.072 36.865  2.6593 35.910  4.5224  37.371  3.2878 409.125 26.240 419.151 18.522 -10.02527      32.11894 
1 1 1 -4  7  15 o 413.326 26.913 36.598  4.6851 36.598  4.6851  0.0000  0.0000 413.326 26.913 ?       ?      0.000000       26.91270 
1 1 1 -4  7  16 o 643.216 30.916 88.310  8.4213 0.0000  0.0000  88.310  8.4213 ?       ?      643.216 30.916 0.000000       30.91550 
1 1 1 -4  7  17 o 1542.50 26.852 506.509 17.540 516.099 24.372  496.206 25.263 1553.29 37.051 1522.15 39.191 31.14380       53.93255 
1 1 1 -4  7  18 o 1033.01 23.368 226.871 10.223 228.216 14.249  225.445 14.675 1034.12 32.537 1027.52 33.724 6.595337       46.86113 
1 1 1 -4  7  19 o 628.601 21.498 83.979  5.7230 82.335  7.9967  85.704  8.1939 621.277 30.394 633.838 30.526 -12.56067      43.07680 
1 1 1 -4  7  20 o 850.564 22.599 153.896 8.1403 158.182 11.433  149.489 11.593 860.497 31.374 836.192 32.738 24.30518       45.34370 
1 1 1 -4  7  21 o 457.140 21.380 44.456  4.1390 42.046  5.8262  46.912  5.8812 442.330 31.304 467.645 29.852 -25.31552      43.25652 
1 1 1 -4  7  22 o 1103.93 24.194 259.728 11.311 253.244 15.943  266.297 16.049 1086.36 34.653 1114.28 34.010 -27.91675      48.55450 
1 1 1 -4  7  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  7  24 o 834.107 32.243 149.422 11.389 0.0000  0.0000  149.422 11.389 ?       ?      834.107 32.243 0.000000       32.24310 
1 1 1 -4  7  25 o 523.494 17.987 58.359  3.9877 63.471  6.9559  55.856  4.8669 542.287 30.412 511.333 22.475 30.95416       37.81541 
1 1 1 -4  7  26 o 298.413 18.678 19.073  2.3486 20.167  4.0638  18.524  2.8778 303.632 32.090 293.124 23.377 10.50809       39.70246 
1 1 1 -4  7  27 o 495.948 18.136 52.523  3.8092 59.134  6.6274  49.262  4.6549 521.585 30.132 479.097 22.943 42.48798       37.87220 
1 1 1 -4  7  28 o 401.145 18.280 34.419  3.1054 32.376  5.3647  35.449  3.8083 383.285 33.384 405.537 22.260 -22.25168      40.12454 
1 1 1 -4  7  29 o 311.290 22.554 21.027  2.9531 20.122  4.2556  21.868  4.1013 299.889 34.116 314.076 31.250 -14.18762      46.26503 
1 1 1 -4  7  30 o 191.670 27.559 8.1859  2.1726 11.915  2.9874  3.9991  3.1654 230.393 31.439 134.407 46.106 95.98575       55.80502 
1 1 1 -4  7  31 o 476.097 23.299 49.379  4.6977 52.384  6.5365  46.170  6.7560 483.434 32.110 450.839 35.677 32.59448       47.99899 
1 1 1 -4  7  32 f 103.448 39.697 1.9197  2.4400 0.0000  0.0000  1.9197  2.4400 ?       ?      103.448 39.697 0.000000       39.69734 
1 1 1 -4  8  1  o 579.519 18.620 71.381  4.5697 74.946  6.3626  67.584  6.5673 592.863 25.342 562.634 27.562 30.22845       37.44190 
1 1 1 -4  8  2  o 495.462 17.796 52.159  3.7341 52.972  5.2278  51.312  5.3356 498.510 24.763 489.831 25.812 8.679047       35.76958 
1 1 1 -4  8  3  o 610.240 17.755 79.125  4.5883 77.387  6.4000  80.963  6.5816 602.468 25.084 616.205 25.221 -13.73749      35.57119 
1 1 1 -4  8  4  o 259.644 24.021 14.487  2.6114 0.0000  0.0000  14.487  2.6114 ?       ?      259.644 24.021 0.000000       24.02129 
1 1 1 -4  8  5  o 1186.82 28.546 301.074 14.347 0.0000  0.0000  301.074 14.347 ?       ?      1186.82 28.546 0.000000       28.54583 
1 1 1 -4  8  6  o 754.369 16.211 120.886 5.1790 0.0000  0.0000  120.886 5.1790 ?       ?      754.369 16.211 0.000000       16.21133 
1 1 1 -4  8  7  o 889.649 13.705 168.005 5.1636 178.750 9.4070  163.372 6.1774 915.251 24.270 876.785 16.637 38.46600       29.42469 
1 1 1 -4  8  8  o 228.294 10.761 11.054  1.0403 9.7628  1.8182  11.683  1.2685 213.128 20.393 234.263 12.835 -21.13596      24.09617 
1 1 1 -4  8  9  f 371.698 11.177 29.314  1.7594 30.515  2.9299  28.636  2.2003 378.604 18.274 367.153 14.151 11.45074       23.11244 
1 1 1 -4  8  10 o 510.691 12.038 55.369  2.6035 54.171  4.2112  56.111  3.3123 504.022 19.729 513.696 15.226 -9.674927      24.92134 
1 1 1 -4  8  11 o 461.026 12.413 45.136  2.4235 47.198  4.0256  43.964  3.0351 470.319 20.211 454.597 15.765 15.72220       25.63290 
1 1 1 -4  8  12 o 507.678 13.623 54.755  2.9290 50.001  4.9972  57.243  3.6150 482.756 24.523 518.692 16.457 -35.93585      29.53376 
1 1 1 -4  8  13 o 642.070 14.594 87.582  3.9683 86.213  6.8596  88.271  4.8651 634.882 25.513 644.065 17.837 -9.182495      31.12982 
1 1 1 -4  8  14 f 537.193 17.144 61.331  3.9002 61.454  5.7623  61.228  5.2984 536.553 25.359 535.894 23.346 0.6596680      34.46949 
1 1 1 -4  8  15 f 369.318 15.276 28.949  2.3892 28.645  3.9891  29.119  2.9836 365.676 25.927 369.668 19.124 -3.992035      32.21721 
1 1 1 -4  8  16 o 657.929 30.930 92.379  8.6180 0.0000  0.0000  92.379  8.6180 ?       ?      657.929 30.930 0.000000       30.93033 
1 1 1 -4  8  17 o 949.256 22.350 191.507 8.9846 193.524 12.228  189.141 13.245 952.770 30.306 941.274 33.228 11.49548       44.97221 
1 1 1 -4  8  18 o 1025.40 23.086 223.527 10.025 217.532 13.750  230.330 14.647 1009.66 32.158 1038.65 33.300 -28.98627      46.29229 
1 1 1 -4  8  19 o 1248.22 24.752 331.562 13.084 337.658 18.143  324.956 18.888 1256.85 34.086 1232.24 36.194 24.60608       49.71783 
1 1 1 -4  8  20 o 506.460 21.176 54.538  4.5418 57.565  6.2845  51.229  6.5712 518.647 28.725 488.559 31.936 30.08798       42.95364 
1 1 1 -4  8  21 o 908.386 22.928 175.679 8.8204 192.397 12.366  158.361 12.585 948.563 30.782 859.484 34.577 89.07892       46.29351 
1 1 1 -4  8  22 o 1872.05 42.677 757.335 33.834 757.335 33.834  0.0000  0.0000 1872.05 42.677 ?       ?      0.000000       42.67714 
1 1 1 -4  8  23 o 606.121 30.954 78.884  7.9190 78.884  7.9190  0.0000  0.0000 606.121 30.954 ?       ?      0.000000       30.95424 
1 1 1 -4  8  24 o 661.518 31.408 93.956  8.7988 0.0000  0.0000  93.956  8.7988 ?       ?      661.518 31.408 0.000000       31.40781 
1 1 1 -4  8  25 f 869.498 18.923 161.128 6.9680 174.362 11.997  154.391 8.5600 899.359 31.498 849.527 23.793 49.83160       39.47439 
1 1 1 -4  8  26 o 443.718 18.042 41.995  3.3903 48.893  5.8654  38.534  4.1546 475.111 29.294 423.410 23.259 51.70096       37.40513 
1 1 1 -4  8  27 o 220.751 20.673 10.522  1.9102 12.873  3.2437  9.2742  2.3634 241.238 32.584 205.437 27.886 35.80186       42.88799 
1 1 1 -4  8  28 o 453.154 18.174 43.930  3.4877 48.942  6.0908  41.484  4.2542 473.022 30.569 438.449 22.992 34.57260       38.25005 
1 1 1 -4  8  29 o 237.777 23.651 12.351  2.3500 12.909  3.4236  11.853  3.2314 239.060 34.841 229.094 34.367 9.965790       48.93913 
1 1 1 -4  8  30 o 297.595 24.223 19.364  3.0263 20.600  4.1703  17.988  4.3984 303.040 33.031 280.459 38.012 22.58142       50.35817 
1 1 1 -4  8  31 o 189.758 21.125 7.8985  1.6688 6.2151  2.8513  8.7756  2.0581 160.946 41.549 198.825 24.996 -37.87845      48.48814 
1 1 1 -4  8  32 o 169.554 28.042 6.5226  1.9432 0.0000  0.0000  6.5226  1.9432 ?       ?      169.554 28.042 0.000000       28.04187 
1 1 1 -4  9  1  f 1142.03 21.717 277.640 10.503 284.349 14.739  270.716 14.972 1152.89 30.188 1124.42 31.441 28.46460       43.58699 
1 1 1 -4  9  2  o 789.775 18.950 132.612 6.3379 133.765 8.9037  131.428 9.0238 791.657 26.558 784.568 27.159 7.088745       37.98587 
1 1 1 -4  9  3  f 1142.13 20.978 277.604 10.147 277.364 14.214  277.854 14.489 1138.86 29.471 1139.66 30.021 -0.7960205     42.06927 
1 1 1 -4  9  4  o 434.839 16.110 40.159  2.9666 40.669  4.0480  39.568  4.3601 436.480 21.970 430.172 24.030 6.307800       32.55920 
1 1 1 -4  9  5  o 666.468 24.192 94.722  6.8279 0.0000  0.0000  94.722  6.8279 ?       ?      666.468 24.192 0.000000       24.19170 
1 1 1 -4  9  6  o 437.749 14.349 40.683  2.6600 0.0000  0.0000  40.683  2.6600 ?       ?      437.749 14.349 0.000000       14.34851 
1 1 1 -4  9  7  o 303.333 11.217 19.517  1.4409 18.384  2.6269  20.004  1.7232 292.972 21.319 306.992 13.255 -14.02008      25.10355 
1 1 1 -4  9  8  o 141.392 11.377 4.2688  0.6755 2.9914  1.1607  4.9229  0.8306 116.199 24.366 151.723 13.054 -35.52374      27.64221 
1 1 1 -4  9  9  o 182.633 9.7713 7.0944  0.7530 7.4916  1.0356  6.6488  1.0969 187.364 13.135 176.251 14.833 11.11313       19.81269 
1 1 1 -4  9  10 o 208.655 9.9727 9.2356  0.8812 8.6692  1.1915  9.9195  1.3092 201.489 14.052 215.549 14.426 -14.06003      20.13866 
1 1 1 -4  9  11 o 468.034 10.791 46.487  2.1388 47.976  2.9948  44.936  3.0556 475.000 14.888 459.597 15.699 15.40326       21.63567 
1 1 1 -4  9  12 o 903.892 14.985 173.679 5.7359 172.448 9.7219  174.336 7.1041 897.336 25.583 904.662 18.543 -7.325928      31.59658 
1 1 1 -4  9  13 o 426.676 16.054 38.696  2.9008 38.310  4.2689  39.028  3.9538 422.894 23.935 427.246 21.926 -4.351563      32.45946 
1 1 1 -4  9  14 o 711.557 17.651 107.609 5.3188 111.756 7.8608  104.107 7.2234 723.646 25.651 698.700 24.412 24.94598       35.41056 
1 1 1 -4  9  15 o 403.131 18.778 34.528  3.2058 0.0000  0.0000  34.528  3.2058 ?       ?      403.131 18.778 0.000000       18.77792 
1 1 1 -4  9  16 o 434.681 15.521 40.086  2.8571 38.956  4.7573  40.723  3.5733 426.926 26.443 437.894 19.269 -10.96844      32.71832 
1 1 1 -4  9  17 o 855.242 21.503 155.409 7.7883 150.562 10.481  161.386 11.639 840.546 29.443 869.816 31.596 -29.27057      43.18801 
1 1 1 -4  9  18 o 483.389 20.303 49.633  4.1561 47.672  5.5881  52.060  6.2175 472.254 28.067 493.281 29.904 -21.02750      41.01280 
1 1 1 -4  9  19 o 1151.35 23.890 282.035 11.649 294.514 15.961  267.812 17.039 1174.31 32.095 1118.58 35.970 55.72290       48.20650 
1 1 1 -4  9  20 o 833.609 22.196 147.831 7.8358 143.258 10.735  153.045 11.463 818.814 30.959 846.062 31.994 -27.24811      44.52070 
1 1 1 -4  9  21 o 1022.78 23.385 222.786 10.129 220.081 14.006  225.751 14.665 1013.79 32.624 1026.37 33.739 -12.57611      46.93198 
1 1 1 -4  9  22 o 1725.03 40.438 641.885 29.541 641.885 29.541  0.0000  0.0000 1725.03 40.438 ?       ?      0.000000       40.43805 
1 1 1 -4  9  23 o 309.015 31.202 20.661  4.0274 20.661  4.0274  0.0000  0.0000 309.015 31.202 ?       ?      0.000000       31.20225 
1 1 1 -4  9  24 o 739.705 32.053 117.616 10.041 0.0000  0.0000  117.616 10.041 ?       ?      739.705 32.053 0.000000       32.05331 
1 1 1 -4  9  25 o 450.054 21.751 43.271  4.1455 42.512  5.8398  44.042  5.8857 442.947 31.334 450.989 31.005 -8.041718      44.08122 
1 1 1 -4  9  26 f 467.848 17.991 46.694  3.5646 48.599  6.0715  45.692  4.4034 473.112 30.465 461.831 22.514 11.28070       37.88187 
1 1 1 -4  9  27 o 96.977  29.182 2.0582  1.2963 1.2900  2.0983  2.5325  1.6486 94.316  36.643 107.579 33.022 -13.26331      49.32747 
1 1 1 -4  9  28 o 421.603 18.296 38.043  3.2666 34.916  5.5457  39.704  4.0423 397.838 33.220 429.044 22.325 -31.20654      40.02420 
1 1 1 -4  9  29 o 502.380 22.318 54.533  4.7483 52.290  6.7278  56.758  6.7024 485.300 32.931 506.750 31.386 -21.45023      45.49175 
1 1 1 -4  9  30 o 218.600 25.784 10.556  2.3410 15.386  3.2350  5.2452  3.3920 262.896 29.570 149.437 47.590 113.4596       56.02803 
1 1 1 -4  9  31 o 361.254 22.865 28.541  3.4799 0.0000  0.0000  28.541  3.4799 ?       ?      361.254 22.865 0.000000       22.86455 
1 1 1 -4  9  32 o 221.453 20.319 10.731  1.8843 12.646  3.2229  9.7360  2.3226 234.602 33.381 208.316 26.960 26.28584       42.90842 
1 1 1 -4  10 1  o 564.884 18.059 67.829  4.3201 72.162  6.0804  63.412  6.1390 581.669 24.684 544.949 26.601 36.72046       36.28937 
1 1 1 -4  10 2  o 172.714 17.845 6.4072  1.2864 7.0175  1.8018  5.7726  1.8373 179.826 24.281 162.154 27.754 17.67139       36.87566 
1 1 1 -4  10 3  o 463.028 16.814 45.552  3.2971 48.420  4.5738  42.448  4.7572 476.729 22.655 445.316 25.330 31.41254       33.98317 
1 1 1 -4  10 4  o 765.278 14.163 124.316 4.5902 127.063 7.7039  122.804 5.7154 772.004 23.564 760.074 17.756 11.92957       29.50507 
1 1 1 -4  10 5  o 436.597 22.549 40.732  4.1549 0.0000  0.0000  40.732  4.1549 ?       ?      436.597 22.549 0.000000       22.54871 
1 1 1 -4  10 6  o 626.343 12.583 83.248  3.3377 81.564  4.0740  86.687  5.8206 619.625 15.526 637.821 21.549 -18.19623      26.55927 
1 1 1 -4  10 7  o 308.689 9.5572 20.204  1.2494 18.852  1.7764  21.528  1.7575 297.944 14.079 318.457 13.032 -20.51312      19.18440 
1 1 1 -4  10 8  o 321.658 10.877 21.950  1.4816 21.130  2.5620  22.362  1.8161 314.359 19.339 324.516 13.215 -10.15683      23.42252 
1 1 1 -4  10 9  o 185.062 9.7832 7.2847  0.7640 7.2978  1.0509  7.2700  1.1127 184.850 13.518 184.394 14.363 0.4560852      19.72350 
1 1 1 -4  10 10 o 586.464 10.604 72.982  2.6336 71.086  3.6075  75.145  3.8536 578.231 14.732 594.410 15.309 -16.17914      21.24581 
1 1 1 -4  10 11 o 637.128 11.176 86.153  3.0155 84.629  4.1917  87.788  4.3415 630.760 15.692 642.374 15.959 -11.61401      22.38151 
1 1 1 -4  10 12 f 875.573 17.004 163.126 6.3051 162.644 9.0907  163.573 8.7524 871.949 24.618 874.788 23.625 -2.838623      34.12080 
1 1 1 -4  10 13 o 373.653 15.946 29.670  2.5233 28.386  3.6195  30.884  3.5197 363.954 23.611 379.986 21.966 -16.03156      32.24844 
1 1 1 -4  10 14 o 312.027 17.427 20.751  2.2936 0.0000  0.0000  20.751  2.2936 ?       ?      312.027 17.427 0.000000       17.42667 
1 1 1 -4  10 15 o 719.202 19.082 109.890 5.8118 0.0000  0.0000  109.890 5.8118 ?       ?      719.202 19.082 0.000000       19.08170 
1 1 1 -4  10 16 o 659.723 15.961 92.342  4.4594 81.787  7.4471  98.242  5.5680 619.548 28.384 680.158 19.331 -60.61041      34.34098 
1 1 1 -4  10 17 o 684.213 20.399 99.433  5.9108 97.996  7.8734  101.288 8.9475 678.416 27.405 689.239 30.654 -10.82336      41.11796 
1 1 1 -4  10 18 o 313.014 20.141 20.897  2.6557 19.895  3.5001  22.257  4.0771 304.418 27.445 321.668 30.286 -17.24939      40.87107 
1 1 1 -4  10 19 o 503.369 20.426 53.845  4.3542 55.389  5.8657  51.950  6.4985 509.101 27.306 492.271 31.335 16.83005       41.56321 
1 1 1 -4  10 20 o 213.598 21.941 9.8069  1.9565 10.990  2.6662  8.4259  2.8800 225.164 28.606 195.230 36.166 29.93484       46.11208 
1 1 1 -4  10 21 o 263.402 21.716 14.865  2.4008 14.260  3.2245  15.618  3.5962 256.510 30.267 268.201 32.313 -11.69156      44.27403 
1 1 1 -4  10 22 o 881.807 31.191 166.507 11.648 166.507 11.648  0.0000  0.0000 881.807 31.191 ?       ?      0.000000       31.19050 
1 1 1 -4  10 23 o 309.117 21.729 20.452  2.8264 18.048  3.8906  23.138  4.1129 288.303 32.429 327.389 29.998 -39.08652      44.17579 
1 1 1 -4  10 24 o 452.597 31.379 44.232  5.9774 0.0000  0.0000  44.232  5.9774 ?       ?      452.597 31.379 0.000000       31.37950 
1 1 1 -4  10 25 o 591.294 21.829 74.725  5.4662 76.018  7.6030  73.342  7.8645 593.087 30.373 581.862 32.039 11.22552       44.14773 
1 1 1 -4  10 26 o 350.953 22.104 26.485  3.2685 27.808  4.5969  25.132  4.6481 357.171 30.689 338.730 32.814 18.44141       44.92887 
1 1 1 -4  10 27 o 899.582 23.410 173.933 8.9183 167.226 12.461  180.977 12.770 875.201 33.619 910.893 33.104 -35.69147      47.18134 
1 1 1 -4  10 28 o 803.238 23.042 139.043 7.8380 142.724 11.010  135.261 11.161 807.105 32.212 784.570 33.590 22.53436       46.53956 
1 1 1 -4  10 29 o 356.184 18.573 27.324  2.7919 33.041  4.7379  24.283  3.4556 387.197 29.107 333.567 24.637 53.63028       38.13355 
1 1 1 -4  10 30 o 287.713 23.392 18.087  2.8255 22.123  3.9389  13.808  4.0553 315.479 29.836 243.500 40.767 71.97876       50.51866 
1 1 1 -4  10 31 o 400.802 23.103 35.160  3.9047 0.0000  0.0000  35.160  3.9047 ?       ?      400.802 23.103 0.000000       23.10254 
1 1 1 -4  10 32 o 412.577 18.483 36.810  3.2294 41.640  5.4994  34.268  3.9898 430.371 30.368 394.629 23.988 35.74246       38.69949 
1 1 1 -4  11 1  o 258.360 17.541 14.254  1.9078 15.228  2.6749  13.245  2.7217 266.145 23.991 247.657 26.356 18.48849       35.63969 
1 1 1 -4  11 2  o 417.360 17.023 37.019  3.0088 35.820  4.1989  38.285  4.3137 409.056 24.349 422.976 24.182 -13.92010      34.31680 
1 1 1 -4  11 3  o 408.498 16.357 35.455  2.8297 34.794  3.8881  36.199  4.1262 403.386 22.854 411.310 23.790 -7.924591      32.98890 
1 1 1 -4  11 4  o 363.326 12.589 28.010  1.9370 28.033  3.2265  27.997  2.4221 362.186 21.128 363.029 15.755 -0.8424072     26.35485 
1 1 1 -4  11 5  o 141.141 23.954 4.3668  1.3806 0.0000  0.0000  4.3668  1.3806 ?       ?      141.141 23.954 0.000000       23.95404 
1 1 1 -4  11 6  o 306.368 9.8261 19.903  1.2749 20.050  1.8325  19.764  1.7748 307.274 14.082 305.097 13.736 2.176941       19.67208 
1 1 1 -4  11 7  o 282.727 11.140 16.959  1.3338 17.677  1.6301  15.505  2.3203 288.525 13.341 268.939 20.528 19.58569       24.48225 
1 1 1 -4  11 8  o 231.660 10.960 11.387  1.0752 11.035  1.3063  12.128  1.8932 227.514 13.621 237.835 18.954 -10.32080      23.34023 
1 1 1 -4  11 9  o 881.646 16.259 165.399 6.0705 162.816 8.5884  167.978 8.5817 872.510 23.243 886.376 22.862 -13.86597      32.60231 
1 1 1 -4  11 10 o 311.865 11.175 20.644  1.4759 20.344  1.8037  21.251  2.5674 309.401 13.766 315.087 19.334 -5.686371      23.73414 
1 1 1 -4  11 11 o 629.196 12.379 84.060  3.2984 84.001  4.1031  84.167  5.5456 628.498 15.416 628.006 20.852 0.4916382      25.93142 
1 1 1 -4  11 12 o 590.068 12.703 73.916  3.1744 74.355  3.9968  73.166  5.2242 591.377 15.959 585.748 21.060 5.629333       26.42402 
1 1 1 -4  11 13 o 312.855 17.101 20.867  2.2572 0.0000  0.0000  20.867  2.2572 ?       ?      312.855 17.101 0.000000       17.10108 
1 1 1 -4  11 14 o 576.630 17.686 70.641  4.3189 0.0000  0.0000  70.641  4.3189 ?       ?      576.630 17.686 0.000000       17.68629 
1 1 1 -4  11 15 o 449.346 14.595 42.833  2.7773 39.306  4.6717  44.762  3.4539 428.831 25.845 459.143 17.763 -30.31195      31.36080 
1 1 1 -4  11 16 o 716.433 15.746 108.891 4.7774 104.588 8.0484  111.232 5.9364 700.826 27.118 723.740 19.368 -22.91394      33.32447 
1 1 1 -4  11 17 o 1153.04 18.229 282.221 8.9013 254.393 15.026  297.267 11.049 1091.76 32.498 1182.70 22.060 -90.93457      39.27787 
1 1 1 -4  11 18 o 363.491 19.758 28.147  3.0300 26.059  3.9855  31.006  4.6641 348.739 27.201 380.270 29.185 -31.53168      39.89563 
1 1 1 -4  11 19 o 489.279 20.175 50.874  4.1805 50.209  5.5640  51.736  6.3348 484.603 27.222 491.329 30.597 -6.725861      40.95368 
1 1 1 -4  11 20 f 438.406 20.549 40.871  3.8151 45.575  5.1373  35.086  5.6968 461.577 26.391 403.409 33.653 58.16818       42.76694 
1 1 1 -4  11 21 o 540.884 20.870 62.247  4.7804 61.401  6.4107  63.307  7.1746 535.370 28.377 542.958 31.336 -7.588684      42.27464 
1 1 1 -4  11 22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  11 23 o 257.182 32.964 14.424  3.5076 0.0000  0.0000  14.424  3.5076 ?       ?      257.182 32.964 0.000000       32.96421 
1 1 1 -4  11 24 o 332.074 21.693 23.625  3.0340 24.892  4.1646  22.193  4.4289 339.315 29.269 319.275 33.243 20.03967       44.29179 
1 1 1 -4  11 25 o 643.499 21.826 88.536  5.9480 89.960  8.1935  86.950  8.6483 645.904 29.954 633.289 32.355 12.61591       44.09181 
1 1 1 -4  11 26 o 133.095 28.836 3.9696  1.5783 6.4858  2.2381  1.4802  2.2261 170.232 32.226 98.491  37.889 71.74066       49.73980 
1 1 1 -4  11 27 o 486.626 22.065 50.833  4.5473 53.753  6.2767  47.607  6.5969 496.732 29.978 465.657 33.680 31.07498       45.08887 
1 1 1 -4  11 28 o 857.502 23.204 158.638 8.4265 164.331 11.727  152.560 12.117 865.558 31.991 831.736 34.400 33.82196       46.97655 
1 1 1 -4  11 29 o 221.218 20.204 10.628  1.8719 8.9739  3.0273  11.651  2.3818 197.145 37.632 230.306 24.812 -33.16080      45.07594 
1 1 1 -4  11 30 o 224.188 25.635 11.107  2.3901 10.622  3.2233  11.700  3.5622 214.615 36.789 224.464 38.882 -9.848053      53.52795 
1 1 1 -4  11 31 o 168.782 29.542 6.4973  2.0347 0.0000  0.0000  6.4973  2.0347 ?       ?      168.782 29.542 0.000000       29.54249 
1 1 1 -4  11 32 o 340.913 19.042 25.243  2.7382 30.431  4.6234  22.440  3.3982 367.862 29.938 318.244 25.427 49.61783       39.27836 
1 1 1 -4  12 1  o 572.763 17.801 69.764  4.3178 71.720  6.0415  67.721  6.1731 579.607 24.613 562.970 25.892 16.63641       35.72435 
1 1 1 -4  12 2  o 819.493 18.661 142.872 6.4762 144.151 9.0195  141.511 9.3045 821.360 25.930 813.492 27.008 7.868469       37.44084 
1 1 1 -4  12 3  o 488.147 13.264 50.578  2.7420 52.587  4.6047  49.474  3.4131 496.717 21.890 482.451 16.705 14.26636       27.53617 
1 1 1 -4  12 4  o 531.884 12.781 60.041  2.8789 57.816  4.7759  61.311  3.6082 520.817 21.653 537.147 15.862 -16.33063      26.84137 
1 1 1 -4  12 5  o 105.225 17.838 2.4201  0.7665 0.0000  0.0000  2.4201  0.7665 ?       ?      105.225 17.838 0.000000       17.83827 
1 1 1 -4  12 6  o 719.097 15.089 109.885 4.5949 116.195 6.5500  103.771 6.4476 738.237 20.951 697.449 21.829 40.78754       30.25658 
1 1 1 -4  12 7  o 522.476 11.520 57.933  2.5489 58.175  4.3662  57.808  3.1393 522.427 19.735 521.605 14.212 0.8225708      24.31962 
1 1 1 -4  12 8  o 319.629 9.4803 21.668  1.2832 21.277  1.8110  22.063  1.8186 316.461 13.513 322.263 13.325 -5.801239      18.97818 
1 1 1 -4  12 9  o 99.641  14.415 2.1539  0.5906 1.5580  1.0034  2.4698  0.7305 84.950  25.698 106.446 16.760 -21.49538      30.68066 
1 1 1 -4  12 10 o 763.456 11.255 123.715 3.6388 120.170 5.0378  127.581 5.2616 751.561 15.828 774.338 16.045 -22.77673      22.53832 
1 1 1 -4  12 11 o 217.459 12.902 10.077  1.1829 9.3993  2.1175  10.385  1.4261 208.206 24.482 220.474 15.370 -12.26733      28.90730 
1 1 1 -4  12 12 o 507.537 13.174 54.687  2.8315 48.353  5.0577  57.578  3.4172 474.935 25.237 520.520 15.502 -45.58469      29.61774 
1 1 1 -4  12 13 o 742.077 17.508 117.045 5.5021 0.0000  0.0000  117.045 5.5021 ?       ?      742.077 17.508 0.000000       17.50805 
1 1 1 -4  12 14 o 761.281 14.890 122.989 4.8004 117.016 8.1858  126.120 5.9264 740.864 26.090 770.493 18.163 -29.62933      31.78967 
1 1 1 -4  12 15 o 321.881 14.366 21.976  1.9582 23.392  3.2839  21.195  2.4394 330.774 23.598 315.405 18.342 15.36908       29.88799 
1 1 1 -4  12 16 o 745.402 15.803 117.875 4.9885 103.274 8.4093  125.802 6.1966 696.220 28.521 769.733 19.009 -73.51312      34.27576 
1 1 1 -4  12 17 o 481.219 19.142 49.172  3.9010 46.298  5.1515  53.036  5.9728 465.645 26.231 498.129 28.431 -32.48471      38.68314 
1 1 1 -4  12 18 o 315.943 16.095 21.236  2.1464 18.182  3.3841  23.292  2.7763 290.802 27.819 330.524 19.928 -39.72165      34.21985 
1 1 1 -4  12 19 o 940.844 21.887 188.264 8.7206 192.854 11.698  182.523 13.084 950.647 29.057 923.671 33.448 26.97534       44.30637 
1 1 1 -4  12 20 o 697.295 21.024 103.428 6.2084 108.162 8.2918  97.388  9.3660 711.917 27.503 674.421 32.793 37.49622       42.79931 
1 1 1 -4  12 21 o 430.457 20.448 39.422  3.7276 36.707  4.9556  42.959  5.6568 413.501 28.473 447.150 30.047 -33.64838      41.39502 
1 1 1 -4  12 22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  12 23 o 372.010 32.888 29.953  5.1279 0.0000  0.0000  29.953  5.1279 ?       ?      372.010 32.888 0.000000       32.88787 
1 1 1 -4  12 24 o 487.605 21.123 50.726  4.3618 50.460  5.9144  51.044  6.4585 483.884 28.996 485.913 31.556 -2.029388      42.85482 
1 1 1 -4  12 25 o 364.278 21.405 28.468  3.2877 27.111  4.4897  30.036  4.8275 353.155 30.314 371.644 30.954 -18.48941      43.32550 
1 1 1 -4  12 26 o 178.121 25.492 6.9598  1.8681 7.2903  2.5797  6.5955  2.7087 179.896 35.122 170.141 38.493 9.754868       52.10830 
1 1 1 -4  12 27 o 444.115 21.956 42.353  4.1295 40.488  5.5723  44.624  6.1503 430.353 30.778 451.138 32.408 -20.78479      44.69382 
1 1 1 -4  12 28 o 426.605 22.224 39.334  4.0012 45.296  5.4826  32.540  5.8528 454.918 28.604 381.207 36.708 73.71072       46.53658 
1 1 1 -4  12 29 o 122.442 30.923 3.4323  1.6039 3.9044  2.1285  2.8122  2.4396 130.036 36.926 115.707 40.432 14.32845       54.75619 
1 1 1 -4  12 30 o 510.099 22.427 56.482  4.8447 60.637  6.6526  51.791  7.0691 522.603 30.188 478.980 35.095 43.62283       46.29169 
1 1 1 -4  12 31 o 80.920  30.992 1.0807  1.4853 0.0000  0.0000  1.0807  1.4853 ?       ?      80.920  30.992 0.000000       30.99177 
1 1 1 -4  12 32 o 506.160 18.542 55.431  3.9745 64.572  6.6798  50.422  4.9451 536.939 29.489 478.411 24.490 58.52802       38.33227 
1 1 1 -4  13 1  o 218.689 17.415 10.236  1.5995 11.181  2.2336  9.2402  2.2915 227.687 23.503 206.118 26.893 21.56943       35.71617 
1 1 1 -4  13 2  o 837.348 18.554 149.216 6.5794 143.568 9.1262  155.328 9.4941 819.272 26.304 852.165 26.308 -32.89349      37.20200 
1 1 1 -4  13 3  o 173.303 13.583 6.4158  0.9889 5.7527  1.6688  6.7747  1.2277 162.221 25.103 177.757 16.497 -15.53636      30.03829 
1 1 1 -4  13 4  o 403.874 12.270 34.618  2.0986 37.807  3.5135  32.849  2.6166 421.307 19.693 393.131 15.717 28.17569       25.19546 
1 1 1 -4  13 5  o 150.818 11.079 4.8517  0.7027 4.2619  0.9833  5.4673  1.0045 140.559 16.855 159.699 15.030 -19.14012      22.58313 
1 1 1 -4  13 6  o 457.385 11.543 44.398  2.2359 44.017  2.7913  45.081  3.7348 455.119 14.483 459.972 19.173 -4.852783      24.02825 
1 1 1 -4  13 7  o 330.514 11.076 23.184  1.5502 23.572  2.6662  22.985  1.9054 331.997 19.043 328.902 13.680 3.095215       23.44701 
1 1 1 -4  13 8  o 177.996 14.362 6.7782  1.0734 0.0000  0.0000  6.7782  1.0734 ?       ?      177.996 14.362 0.000000       14.36226 
1 1 1 -4  13 9  o 461.257 11.380 45.165  2.2229 38.180  3.7873  48.835  2.7455 422.250 21.247 479.384 13.524 -57.13342      25.18620 
1 1 1 -4  13 10 o 558.250 12.266 66.171  2.8999 60.156  4.9596  69.296  3.5746 530.636 22.070 570.923 14.785 -40.28662      26.56475 
1 1 1 -4  13 11 o 393.659 12.230 32.895  2.0388 31.537  3.5368  33.571  2.4952 383.801 21.850 397.452 14.824 -13.65067      26.40428 
1 1 1 -4  13 12 o 322.689 10.680 22.084  1.4595 22.900  2.0496  21.245  2.0788 328.354 14.740 316.214 15.523 12.14001       21.40621 
1 1 1 -4  13 13 o 1059.61 15.662 238.412 7.0281 237.490 11.796  238.919 8.7509 1054.83 26.406 1059.92 19.496 -5.087524      32.82346 
1 1 1 -4  13 14 o 476.116 13.772 48.086  2.7768 46.824  4.5587  48.830  3.5013 469.085 22.948 479.544 17.241 -10.45963      28.70267 
1 1 1 -4  13 15 o 924.105 20.005 181.411 7.8291 171.647 10.525  193.505 11.714 897.563 27.690 952.707 29.033 -55.14368      40.12083 
1 1 1 -4  13 16 o 384.522 18.432 31.389  3.0015 32.139  3.9789  30.399  4.5722 387.964 24.340 376.616 28.887 11.34769       37.77455 
1 1 1 -4  13 17 f 528.198 15.309 59.184  3.4245 56.249  5.6917  60.849  4.2873 513.361 26.269 535.320 18.912 -21.95856      32.36792 
1 1 1 -4  13 18 o 782.439 16.422 129.932 5.4416 128.898 9.0305  130.521 6.8186 777.722 27.418 783.702 20.545 -5.980469      34.26164 
1 1 1 -4  13 19 o 550.225 20.324 64.360  4.7359 0.0000  0.0000  64.360  4.7359 ?       ?      550.225 20.324 0.000000       20.32432 
1 1 1 -4  13 20 o 607.608 20.322 78.521  5.2292 77.930  6.9372  79.298  7.9578 604.279 27.108 608.063 31.006 -3.783875      41.18549 
1 1 1 -4  13 21 o 176.162 31.216 6.8374  2.2435 6.8374  2.2435  0.0000  0.0000 176.162 31.216 ?       ?      0.000000       31.21593 
1 1 1 -4  13 22 o 519.921 31.847 58.162  6.9783 0.0000  0.0000  58.162  6.9783 ?       ?      519.921 31.847 0.000000       31.84679 
1 1 1 -4  13 23 o 459.406 32.060 45.552  6.1984 0.0000  0.0000  45.552  6.1984 ?       ?      459.406 32.060 0.000000       32.06040 
1 1 1 -4  13 24 o 523.571 21.175 58.514  4.6950 53.419  6.2695  65.019  7.0844 497.428 29.901 548.709 30.609 -51.28079      42.78986 
1 1 1 -4  13 25 o 907.752 22.790 176.506 8.7609 183.022 11.915  168.837 12.926 920.143 30.578 881.217 34.636 38.92645       46.20266 
1 1 1 -4  13 26 o 272.716 22.387 16.059  2.5627 14.479  3.4736  17.945  3.7962 255.996 32.795 285.683 31.924 -29.68663      45.76699 
1 1 1 -4  13 27 o 472.875 21.731 48.029  4.3517 49.292  5.9124  46.536  6.4285 475.378 29.515 460.062 33.218 15.31595       44.43614 
1 1 1 -4  13 28 o 343.640 22.322 25.587  3.2309 28.039  4.3946  22.703  4.7665 356.918 29.334 317.831 36.051 39.08685       46.47709 
1 1 1 -4  13 29 o 178.494 26.310 7.0899  1.9291 5.9070  2.5122  8.7900  3.0116 159.018 37.851 194.732 37.882 -35.71469      53.55130 
1 1 1 -4  13 30 o 329.480 31.642 24.372  4.3608 24.372  4.3608  0.0000  0.0000 329.480 31.642 ?       ?      0.000000       31.64239 
1 1 1 -4  13 31 o 193.592 27.756 8.4556  2.2104 0.0000  0.0000  8.4556  2.2104 ?       ?      193.592 27.756 0.000000       27.75554 
1 1 1 -4  13 32 o 317.464 19.186 21.916  2.5673 24.783  4.1716  20.167  3.2572 331.574 30.035 301.328 25.773 30.24609       39.57662 
1 1 1 -4  14 1  o 675.536 18.010 97.133  5.1524 101.330 7.1756  92.666  7.4030 688.430 24.612 657.818 26.574 30.61237       36.22082 
1 1 1 -4  14 2  o 32.975  15.131 -0.3533 0.4804 -0.8220 0.7429  -0.0164 0.6298 37.967  17.882 44.427  18.958 -6.459991      26.06146 
1 1 1 -4  14 3  o 651.286 13.570 90.084  3.7427 89.641  6.2804  90.328  4.6607 647.908 22.889 651.635 16.889 -3.727112      28.44566 
1 1 1 -4  14 4  o 344.660 12.022 25.214  1.7548 24.151  2.9496  25.797  2.1832 335.872 20.840 348.403 14.797 -12.53104      25.55846 
1 1 1 -4  14 5  f 304.444 10.231 19.662  1.3191 19.554  1.8697  19.769  1.8612 303.326 14.555 304.994 14.410 -1.668427      20.48196 
1 1 1 -4  14 6  o 383.557 11.327 31.226  1.8398 31.494  2.2923  30.740  3.0843 384.953 14.061 379.228 19.269 5.724731       23.85341 
1 1 1 -4  14 7  o 358.570 9.7194 27.274  1.4759 28.014  2.0943  26.543  2.0802 363.093 13.620 353.401 13.899 9.692139       19.46037 
1 1 1 -4  14 8  o 254.767 9.7287 13.769  1.0496 14.047  1.4816  13.489  1.4873 256.731 13.676 251.528 14.018 5.203033       19.58447 
1 1 1 -4  14 9  o 444.896 9.8530 41.989  1.8564 41.468  2.5968  42.533  2.6549 441.729 13.881 447.350 14.014 -5.621307      19.72511 
1 1 1 -4  14 10 o 460.709 10.184 45.027  1.9869 41.544  2.7493  48.834  2.8747 442.094 14.685 479.380 14.160 -37.28625      20.39973 
1 1 1 -4  14 11 o 284.843 10.461 17.209  1.2619 19.108  1.7423  15.115  1.8301 299.961 13.716 266.131 16.317 33.83008       21.31577 
1 1 1 -4  14 12 o 225.160 11.325 10.780  1.0764 10.305  1.4906  11.297  1.5561 219.645 16.138 230.043 16.074 -10.39780      22.77774 
1 1 1 -4  14 13 o 415.042 11.363 36.525  1.9972 36.858  2.7771  36.169  2.8745 416.663 15.738 412.703 16.447 3.959839       22.76371 
1 1 1 -4  14 14 o 515.565 16.864 56.426  3.6819 53.971  4.8541  59.753  5.6502 503.701 22.756 529.723 25.187 -26.02185      33.94399 
1 1 1 -4  14 15 o 725.009 18.654 111.607 5.7276 111.291 7.6743  112.004 8.6055 723.186 25.058 725.052 28.026 -1.866333      37.59459 
1 1 1 -4  14 16 o 631.411 14.851 84.561  3.9712 83.632  6.7313  85.057  4.9183 626.919 25.354 632.978 18.348 -6.058289      31.29630 
1 1 1 -4  14 17 f 824.041 16.049 144.084 5.6008 141.833 9.4147  145.317 6.9680 815.983 27.245 827.098 19.893 -11.11530      33.73452 
1 1 1 -4  14 18 o 787.918 16.258 131.764 5.4248 136.827 9.0411  128.915 6.7812 801.332 26.642 778.806 20.560 22.52588       33.65294 
1 1 1 -4  14 19 o 255.052 17.208 13.878  1.8478 11.941  2.8052  15.362  2.4559 234.782 28.818 267.830 21.843 -33.04843      36.16062 
1 1 1 -4  14 20 o 478.922 19.816 48.779  4.0190 47.063  5.2934  51.114  6.1757 468.840 26.771 487.987 30.029 -19.14655      40.23005 
1 1 1 -4  14 21 o 696.173 27.646 103.558 8.1506 103.558 8.1506  0.0000  0.0000 696.173 27.646 ?       ?      0.000000       27.64563 
1 1 1 -4  14 22 o 671.582 31.906 96.738  9.0743 0.0000  0.0000  96.738  9.0743 ?       ?      671.582 31.906 0.000000       31.90579 
1 1 1 -4  14 23 o 457.116 20.764 44.532  4.0195 43.179  5.3189  46.334  6.1375 448.053 28.175 463.324 31.466 -15.27075      42.23719 
1 1 1 -4  14 24 o 312.525 21.418 20.958  2.8176 18.223  3.6887  24.789  4.3657 289.267 30.575 337.764 30.862 -48.49771      43.44258 
1 1 1 -4  14 25 o 330.358 21.737 23.462  3.0242 21.318  3.9689  26.430  4.6696 312.568 30.367 347.768 32.068 -35.19943      44.16442 
1 1 1 -4  14 26 o 249.831 22.621 13.505  2.3673 12.789  3.1882  14.385  3.5343 240.471 32.109 254.772 33.575 -14.30080      46.45724 
1 1 1 -4  14 27 o 332.442 22.115 23.867  3.0958 27.619  4.1518  19.169  4.6459 355.797 27.775 291.886 38.527 63.91132       47.49454 
1 1 1 -4  14 28 o 178.323 27.014 7.0735  1.9762 9.1082  2.6450  4.5027  2.9731 201.036 32.151 140.245 44.543 60.79094       54.93412 
1 1 1 -4  14 29 o 161.885 37.163 6.1125  2.4939 6.1125  2.4939  0.0000  0.0000 161.885 37.163 ?       ?      0.000000       37.16261 
1 1 1 -4  14 30 o 350.511 22.657 26.845  3.3452 30.691  4.4992  22.090  5.0024 371.413 28.830 308.502 39.172 62.91147       48.63803 
1 1 1 -4  14 31 o 217.368 38.229 11.160  3.3906 0.0000  0.0000  11.160  3.3906 ?       ?      217.368 38.229 0.000000       38.22859 
1 1 1 -4  15 1  o 504.755 24.280 54.513  5.1900 54.513  5.1900  0.0000  0.0000 504.755 24.280 ?       ?      0.000000       24.27973 
1 1 1 -4  15 2  o 61.269  22.255 0.6575  0.7462 0.3442  0.9855  1.0784  1.1421 60.996  24.652 76.936  27.590 -15.93987      36.99901 
1 1 1 -4  15 3  o 605.238 13.210 77.807  3.3858 78.922  5.6590  77.186  4.2256 607.886 21.983 602.278 16.567 5.608032       27.52628 
1 1 1 -4  15 4  o 72.622  16.505 1.1670  0.4961 1.4687  0.6929  0.8496  0.7106 81.386  20.198 65.120  21.848 16.26524       29.75402 
1 1 1 -4  15 5  o 321.128 10.289 21.879  1.3992 21.907  1.9918  21.852  1.9661 321.002 14.652 320.616 14.480 0.3862000      20.59971 
1 1 1 -4  15 6  o 143.749 15.378 4.4448  0.9217 4.2415  1.3432  4.6257  1.2670 138.908 23.683 145.701 21.151 -6.792587      31.75310 
1 1 1 -4  15 7  o 592.977 10.381 74.612  2.6070 73.404  3.6975  75.806  3.6762 587.508 14.861 597.095 14.538 -9.586853      20.78970 
1 1 1 -4  15 8  o 692.468 12.321 101.833 3.6132 100.058 6.2102  102.741 4.4425 684.377 21.427 695.040 15.093 -10.66260      26.20934 
1 1 1 -4  15 9  o 481.330 10.054 49.148  2.0493 48.111  2.8486  50.260  2.9504 475.797 14.137 486.281 14.327 -10.48389      20.12750 
1 1 1 -4  15 10 o 580.482 10.527 71.480  2.5878 69.039  3.6039  74.079  3.7183 569.956 14.931 590.402 14.872 -20.44525      21.07347 
1 1 1 -4  15 11 o 342.357 10.616 24.859  1.5391 23.163  2.0864  26.883  2.2798 330.216 14.920 355.725 15.133 -25.50873      21.25118 
1 1 1 -4  15 12 o 467.392 12.902 46.348  2.5537 46.281  3.0127  46.520  4.8132 466.871 15.238 466.441 24.452 0.4299622      28.81079 
1 1 1 -4  15 13 o 720.534 14.225 110.151 4.3405 108.651 5.1655  113.757 8.0061 715.297 17.052 730.550 25.878 -15.25293      30.99082 
1 1 1 -4  15 14 o 241.627 16.827 12.452  1.7111 11.284  2.2681  13.994  2.6069 229.093 23.721 255.287 24.410 -26.19360      34.03772 
1 1 1 -4  15 15 o 292.866 14.568 18.192  1.8068 20.851  2.8588  16.423  2.3315 312.475 21.739 277.352 19.984 35.12326       29.52821 
1 1 1 -4  15 16 o 457.663 14.577 44.425  2.8253 46.008  4.6568  43.503  3.5541 464.504 23.753 452.656 18.541 11.84836       30.13201 
1 1 1 -4  15 17 o 344.820 14.812 25.223  2.1630 25.789  3.5555  24.891  2.7253 347.287 24.329 341.824 18.900 5.462891       30.80760 
1 1 1 -4  15 18 o 1102.18 17.679 257.975 8.2517 259.836 13.856  256.952 10.272 1103.25 29.657 1099.10 22.068 4.145630       36.96647 
1 1 1 -4  15 19 o 345.895 21.568 25.555  3.1436 0.0000  0.0000  25.555  3.1436 ?       ?      345.895 21.568 0.000000       21.56811 
1 1 1 -4  15 20 o 571.512 19.453 69.462  4.7082 70.934  6.4205  67.750  6.9247 576.503 26.298 562.171 29.187 14.33215       39.28686 
1 1 1 -4  15 21 o 423.664 20.148 38.194  3.6150 36.865  4.7514  40.021  5.5704 414.521 27.218 431.232 30.703 -16.71057      41.03021 
1 1 1 -4  15 22 o 370.576 32.049 29.683  4.9802 0.0000  0.0000  29.683  4.9802 ?       ?      370.576 32.049 0.000000       32.04926 
1 1 1 -4  15 23 o 323.002 20.857 22.336  2.8377 20.873  3.7145  24.388  4.3978 310.680 28.552 335.349 31.329 -24.66974      42.38768 
1 1 1 -4  15 24 o 447.108 20.779 42.701  3.9345 42.861  5.1798  42.482  6.0493 445.663 27.580 442.059 32.542 3.604095       42.65760 
1 1 1 -4  15 25 o 434.734 20.980 40.451  3.8626 41.022  5.0979  39.681  5.9185 435.205 27.806 426.043 33.062 9.162323       43.20021 
1 1 1 -4  15 26 o 199.198 24.191 8.6593  1.9989 9.8331  2.6155  7.0108  3.0994 210.848 30.149 174.288 42.397 36.56004       52.02409 
1 1 1 -4  15 27 o 457.735 21.458 45.052  4.1596 41.224  5.5375  50.008  6.3014 433.610 30.347 477.225 31.354 -43.61465      43.63493 
1 1 1 -4  15 28 o 158.475 28.020 5.6419  1.8117 6.7803  2.4119  4.1680  2.7445 171.998 34.315 135.057 42.786 36.94014       54.84673 
1 1 1 -4  15 29 o 311.329 30.556 21.611  3.9767 21.611  3.9767  0.0000  0.0000 311.329 30.556 ?       ?      0.000000       30.55610 
1 1 1 -4  15 30 o 358.602 34.702 29.319  5.2041 0.0000  0.0000  29.319  5.2041 ?       ?      358.602 34.702 0.000000       34.70210 
1 1 1 -4  15 31 o 86.510  31.205 1.4749  1.4632 1.8236  1.9121  0.9822  2.2730 96.545  35.542 90.965  37.187 5.580544       51.43972 
1 1 1 -4  16 1  o 221.837 15.407 10.517  1.4384 15.354  2.4620  8.0100  1.7724 267.186 21.952 192.369 22.161 74.81735       31.19326 
1 1 1 -4  16 2  o 163.081 27.251 5.8580  1.8156 5.8580  1.8156  0.0000  0.0000 163.081 27.251 ?       ?      0.000000       27.25105 
1 1 1 -4  16 3  o 225.919 15.596 10.908  1.4830 12.676  2.1419  9.2806  2.0553 242.765 21.042 206.902 23.896 35.86366       31.84032 
1 1 1 -4  16 4  o 175.393 12.907 6.5698  0.9520 6.3177  1.1812  7.0370  1.6082 171.509 16.465 180.260 21.490 -8.750549      27.07237 
1 1 1 -4  16 5  o 616.270 10.821 80.602  2.8240 81.291  4.0190  79.931  3.9689 618.183 15.352 613.002 15.289 5.180725       21.66598 
1 1 1 -4  16 6  f 488.198 14.440 50.676  2.9854 47.643  4.3379  53.405  4.1150 472.141 21.695 500.339 19.421 -28.19821      29.11756 
1 1 1 -4  16 7  o 497.112 10.154 52.432  2.1377 49.716  3.0232  55.148  3.0231 483.524 14.764 509.362 14.015 -25.83755      20.35648 
1 1 1 -4  16 8  o 298.919 11.519 18.967  1.4582 18.962  1.7463  18.978  2.6503 298.721 13.804 297.400 21.181 1.321259       25.28241 
1 1 1 -4  16 9  o 205.786 14.513 9.0440  1.2567 9.8514  1.7435  8.1708  1.8131 214.133 19.438 194.334 22.444 19.79829       29.69083 
1 1 1 -4  16 10 o 577.899 12.215 70.877  2.9893 70.897  3.6014  70.833  5.3604 577.683 14.721 576.258 21.965 1.425415       26.44181 
1 1 1 -4  16 11 o 378.690 12.279 30.425  1.9692 30.053  2.3501  31.302  3.6077 376.204 14.751 382.604 22.363 -6.400177      26.78994 
1 1 1 -4  16 12 o 216.352 14.057 9.9744  1.2810 10.085  1.5533  9.7403  2.2648 217.231 17.021 212.193 25.729 5.037994       30.84939 
1 1 1 -4  16 13 o 1029.26 15.213 224.794 6.6309 238.208 11.030  217.204 8.2974 1057.70 24.626 1011.06 19.379 46.63696       31.33616 
1 1 1 -4  16 14 o 416.993 13.165 36.871  2.3249 34.331  3.7549  38.450  2.9606 401.247 22.184 425.662 16.424 -24.41495      27.60162 
1 1 1 -4  16 15 o 987.249 15.782 206.780 6.5985 210.508 11.025  204.699 8.2367 994.423 26.179 981.721 19.812 12.70135       32.83055 
1 1 1 -4  16 16 o 351.362 14.825 26.187  2.2059 24.069  3.5272  27.548  2.8270 335.385 25.014 359.715 18.621 -24.33020      31.18414 
1 1 1 -4  16 17 o 570.630 14.789 69.080  3.5740 65.412  5.9905  71.108  4.4534 554.225 25.523 578.661 18.173 -24.43542      31.33160 
1 1 1 -4  16 18 o 619.944 15.438 81.570  4.0531 78.211  6.7190  83.492  5.0818 605.718 26.193 626.812 19.144 -21.09387      32.44363 
1 1 1 -4  16 19 o 397.916 18.804 33.657  3.1687 32.179  4.2361  35.533  4.7746 387.561 25.959 406.994 27.869 -19.43292      38.08654 
1 1 1 -4  16 20 o 503.877 19.297 53.998  4.1177 57.121  5.5872  50.284  6.0923 517.397 25.499 483.865 29.877 33.53177       39.27908 
1 1 1 -4  16 21 o 479.137 30.804 49.381  6.2173 0.0000  0.0000  49.381  6.2173 ?       ?      479.137 30.804 0.000000       30.80381 
1 1 1 -4  16 22 o 283.037 20.920 17.158  2.4898 13.847  3.2974  21.548  3.7976 252.103 31.578 315.947 28.695 -63.84406      42.66845 
1 1 1 -4  16 23 o 426.140 20.563 38.732  3.7109 36.045  4.9041  42.333  5.6761 408.776 28.508 442.599 30.469 -33.82309      41.72554 
1 1 1 -4  16 24 o 417.351 20.577 37.219  3.6368 34.601  4.7863  40.795  5.5941 399.806 28.454 433.537 30.667 -33.73141      41.83425 
1 1 1 -4  16 25 o 347.413 21.077 25.941  3.0863 26.561  4.0461  25.078  4.7729 349.750 27.540 337.661 33.833 12.08936       43.62480 
1 1 1 -4  16 26 o 302.175 21.475 19.691  2.7302 16.476  3.5834  24.139  4.2151 273.331 31.536 331.911 30.323 -58.58060      43.74918 
1 1 1 -4  16 27 o 543.640 21.386 63.606  4.9236 60.282  6.5035  68.070  7.5362 524.758 29.383 555.953 32.146 -31.19537      43.55153 
1 1 1 -4  16 28 o 388.242 21.608 32.675  3.5386 28.079  4.6366  39.088  5.4763 355.375 31.122 419.732 31.028 -64.35696      43.94672 
1 1 1 -4  16 29 o 301.940 30.350 20.354  3.8282 20.354  3.8282  0.0000  0.0000 301.940 30.350 ?       ?      0.000000       30.34985 
1 1 1 -4  16 30 o 189.958 41.504 8.6861  3.2455 0.0000  0.0000  8.6861  3.2455 ?       ?      189.958 41.504 0.000000       41.50400 
1 1 1 -4  16 31 o 98.599  30.915 2.1924  1.4363 2.0083  1.8173  2.4989  2.3445 98.211  34.846 109.141 39.479 -10.92963      52.65771 
1 1 1 -4  17 1  o 255.089 25.728 14.092  2.7414 0.0000  0.0000  14.092  2.7414 ?       ?      255.089 25.728 0.000000       25.72843 
1 1 1 -4  17 2  o 971.877 27.783 203.029 11.435 0.0000  0.0000  203.029 11.435 ?       ?      971.877 27.783 0.000000       27.78332 
1 1 1 -4  17 3  o 317.476 12.841 21.411  1.7265 19.029  2.8494  22.793  2.1703 297.415 22.796 327.302 15.657 -29.88766      27.65552 
1 1 1 -4  17 4  o 255.769 12.318 13.894  1.3343 14.639  1.6665  12.563  2.2270 261.911 15.089 241.447 22.022 20.46349       26.69532 
1 1 1 -4  17 5  o 328.375 11.805 22.896  1.6417 23.068  2.0679  22.604  2.6998 329.337 14.827 324.880 19.716 4.457336       24.66934 
1 1 1 -4  17 6  o 355.856 14.173 26.919  2.1360 25.095  3.0960  28.576  2.9507 342.065 21.481 365.573 19.125 -23.50717      28.76159 
1 1 1 -4  17 7  o 297.895 11.562 18.838  1.4586 17.948  1.8019  20.529  2.4840 290.182 14.711 309.743 19.029 -19.56158      24.05256 
1 1 1 -4  17 8  o 284.081 11.953 17.132  1.4380 16.635  1.7914  18.032  2.4115 279.303 15.202 290.162 19.742 -10.85959      24.91698 
1 1 1 -4  17 9  o 356.287 11.691 26.937  1.7640 26.030  2.1729  28.691  3.0211 350.021 14.659 366.477 19.536 -16.45605      24.42431 
1 1 1 -4  17 10 o 599.334 10.788 76.182  2.7382 82.106  3.8797  70.302  3.8652 621.766 14.734 575.203 15.867 46.56372       21.65358 
1 1 1 -4  17 11 o 276.958 12.069 16.270  1.4156 16.403  2.2826  16.187  1.8045 277.022 19.583 275.659 15.521 1.362701       24.98767 
1 1 1 -4  17 12 o 152.819 14.908 5.0029  0.9525 6.2156  1.4598  4.1038  1.2570 169.719 20.742 137.117 22.422 32.60162       30.54485 
1 1 1 -4  17 13 o 1189.37 16.304 300.228 8.2122 293.098 13.704  304.223 10.258 1172.64 27.597 1196.51 20.244 -23.87183      34.22569 
1 1 1 -4  17 14 o 633.500 13.543 85.103  3.6333 88.769  5.9583  82.933  4.5842 646.250 21.771 625.078 17.318 21.17163       27.81850 
1 1 1 -4  17 15 o 1076.07 16.072 245.688 7.3239 249.418 12.260  243.618 9.1325 1082.24 26.750 1070.90 20.137 11.34106       33.48273 
1 1 1 -4  17 16 o 461.138 14.179 45.103  2.7689 45.578  4.4439  44.802  3.5401 462.950 22.666 459.345 18.198 3.605225       29.06791 
1 1 1 -4  17 17 o 981.710 16.434 204.578 6.8322 193.371 11.481  210.722 8.5012 952.080 28.476 995.719 20.161 -43.63904      34.88984 
1 1 1 -4  17 18 o 369.573 18.093 29.019  2.8317 29.574  3.9339  28.421  4.0794 371.680 25.140 364.082 26.643 7.597565       36.63157 
1 1 1 -4  17 19 o 195.235 22.859 8.2279  1.8542 7.4013  2.3262  9.6681  3.0705 183.510 31.039 209.323 35.932 -25.81232      47.48228 
1 1 1 -4  17 20 o 738.933 20.871 116.233 6.5311 0.0000  0.0000  116.233 6.5311 ?       ?      738.933 20.871 0.000000       20.87061 
1 1 1 -4  17 21 o 773.805 29.661 128.226 9.7197 0.0000  0.0000  128.226 9.7197 ?       ?      773.805 29.661 0.000000       29.66055 
1 1 1 -4  17 22 o 215.869 20.063 10.010  1.8132 9.8804  2.6708  10.121  2.4694 212.466 30.563 215.702 27.670 -3.235718      41.22815 
1 1 1 -4  17 23 o 608.237 20.634 78.956  5.3149 75.587  7.0461  83.404  8.0956 593.144 28.051 622.162 30.726 -29.01825      41.60426 
1 1 1 -4  17 24 o 174.202 25.598 6.6542  1.8321 8.0851  2.4359  4.7905  2.7801 190.979 31.196 145.783 42.451 45.19653       52.68082 
1 1 1 -4  17 25 o 455.310 20.778 44.407  4.0064 40.712  5.2954  49.354  6.1268 432.675 29.068 475.923 30.560 -43.24796      42.17693 
1 1 1 -4  17 26 o 144.232 26.772 4.6374  1.5750 5.7287  2.0061  2.8837  2.5431 159.664 30.785 118.644 41.290 41.01949       51.50336 
1 1 1 -4  17 27 o 726.579 21.804 113.826 6.7091 112.306 8.9317  115.795 10.164 716.442 29.438 724.378 33.131 -7.935974      44.32006 
1 1 1 -4  17 28 o 148.758 33.406 5.1028  2.0530 5.1028  2.0530  0.0000  0.0000 148.758 33.406 ?       ?      0.000000       33.40635 
1 1 1 -4  17 29 o 345.698 21.819 26.022  3.1779 23.695  4.1396  29.362  4.9592 325.641 30.368 361.249 32.773 -35.60843      44.67967 
1 1 1 -4  17 30 o 132.740 41.241 4.1873  2.5625 0.0000  0.0000  4.1873  2.5625 ?       ?      132.740 41.241 0.000000       41.24059 
1 1 1 -4  17 31 o 146.536 28.192 4.9253  1.6860 5.1394  2.1566  4.5888  2.7038 147.189 35.093 137.776 42.289 9.413162       54.95353 
1 1 1 -4  18 1  o 1122.98 20.333 269.194 9.6699 271.863 13.327  266.225 14.053 1124.50 27.984 1111.62 29.852 12.87830       40.91750 
1 1 1 -4  18 2  o 374.268 24.370 30.132  3.8416 0.0000  0.0000  30.132  3.8416 ?       ?      374.268 24.370 0.000000       24.36997 
1 1 1 -4  18 3  o 983.338 18.647 206.156 7.7652 0.0000  0.0000  206.156 7.7652 ?       ?      983.338 18.647 0.000000       18.64687 
1 1 1 -4  18 4  f 158.616 15.566 5.4033  1.0321 4.6447  1.7022  5.8444  1.2980 144.476 28.831 164.488 18.982 -20.01154      34.51820 
1 1 1 -4  18 5  o 520.258 12.297 57.480  2.7093 54.525  4.8297  58.836  3.2727 504.977 22.584 526.036 14.691 -21.05902      26.94179 
1 1 1 -4  18 6  o 543.534 14.828 62.813  3.4131 62.470  4.9428  63.125  4.7187 540.812 21.581 543.872 20.487 -3.060303      29.75717 
1 1 1 -4  18 7  o 432.276 11.680 39.663  2.1382 39.133  3.7367  39.921  2.6073 428.292 20.602 433.428 14.205 -5.136566      25.02412 
1 1 1 -4  18 8  o 390.912 11.534 32.427  1.9095 33.654  3.2460  31.777  2.3612 397.479 19.284 386.743 14.417 10.73618       24.07702 
1 1 1 -4  18 9  o 943.827 13.957 189.157 5.5785 175.467 9.5602  196.225 6.8692 906.249 24.910 960.672 16.884 -54.42310      30.09308 
1 1 1 -4  18 10 o 228.832 12.495 11.142  1.2063 9.0015  1.9996  12.367  1.5125 204.151 23.562 240.883 14.900 -36.73146      27.87757 
1 1 1 -4  18 11 o 618.973 12.531 81.262  3.2847 75.383  5.4237  84.667  4.1278 595.192 21.518 631.535 15.434 -36.34290      26.48039 
1 1 1 -4  18 12 o 349.521 11.221 25.898  1.6609 27.200  2.3311  24.556  2.3669 358.015 15.375 340.117 16.433 17.89761       22.50408 
1 1 1 -4  18 13 o 170.408 13.722 6.1982  0.9819 6.6557  1.3853  5.7362  1.3920 176.031 18.877 163.019 20.624 13.01207       27.95881 
1 1 1 -4  18 14 o 1698.10 17.668 612.099 12.706 627.975 17.942  596.127 17.996 1717.96 24.661 1673.59 25.391 44.37329       35.39576 
1 1 1 -4  18 15 o 599.618 13.841 76.251  3.5148 75.885  5.7047  76.475  4.4623 597.403 22.549 600.211 17.555 -2.807861      28.57700 
1 1 1 -4  18 16 o 775.416 15.030 127.569 4.9355 123.598 8.1128  129.903 6.2187 761.889 25.144 782.040 18.777 -20.15143      31.38157 
1 1 1 -4  18 17 o 271.057 19.510 15.695  2.2245 15.845  2.7775  15.427  3.7151 271.685 24.401 266.410 33.682 5.275146       41.59145 
1 1 1 -4  18 18 o 412.150 17.949 36.095  3.1329 42.858  4.2448  28.002  4.6431 448.680 22.340 360.548 30.701 88.13181       37.96882 
1 1 1 -4  18 19 o 139.142 30.088 4.3004  1.7213 0.0000  0.0000  4.3004  1.7213 ?       ?      139.142 30.088 0.000000       30.08768 
1 1 1 -4  18 20 o 164.887 26.590 5.9511  1.7936 0.0000  0.0000  5.9511  1.7936 ?       ?      164.887 26.590 0.000000       26.59024 
1 1 1 -4  18 21 o 231.370 22.907 11.525  2.2150 11.859  2.7472  10.903  3.7444 233.745 28.331 220.973 41.538 12.77115       50.27981 
1 1 1 -4  18 22 o 533.851 26.679 61.035  6.0315 61.035  6.0315  0.0000  0.0000 533.851 26.679 ?       ?      0.000000       26.67856 
1 1 1 -4  18 23 o 468.899 17.287 46.835  3.4327 45.820  5.3362  47.552  4.4834 460.920 27.462 471.508 22.453 -10.58762      35.47279 
1 1 1 -4  18 24 o 262.570 21.636 14.861  2.3844 15.867  3.1558  13.524  3.6400 269.799 28.029 246.549 35.917 23.25023       45.55949 
1 1 1 -4  18 25 o 253.002 22.446 13.850  2.3800 12.583  3.1290  15.589  3.6661 238.479 31.773 265.313 33.367 -26.83357      46.07483 
1 1 1 -4  18 26 o 238.569 21.985 12.340  2.1962 10.601  2.8261  14.993  3.4896 218.220 31.493 259.869 32.414 -41.64909      45.19349 
1 1 1 -4  18 27 f 112.540 28.982 2.8775  1.3896 1.8962  1.7856  4.3848  2.2131 97.637  34.551 137.648 37.117 -40.01070      50.70929 
1 1 1 -4  18 28 o 237.429 29.986 12.616  2.9479 12.616  2.9479  0.0000  0.0000 237.429 29.986 ?       ?      0.000000       29.98641 
1 1 1 -4  18 29 o 324.757 34.766 24.021  4.7072 0.0000  0.0000  24.021  4.7072 ?       ?      324.757 34.766 0.000000       34.76643 
1 1 1 -4  18 30 o 188.617 25.613 7.9770  1.9930 7.4963  2.5292  8.7645  3.2371 178.838 34.646 190.199 41.366 -11.36066      53.95832 
1 1 1 -4  18 31 o 146.639 28.075 4.9319  1.6799 6.4945  2.1711  2.6005  2.6520 167.210 31.823 112.519 41.774 54.69076       52.51459 
1 1 1 -4  19 1  o 424.781 13.765 38.343  2.4763 39.316  4.1077  37.788  3.1036 428.241 22.732 421.249 17.397 6.992004       28.62502 
1 1 1 -4  19 2  o 86.739  26.635 1.6159  1.0724 3.0601  1.6111  0.4669  1.4370 117.153 31.702 72.964  29.668 44.18863       43.41922 
1 1 1 -4  19 3  o 696.896 13.721 103.204 4.0495 104.930 4.9268  99.609  7.1095 702.129 16.569 681.969 24.617 20.16022       29.67377 
1 1 1 -4  19 4  o 363.749 12.743 28.102  1.9629 25.573  2.3487  33.959  3.5746 346.696 15.997 398.229 21.273 -51.53342      26.61654 
1 1 1 -4  19 5  o 163.823 13.328 5.7388  0.9166 5.3629  1.2651  6.1541  1.3299 157.441 19.384 168.892 18.919 -11.45148      27.08686 
1 1 1 -4  19 6  o 431.551 14.945 39.587  2.7313 36.069  3.8423  43.180  3.8832 410.397 22.190 449.966 20.378 -39.56924      30.12750 
1 1 1 -4  19 7  o 234.606 10.780 11.676  1.0711 11.464  1.5064  11.893  1.5232 231.730 15.438 236.060 15.319 -4.329834      21.74892 
1 1 1 -4  19 8  o 345.804 10.385 25.361  1.5209 25.099  2.1701  25.613  2.1321 343.729 14.908 347.260 14.498 -3.530823      20.79512 
1 1 1 -4  19 9  o 1218.71 13.680 315.251 7.0605 315.430 9.9655  315.071 10.005 1217.60 19.326 1216.88 19.414 0.7177734      27.39352 
1 1 1 -4  19 10 o 526.391 10.635 58.746  2.3709 57.710  3.3703  59.762  3.3357 521.376 15.264 530.603 14.845 -9.227112      21.29255 
1 1 1 -4  19 11 o 536.323 10.856 60.977  2.4658 57.464  3.4368  64.704  3.5397 520.324 15.597 552.171 15.137 -31.84698      21.73472 
1 1 1 -4  19 12 o 889.772 12.444 167.864 4.6889 167.042 6.5430  168.733 6.7229 887.014 17.418 891.440 17.808 -4.425476      24.91043 
1 1 1 -4  19 13 o 359.556 11.552 27.404  1.7589 26.211  2.4823  28.608  2.4928 351.431 16.679 367.183 16.031 -15.75198      23.13378 
1 1 1 -4  19 14 o 738.598 12.341 115.656 3.8602 113.642 5.4325  117.711 5.4863 731.675 17.532 744.674 17.397 -12.99896      24.69874 
1 1 1 -4  19 15 f 286.243 13.981 17.378  1.6948 17.117  2.6234  17.566  2.2203 282.882 22.073 287.025 18.362 -4.142517      28.71210 
1 1 1 -4  19 16 o 225.868 19.170 10.917  1.8164 11.339  2.1712  9.9321  3.3156 229.769 22.606 211.993 38.343 17.77594       44.51097 
1 1 1 -4  19 17 o 454.606 17.713 43.902  3.4102 39.003  4.4853  50.614  5.2498 427.104 24.906 486.612 25.565 -59.50793      35.69136 
1 1 1 -4  19 18 o 483.585 20.209 49.748  4.1386 0.0000  0.0000  49.748  4.1386 ?       ?      483.585 20.209 0.000000       20.20874 
1 1 1 -4  19 19 o 399.746 19.305 33.992  3.2681 0.0000  0.0000  33.992  3.2681 ?       ?      399.746 19.305 0.000000       19.30512 
1 1 1 -4  19 20 o 629.286 15.975 84.128  4.2573 88.263  6.9430  81.636  5.3893 642.936 25.500 619.231 20.551 23.70514       32.75030 
1 1 1 -4  19 21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -4  19 22 o 349.910 17.308 26.061  2.5647 29.336  3.9503  23.675  3.3720 369.296 25.414 331.840 24.161 37.45633       35.06572 
1 1 1 -4  19 23 o 442.047 17.497 41.651  3.2755 41.137  5.0505  42.024  4.3032 436.390 27.469 442.372 23.050 -5.981354      35.85851 
1 1 1 -4  19 24 o 451.497 17.646 43.512  3.3740 42.843  5.1498  44.016  4.4661 444.685 27.481 452.151 23.404 -7.466339      36.09614 
1 1 1 -4  19 25 o 168.679 25.903 6.2772  1.7912 5.7484  2.3975  6.9453  2.6948 158.698 36.442 174.421 37.590 -15.72318      52.35497 
1 1 1 -4  19 26 o 258.684 21.448 14.491  2.3284 15.038  3.0224  13.692  3.6520 261.669 27.695 246.520 36.046 15.14874       45.45714 
1 1 1 -4  19 27 o 220.792 29.867 10.896  2.7210 10.896  2.7210  0.0000  0.0000 220.792 29.867 ?       ?      0.000000       29.86738 
1 1 1 -4  19 28 o 260.388 29.356 15.129  3.1807 15.129  3.1807  0.0000  0.0000 260.388 29.356 ?       ?      0.000000       29.35644 
1 1 1 -4  19 29 o 379.806 34.066 32.812  5.4211 0.0000  0.0000  32.812  5.4211 ?       ?      379.806 34.066 0.000000       34.06613 
1 1 1 -4  19 30 o 346.039 21.954 26.269  3.2006 26.516  4.1521  25.907  5.0242 343.431 28.815 334.069 36.087 9.362213       46.17952 
1 1 1 -4  20 1  o 780.524 14.386 129.465 4.7551 131.356 7.9432  128.409 5.9363 783.716 23.933 776.532 18.051 7.183899       29.97727 
1 1 1 -4  20 2  o 398.742 13.047 33.768  2.2032 30.415  3.6342  35.716  2.7703 376.580 22.897 409.780 15.964 -33.19989      27.91248 
1 1 1 -4  20 3  o 699.146 13.335 103.826 3.9482 111.798 6.6353  99.456  4.9124 723.649 21.652 683.616 16.968 40.03320       27.50857 
1 1 1 -4  20 4  f 556.094 12.979 65.670  3.0565 64.014  3.7204  69.107  5.3610 548.626 16.013 568.872 22.253 -20.24567      27.41546 
1 1 1 -4  20 5  o 993.062 14.651 209.558 6.1614 206.275 7.5121  216.306 10.770 984.361 18.020 1005.41 25.295 -21.04816      31.05741 
1 1 1 -4  20 6  f 288.993 15.177 17.797  1.8510 20.414  2.6087  15.143  2.6267 308.884 20.051 265.245 23.632 43.63907       30.99239 
1 1 1 -4  20 7  o 465.598 11.999 45.998  2.3660 43.614  2.8730  51.021  4.1708 453.114 14.972 489.444 20.122 -36.33066      25.08095 
1 1 1 -4  20 8  f 309.997 10.645 20.378  1.3974 20.438  1.9995  20.321  1.9538 310.211 15.220 309.348 14.914 0.8638306      21.30915 
1 1 1 -4  20 9  o 553.579 10.673 64.974  2.5020 63.471  3.5206  66.509  3.5565 546.768 15.204 559.720 15.004 -12.95209      21.36102 
1 1 1 -4  20 10 o 269.654 11.162 15.416  1.2747 15.368  1.8120  15.464  1.7935 268.575 16.004 269.442 15.786 -0.8665771     22.47959 
1 1 1 -4  20 11 o 527.337 10.825 58.946  2.4175 58.486  3.3911  59.421  3.4474 525.001 15.252 529.171 15.383 -4.170593      21.66284 
1 1 1 -4  20 12 o 947.180 12.787 190.228 5.1292 183.292 7.1524  197.572 7.3595 929.101 18.178 964.639 18.015 -35.53772      25.59275 
1 1 1 -4  20 13 o 263.843 14.342 14.808  1.5965 13.567  1.9498  17.335  2.7811 252.108 18.389 284.559 23.282 -32.45129      29.66863 
1 1 1 -4  20 14 o 740.432 14.013 116.279 4.3940 117.307 5.4823  114.432 7.3475 743.364 17.415 733.410 23.656 9.954651       29.37508 
1 1 1 -4  20 15 o 463.265 16.062 45.549  3.1512 45.499  4.3380  45.605  4.5851 462.526 22.147 462.351 23.495 0.1755371      32.28736 
1 1 1 -4  20 16 o 218.387 15.501 10.173  1.4243 11.593  2.1281  9.0214  1.9169 232.425 21.878 204.687 22.484 27.73863       31.37156 
1 1 1 -4  20 17 o 511.582 18.934 55.635  4.1020 0.0000  0.0000  55.635  4.1020 ?       ?      511.582 18.934 0.000000       18.93363 
1 1 1 -4  20 18 o 700.733 19.455 104.443 5.7733 0.0000  0.0000  104.443 5.7733 ?       ?      700.733 19.455 0.000000       19.45489 
1 1 1 -4  20 19 o 561.419 15.624 66.948  3.7148 66.238  5.9303  67.406  4.7656 557.067 25.138 562.780 19.996 -5.713379      32.12064 
1 1 1 -4  20 20 o 541.323 19.116 62.352  4.3823 62.773  5.8362  61.809  6.6353 542.130 25.421 536.418 29.320 5.712036       38.80532 
1 1 1 -4  20 21 o 451.032 29.685 43.838  5.6383 0.0000  0.0000  43.838  5.6383 ?       ?      451.032 29.685 0.000000       29.68464 
1 1 1 -4  20 22 o 448.848 16.584 42.883  3.1522 44.424  4.8997  41.794  4.1176 454.527 25.558 442.242 21.985 12.28510       33.71310 
1 1 1 -4  20 23 o 390.218 17.615 32.476  2.9109 36.022  4.4955  29.916  3.8198 408.421 26.128 372.546 24.345 35.87494       35.71229 
1 1 1 -4  20 24 o 537.938 17.270 61.776  3.9343 52.921  6.1012  68.079  5.1475 493.323 29.336 563.433 21.573 -70.11008      36.41423 
1 1 1 -4  20 25 o 216.140 23.418 10.172  2.1092 11.860  2.8141  8.0084  3.1862 231.896 29.310 186.224 41.466 45.67233       50.77900 
1 1 1 -4  20 26 o 234.189 21.946 11.922  2.1511 9.5274  2.7525  15.680  3.4481 205.783 32.676 265.643 31.247 -59.85979      45.21230 
1 1 1 -4  20 27 o 264.095 28.441 15.481  3.1307 15.481  3.1307  0.0000  0.0000 264.095 28.441 ?       ?      0.000000       28.44065 
1 1 1 -4  20 28 o 354.667 34.279 28.457  5.0844 0.0000  0.0000  28.457  5.0844 ?       ?      354.667 34.279 0.000000       34.27874 
1 1 1 -4  20 29 o 200.315 40.467 9.6089  3.3147 0.0000  0.0000  9.6089  3.3147 ?       ?      200.315 40.467 0.000000       40.46743 
1 1 1 -4  20 30 o 322.289 22.011 22.822  2.9862 21.066  3.8618  25.434  4.7096 304.687 30.332 332.325 33.940 -27.63803      45.51890 
1 1 1 -4  21 1  o 401.251 13.580 34.190  2.3077 30.910  3.8330  36.055  2.8902 379.629 23.965 411.758 16.574 -32.12903      29.13788 
1 1 1 -4  21 2  o 517.674 13.200 56.902  2.8938 54.776  4.7613  58.147  3.6441 506.635 22.192 522.909 16.456 -16.27399      27.62721 
1 1 1 -4  21 3  o 596.486 12.893 75.536  3.2569 72.598  5.4227  77.194  4.0735 583.321 21.952 602.575 15.963 -19.25391      27.14205 
1 1 1 -4  21 4  o 217.550 13.605 10.089  1.2471 9.7136  2.0851  10.298  1.5561 211.988 23.627 219.411 16.877 -7.422501      29.03597 
1 1 1 -4  21 5  o 472.707 12.353 47.422  2.4729 47.078  4.1970  47.605  3.0607 469.974 21.087 473.336 15.269 -3.362122      26.03482 
1 1 1 -4  21 6  o 267.591 12.651 15.196  1.4336 15.314  2.6333  15.146  1.7091 266.894 23.539 266.592 15.202 0.3014221      28.02079 
1 1 1 -4  21 7  o 310.581 12.736 20.467  1.6752 21.080  2.0888  19.362  2.8043 315.032 15.656 300.651 22.182 14.38065       27.15074 
1 1 1 -4  21 8  o 438.978 12.376 40.876  2.3008 44.821  2.8447  33.414  3.9122 459.514 14.618 395.309 23.474 64.20529       27.65371 
1 1 1 -4  21 9  o 763.083 13.188 123.520 4.2617 122.970 5.2018  124.644 7.4325 761.041 16.140 765.158 22.937 -4.117004      28.04668 
1 1 1 -4  21 10 o 124.830 19.222 3.3875  0.9836 3.3081  1.1950  3.5542  1.7317 122.590 23.877 126.536 32.227 -3.945869      40.10852 
1 1 1 -4  21 11 o 520.411 12.503 57.424  2.7554 55.798  3.3880  60.599  4.7355 512.800 15.601 533.960 20.942 -21.16010      26.11411 
1 1 1 -4  21 12 o 526.395 12.857 58.754  2.8661 60.124  3.5375  56.135  4.8896 532.320 15.692 513.809 22.471 18.51019       27.40810 
1 1 1 -4  21 13 o 206.025 16.748 9.0682  1.4486 9.8690  1.8005  7.5984  2.4394 214.600 20.044 186.042 32.123 28.55708       37.86318 
1 1 1 -4  21 14 o 381.434 12.340 30.849  1.9934 33.948  2.8917  28.042  2.7517 399.892 17.075 363.398 17.881 36.49393       24.72383 
1 1 1 -4  21 15 o 955.148 19.018 193.846 7.6928 0.0000  0.0000  193.846 7.6928 ?       ?      955.148 19.018 0.000000       19.01825 
1 1 1 -4  21 16 o 827.908 18.794 145.678 6.5894 0.0000  0.0000  145.678 6.5894 ?       ?      827.908 18.794 0.000000       18.79399 
1 1 1 -4  21 17 o 485.335 18.843 50.082  3.8730 0.0000  0.0000  50.082  3.8730 ?       ?      485.335 18.843 0.000000       18.84334 
1 1 1 -4  21 18 o 608.526 14.985 78.631  3.8617 73.900  6.0929  81.807  4.9924 588.568 24.445 620.166 19.009 -31.59711      30.96592 
1 1 1 -4  21 19 o 486.296 18.556 50.300  3.8214 50.480  5.0390  50.058  5.8626 485.731 24.577 482.764 28.807 2.966980       37.86604 
1 1 1 -4  21 20 o 763.316 16.059 123.824 5.1911 132.717 8.5808  118.691 6.5194 788.010 25.713 746.444 20.624 41.56604       32.96191 
1 1 1 -4  21 21 o 431.895 20.474 39.776  3.7447 0.0000  0.0000  39.776  3.7447 ?       ?      431.895 20.474 0.000000       20.47387 
1 1 1 -4  21 22 o 374.898 20.631 30.113  3.2630 31.150  4.1907  28.516  5.1999 379.975 26.203 361.032 34.427 18.94272       43.26470 
1 1 1 -4  21 23 o 264.443 18.198 14.999  2.0256 17.009  3.0992  13.501  2.6763 279.789 26.471 249.183 25.732 30.60585       36.91681 
1 1 1 -4  21 24 o 89.971  27.915 1.7492  1.1745 0.9691  1.7124  2.4421  1.6139 84.267  33.002 105.711 32.710 -21.44423      46.46601 
1 1 1 -4  21 25 o 448.538 17.576 43.037  3.3387 42.013  5.1348  43.786  4.3944 439.055 27.759 450.201 23.127 -11.14642      36.13063 
1 1 1 -4  21 26 o 82.551  32.936 0.8486  1.7349 0.4611  1.9149  2.6233  4.0985 81.154  33.747 128.107 50.777 -46.95271      60.96828 
1 1 1 -4  21 27 o 102.134 29.789 2.3556  1.3680 2.8898  1.7774  1.5792  2.1427 112.860 34.217 96.977  37.204 15.88401       50.54610 
1 1 1 -4  21 28 o 182.446 38.592 7.8532  2.8887 0.0000  0.0000  7.8532  2.8887 ?       ?      182.446 38.592 0.000000       38.59198 
1 1 1 -4  21 29 o 109.900 28.931 2.7941  1.3649 1.5833  1.6702  5.2286  2.3682 90.499  33.232 147.664 37.731 -57.16487      50.27953 
1 1 1 -4  21 30 o 259.858 22.850 14.923  2.4890 17.608  3.2191  10.932  3.9248 279.886 27.514 209.465 45.543 70.42149       53.20885 
1 1 1 -4  22 1  o 767.153 14.243 124.965 4.6274 124.867 7.7083  125.021 5.7861 764.946 23.795 766.719 17.820 -1.773315      29.72776 
1 1 1 -4  22 2  o 466.320 12.994 46.154  2.5662 48.161  4.2454  44.998  3.2213 475.439 21.085 460.110 16.532 15.32880       26.79345 
1 1 1 -4  22 3  o 517.626 11.502 56.839  2.5213 55.811  3.5994  57.828  3.5328 512.420 16.587 521.667 15.991 -9.247131      23.04010 
1 1 1 -4  22 4  o 107.842 19.701 2.5522  0.8666 4.3927  1.1930  0.4960  1.2609 142.210 20.392 69.801  27.999 72.40987       34.63753 
1 1 1 -4  22 5  o 627.567 12.730 83.569  3.3831 76.753  5.7278  87.221  4.1927 600.093 22.538 640.816 15.449 -40.72345      27.32517 
1 1 1 -4  22 6  o 635.315 12.527 85.629  3.3704 85.602  5.7675  85.643  4.1533 634.042 21.480 635.051 15.443 -1.009033      26.45502 
1 1 1 -4  22 7  o 438.360 14.795 40.789  2.7466 43.176  3.9079  38.459  3.8611 450.498 20.483 424.531 21.547 25.96677       29.72944 
1 1 1 -4  22 8  o 237.397 13.672 11.996  1.3687 14.441  2.5425  10.998  1.6241 259.387 23.397 226.930 17.024 32.45674       28.93479 
1 1 1 -4  22 9  o 240.942 14.737 12.364  1.4965 11.554  2.7682  12.698  1.7788 230.911 28.944 243.928 17.333 -13.01740      33.73701 
1 1 1 -4  22 10 o 481.413 12.854 49.145  2.6205 52.596  4.6948  47.583  3.1583 497.306 22.292 473.529 15.750 23.77679       27.29429 
1 1 1 -4  22 11 f 405.424 12.761 34.852  2.1910 31.174  3.8894  36.562  2.6518 382.002 24.166 415.137 15.084 -33.13504      28.48738 
1 1 1 -4  22 12 o 770.267 14.185 125.845 4.6272 132.458 8.2776  122.839 5.5805 788.875 24.777 760.696 17.323 28.17944       30.23225 
1 1 1 -4  22 13 o 343.736 14.818 25.067  2.1570 28.701  4.2134  23.776  2.5110 365.961 27.385 334.154 17.808 31.80692       32.66652 
1 1 1 -4  22 14 o 702.852 14.808 104.817 4.4077 108.553 8.2722  103.336 5.2087 713.501 27.377 697.570 17.632 15.93103       32.56317 
1 1 1 -4  22 15 f 890.874 15.826 168.484 5.9707 159.332 11.172  172.143 7.0643 863.336 30.555 900.069 18.533 -36.73267      35.73675 
1 1 1 -4  22 16 o 637.493 14.098 86.246  3.8062 89.817  6.1789  84.062  4.8317 649.439 22.466 628.909 18.141 20.53033       28.87613 
1 1 1 -4  22 17 o 273.368 17.854 15.952  2.0556 14.720  2.6640  17.766  3.2318 261.616 24.323 287.165 26.887 -25.54904      36.25669 
1 1 1 -4  22 18 o 295.620 18.221 18.654  2.2700 15.828  2.9426  22.808  3.5673 271.010 25.957 325.742 26.078 -54.73251      36.79434 
1 1 1 -4  22 19 o 315.594 16.892 21.232  2.2495 23.721  3.2831  19.028  3.0884 332.651 23.455 297.534 24.735 35.11700       34.08760 
1 1 1 -4  22 20 o 419.837 16.179 37.471  2.8765 33.997  4.3729  40.122  3.8192 397.812 26.101 433.872 20.786 -36.06064      33.36646 
1 1 1 -4  22 21 o 714.904 20.309 109.046 6.1486 0.0000  0.0000  109.046 6.1486 ?       ?      714.904 20.309 0.000000       20.30869 
1 1 1 -4  22 22 o 342.920 16.697 25.058  2.4248 27.545  3.7719  23.307  3.1657 357.276 25.089 329.050 22.859 28.22662       33.94112 
1 1 1 -4  22 23 o 373.714 16.754 29.797  2.6515 33.760  4.1106  26.973  3.4699 395.328 24.676 353.594 23.303 41.73373       33.94026 
1 1 1 -4  22 24 o 590.280 17.006 74.433  4.2512 79.174  6.7145  71.261  5.4922 605.147 26.200 575.657 22.529 29.49078       34.55451 
1 1 1 -4  22 25 o 478.127 17.423 48.932  3.5278 47.879  5.4506  49.691  4.6278 468.429 27.598 480.001 22.766 -11.57199      35.77634 
1 1 1 -4  22 26 o 136.657 32.294 4.2934  1.8393 5.7473  2.0683  -1.2032 4.0217 158.639 31.893 100.387 45.155 58.25159       55.28246 
1 1 1 -4  22 27 o 342.635 25.612 25.814  3.6895 0.0000  0.0000  25.814  3.6895 ?       ?      342.635 25.612 0.000000       25.61241 
1 1 1 -4  22 28 o 200.788 40.628 9.6152  3.3361 0.0000  0.0000  9.6152  3.3361 ?       ?      200.788 40.628 0.000000       40.62848 
1 1 1 -4  22 29 o 199.160 23.943 8.8386  1.9789 7.4134  2.5292  11.089  3.1780 177.344 34.918 217.350 35.771 -40.00586      49.98832 
1 1 1 -4  22 30 f 175.306 25.456 6.9279  1.8346 6.4874  2.3421  7.6272  2.9511 165.591 34.518 176.892 40.295 -11.30081      53.05799 
1 1 1 -4  23 1  o 308.096 17.141 20.233  2.2277 22.886  3.0280  17.102  3.2890 327.080 21.988 281.523 27.956 45.55692       35.56740 
1 1 1 -4  23 2  o 136.799 17.094 4.0381  0.9687 3.7281  1.4067  4.3177  1.3359 129.819 26.485 140.505 23.265 -10.68602      35.25176 
1 1 1 -4  23 3  o 359.720 11.511 27.444  1.7536 29.684  2.4978  25.266  2.4624 373.849 15.777 344.837 16.862 29.01230       23.09167 
1 1 1 -4  23 4  o 164.211 15.022 5.7726  1.0331 5.3255  1.4841  6.1930  1.4390 156.443 23.095 169.383 20.476 -12.93967      30.86509 
1 1 1 -4  23 5  o 320.187 11.242 21.739  1.5243 20.142  2.1772  23.276  2.1350 307.473 16.784 331.108 15.226 -23.63474      22.66076 
1 1 1 -4  23 6  o 129.164 15.492 3.5923  0.8305 2.9020  1.2453  4.1452  1.1146 114.388 26.261 138.276 19.581 -23.88835      32.75743 
1 1 1 -4  23 7  o 730.536 13.153 113.202 4.0692 107.183 5.0279  124.630 6.9278 710.469 16.711 765.429 21.372 -54.96008      27.12970 
1 1 1 -4  23 8  o 527.669 10.944 59.024  2.4455 58.019  3.5111  59.971  3.4081 522.831 15.858 531.610 15.138 -8.779968      21.92332 
1 1 1 -4  23 9  o 215.511 15.009 9.9018  1.3613 9.8430  2.5320  9.9256  1.6144 212.926 28.820 215.468 17.854 -2.541977      33.90189 
1 1 1 -4  23 10 o 1195.90 16.026 303.504 8.1166 305.059 14.176  302.745 9.8998 1196.27 27.983 1193.76 19.582 2.507935       34.15423 
1 1 1 -4  23 11 o 166.152 17.014 5.9209  1.1803 5.3256  2.3654  6.1183  1.3620 154.651 36.673 168.607 19.430 -13.95607      41.50232 
1 1 1 -4  23 12 o 849.284 12.333 152.932 4.4358 151.280 6.2441  154.615 6.3027 844.120 17.467 853.375 17.440 -9.254639      24.68293 
1 1 1 -4  23 13 o 404.126 11.973 34.628  2.0490 34.520  2.8922  34.737  2.9034 403.228 16.937 404.489 16.950 -1.261292      23.96133 
1 1 1 -4  23 14 f 460.237 12.171 44.918  2.3723 45.657  3.4026  44.220  3.3092 463.652 17.329 456.313 17.124 7.339355       24.36272 
1 1 1 -4  23 15 o 466.325 12.607 46.126  2.4896 47.116  3.5973  45.217  3.4490 470.870 18.040 461.319 17.654 9.550995       25.24115 
1 1 1 -4  23 16 o 348.661 17.399 25.834  2.5690 26.033  3.4025  25.570  3.9182 348.760 23.169 344.966 27.037 3.794006       35.60594 
1 1 1 -4  23 17 o 725.799 17.945 112.006 5.5156 111.360 7.3186  112.856 8.3916 722.545 23.918 726.585 27.272 -4.039612      36.27407 
1 1 1 -4  23 18 o 226.713 17.917 10.998  1.7062 9.9741  2.4079  12.030  2.4179 214.321 27.138 236.160 24.535 -21.83948      36.58446 
1 1 1 -4  23 19 o 717.025 15.444 109.237 4.6898 110.057 7.5014  108.711 6.0088 717.807 24.677 714.500 19.858 3.307861       31.67510 
1 1 1 -4  23 20 o 307.053 20.946 20.201  2.7074 19.706  3.2451  21.334  4.9110 302.377 25.582 311.560 38.008 -9.183411      45.81555 
1 1 1 -4  23 21 o 505.182 16.002 54.323  3.4235 51.812  5.3827  56.028  4.4364 490.614 26.000 512.205 20.452 -21.59052      33.08019 
1 1 1 -4  23 22 o 446.928 15.998 42.563  3.0279 44.927  4.7795  40.978  3.9133 456.516 24.815 437.506 21.121 19.00983       32.58659 
1 1 1 -4  23 23 o 763.777 17.022 124.555 5.5058 127.817 8.9044  122.535 7.0055 768.692 27.353 755.513 21.895 13.17877       35.03715 
1 1 1 -4  23 24 o 207.137 19.833 9.2820  1.7185 8.8297  2.5615  9.6522  2.3173 198.832 31.468 209.511 26.727 -10.67882      41.28669 
1 1 1 -4  23 25 o 365.450 21.665 28.893  3.3381 29.796  4.1852  27.314  5.5339 369.013 26.968 347.654 38.218 21.35867       46.77517 
1 1 1 -4  23 26 o 252.743 19.658 13.856  2.0875 13.692  3.1085  13.991  2.8173 247.274 30.319 251.436 26.875 -4.161652      40.51554 
1 1 1 -4  23 27 o 311.174 34.828 22.035  4.5109 0.0000  0.0000  22.035  4.5109 ?       ?      311.174 34.828 0.000000       34.82800 
1 1 1 -4  23 28 o 369.483 21.714 29.858  3.3827 28.389  4.4430  31.884  5.2176 355.316 29.802 374.037 33.287 -18.72092      44.67900 
1 1 1 -4  23 29 o 134.947 29.909 4.2421  1.6643 5.0187  2.4133  3.5378  2.2984 143.835 38.748 122.446 39.193 21.38823       55.11367 
1 1 1 -4  24 1  f 640.964 16.764 87.253  4.5504 83.560  6.1322  91.778  6.7880 626.411 23.116 656.275 24.424 -29.86414      33.62841 
1 1 1 -4  24 2  o 361.931 11.650 27.778  1.7856 27.633  2.5545  27.916  2.4970 360.709 16.723 362.578 16.262 -1.869110      23.32572 
1 1 1 -4  24 3  f 524.544 11.438 58.343  2.5408 55.973  3.6404  60.594  3.5479 513.368 16.745 534.236 15.682 -20.86792      22.94127 
1 1 1 -4  24 4  o 154.208 15.876 5.1018  1.0220 3.0744  1.4922  6.8932  1.4026 117.695 29.883 179.127 18.769 -61.43232      35.28863 
1 1 1 -4  24 5  o 419.373 10.952 37.286  1.9452 35.022  2.7486  39.558  2.7532 406.162 15.979 431.725 15.059 -25.56314      21.95691 
1 1 1 -4  24 6  o 162.508 13.399 5.6397  0.9139 3.5354  1.3000  7.6960  1.2851 126.634 25.128 189.722 16.148 -63.08790      29.86964 
1 1 1 -4  24 7  o 783.550 13.424 130.220 4.4545 128.694 5.4997  133.129 7.5953 778.592 16.680 791.024 22.673 -12.43231      28.14746 
1 1 1 -4  24 8  o 808.990 11.737 138.750 4.0212 143.577 5.7398  134.096 5.6353 822.456 16.479 794.806 16.742 27.64948       23.49187 
1 1 1 -4  24 9  o 805.168 11.777 137.439 4.0158 135.467 5.6832  139.406 5.6752 798.872 16.799 810.435 16.535 -11.56323      23.57141 
1 1 1 -4  24 10 f 1004.25 12.764 213.850 5.4283 209.797 7.6677  217.924 7.6859 993.966 18.216 1013.08 17.915 -19.11639      25.54900 
1 1 1 -4  24 11 o 57.663  22.136 0.4691  0.7589 1.6285  1.1154  -0.5301 1.0355 87.663  27.204 50.816  22.880 36.84679       35.54655 
1 1 1 -4  24 12 f 194.760 14.891 8.0952  1.2189 8.0519  1.8411  8.1289  1.6264 193.191 22.952 194.554 20.026 -1.362915      30.46033 
1 1 1 -4  24 13 f 914.615 12.958 177.425 5.0190 173.726 7.0519  181.222 7.1449 904.263 18.415 923.591 18.267 -19.32788      25.93826 
1 1 1 -4  24 14 o 167.490 20.684 6.0569  1.4360 5.6386  1.8732  6.6529  2.2361 160.110 28.680 173.709 31.559 -13.59964      42.64412 
1 1 1 -4  24 15 o 313.835 15.866 20.970  2.1019 21.630  2.6505  19.852  3.4501 318.276 19.762 303.703 27.110 14.57309       33.54831 
1 1 1 -4  24 16 o 413.114 14.099 36.228  2.4666 31.261  3.9226  39.477  3.1723 382.039 24.372 430.957 17.382 -48.91776      29.93538 
1 1 1 -4  24 17 o 501.016 14.583 53.304  3.0941 51.070  4.9012  54.783  3.9896 489.272 23.654 507.474 18.564 -18.20142      30.06887 
1 1 1 -4  24 18 o 503.454 14.590 53.830  3.1107 51.193  4.7713  55.780  4.1024 489.883 22.999 511.971 18.921 -22.08820      29.78151 
1 1 1 -4  24 19 o 787.573 15.782 131.845 5.2639 130.110 8.3544  132.987 6.7787 780.033 25.291 789.996 20.262 -9.962585      32.40602 
1 1 1 -4  24 20 o 796.851 19.239 135.374 6.4924 128.949 8.6567  143.635 9.8154 775.396 26.362 817.548 28.350 -42.15173      38.71299 
1 1 1 -4  24 21 o 459.482 16.510 44.981  3.2125 43.835  4.8880  45.852  4.2624 450.926 25.703 462.868 21.745 -11.94153      33.66716 
1 1 1 -4  24 22 o 507.834 15.872 54.978  3.4134 59.929  5.4776  51.835  4.3644 527.757 24.508 491.876 20.952 35.88080       32.24362 
1 1 1 -4  24 23 o 328.924 17.345 23.183  2.4075 24.178  3.7381  22.478  3.1472 333.279 26.710 322.365 23.208 10.91452       35.38414 
1 1 1 -4  24 24 o 356.414 21.010 27.403  3.1572 28.376  4.0396  25.876  5.0613 360.722 26.632 340.499 35.627 20.22278       44.48090 
1 1 1 -4  24 25 o 354.167 17.645 26.916  2.6465 33.828  4.1034  21.993  3.4629 393.835 24.728 316.716 26.049 77.11887       35.91731 
1 1 1 -4  24 26 o 275.384 25.372 16.710  2.9256 0.0000  0.0000  16.710  2.9256 ?       ?      275.384 25.372 0.000000       25.37164 
1 1 1 -4  24 27 o 298.202 21.822 19.428  2.7367 19.897  3.6073  18.792  4.2007 298.408 28.908 286.284 35.403 12.12314       45.70552 
1 1 1 -4  24 28 o 134.517 28.560 4.1765  1.5767 4.1582  2.2288  4.1948  2.2308 131.868 37.898 132.417 37.873 -0.5493317     53.57767 
1 1 1 -4  24 29 o 109.758 31.316 2.8132  1.5272 3.4426  2.1902  2.2176  2.1305 120.685 38.221 103.258 37.591 17.42707       53.60884 
1 1 1 -4  25 1  o 730.590 14.527 113.252 4.4945 113.483 5.4654  112.768 7.8996 730.982 17.655 727.468 25.642 3.514282       31.13187 
1 1 1 -4  25 2  o 822.182 12.502 143.354 4.3531 146.000 6.2073  140.794 6.1064 829.104 17.679 814.183 17.710 14.92126       25.02342 
1 1 1 -4  25 3  o 847.061 12.307 152.154 4.4148 153.432 6.2949  150.917 6.1932 849.973 17.488 842.999 17.348 6.974060       24.63285 
1 1 1 -4  25 4  o 156.470 16.489 5.2549  1.0762 3.0586  1.5622  7.2387  1.4847 117.541 30.955 183.550 19.394 -66.00932      36.52863 
1 1 1 -4  25 5  o 832.666 12.018 147.009 4.2377 147.171 6.0189  146.849 5.9675 832.553 17.071 831.658 16.944 0.8946533      24.05228 
1 1 1 -4  25 6  o 452.815 10.817 43.463  2.0743 40.841  2.9522  46.019  2.9151 438.676 15.891 465.726 14.780 -27.04962      21.70209 
1 1 1 -4  25 7  o 1100.21 18.834 257.120 8.7754 254.619 12.603  259.474 12.226 1092.98 27.229 1103.62 26.158 -10.64844      37.75804 
1 1 1 -4  25 8  o 496.549 10.926 52.263  2.2976 50.410  3.3176  53.971  3.1851 487.370 16.074 504.370 14.912 -17.00000      21.92574 
1 1 1 -4  25 9  o 1336.29 14.637 378.819 8.2831 364.422 11.700  393.288 11.729 1309.33 21.100 1360.38 20.358 -51.05066      29.31999 
1 1 1 -4  25 10 o 589.532 11.403 73.678  2.8469 72.281  4.0237  75.078  4.0284 583.565 16.282 594.771 15.993 -11.20557      22.82275 
1 1 1 -4  25 11 o 99.268  23.435 2.1815  0.9694 0.5855  1.2679  4.4269  1.5040 71.383  28.259 141.957 25.974 -70.57414      38.38254 
1 1 1 -4  25 12 o 343.718 14.279 25.067  2.0784 22.626  2.6114  29.286  3.4331 325.750 19.012 370.362 21.987 -44.61285      29.06696 
1 1 1 -4  25 13 o 210.185 17.672 9.4515  1.5584 9.5265  1.9741  9.3275  2.5386 210.358 22.509 206.828 29.847 3.529816       37.38331 
1 1 1 -4  25 14 o 305.307 13.493 19.779  1.7445 19.341  2.5418  20.169  2.3987 300.862 20.065 307.465 18.508 -6.603729      27.29749 
1 1 1 -4  25 15 o 249.360 16.218 13.265  1.7034 10.705  2.7705  14.821  2.1598 221.593 30.318 263.222 19.514 -41.62904      36.05541 
1 1 1 -4  25 16 o 692.113 14.407 101.712 4.2227 102.463 6.7995  101.241 5.3876 693.139 23.164 689.898 18.440 3.240112       29.60770 
1 1 1 -4  25 17 o 620.593 14.434 81.788  3.7936 83.512  6.0649  80.679  4.8622 625.733 22.887 615.778 18.645 9.955322       29.52049 
1 1 1 -4  25 18 o 317.789 16.433 21.527  2.2041 23.870  3.4089  19.843  2.8892 333.430 24.309 304.155 22.592 29.27448       33.18622 
1 1 1 -4  25 19 o 735.435 15.429 114.989 4.8055 116.593 7.6136  113.927 6.1955 738.331 24.350 731.026 20.012 7.304565       31.51841 
1 1 1 -4  25 20 o 223.776 24.131 10.851  2.2507 9.3745  2.5563  15.942  4.7468 206.437 30.127 266.124 43.631 -59.68633      53.02219 
1 1 1 -4  25 21 o 914.221 16.706 178.208 6.4680 167.792 10.345  184.893 8.2876 881.788 27.703 929.321 21.058 -47.53308      34.79803 
1 1 1 -4  25 22 o 307.353 17.537 20.245  2.2732 22.264  3.3663  18.554  3.0819 320.437 25.005 292.317 25.140 28.11987       35.45813 
1 1 1 -4  25 23 o 274.836 21.040 16.316  2.4302 19.361  3.0320  10.844  4.0640 298.623 24.183 215.461 45.942 83.16176       51.91844 
1 1 1 -4  25 24 o 233.809 23.257 11.923  2.2722 11.752  2.7805  12.265  3.9424 230.237 29.172 230.110 42.004 0.1269379      51.14030 
1 1 1 -4  25 25 f 185.957 30.801 7.8240  2.3407 0.0000  0.0000  7.8240  2.3407 ?       ?      185.957 30.801 0.000000       30.80140 
1 1 1 -4  25 26 o 186.893 23.363 7.7176  1.8087 8.6880  2.3333  6.2567  2.8629 196.423 28.915 161.622 41.587 34.80127       50.65152 
1 1 1 -4  25 27 o 184.341 21.565 7.4898  1.6517 7.2735  2.2688  7.7337  2.4093 177.958 31.245 183.195 32.232 -5.236801      44.89017 
1 1 1 -4  25 28 o 208.222 21.889 9.5883  1.9013 13.345  2.8450  6.5562  2.5558 242.884 28.183 165.096 37.419 77.78851       46.84546 
1 1 1 -4  25 29 o 265.289 20.765 15.469  2.3143 14.944  3.3835  15.931  3.1726 254.451 32.114 264.933 28.738 -10.48244      43.09509 
1 1 1 -4  26 1  o 477.447 22.301 48.484  4.5092 48.484  4.5092  0.0000  0.0000 477.447 22.301 ?       ?      0.000000       22.30142 
1 1 1 -4  26 2  o 545.380 13.380 63.084  3.0904 63.274  3.8666  62.748  5.1421 545.953 16.723 543.137 22.356 2.815247       27.91877 
1 1 1 -4  26 3  o 561.653 13.321 66.903  3.1686 65.619  3.9108  69.357  5.4058 555.988 16.610 571.027 22.354 -15.03918      27.84925 
1 1 1 -4  26 4  o 325.544 14.028 22.480  1.9339 20.669  2.3590  26.193  3.3773 311.463 17.960 350.145 22.902 -38.68268      29.10489 
1 1 1 -4  26 5  o 616.452 13.047 80.589  3.4061 81.293  4.2217  79.276  5.7652 618.892 16.107 610.516 22.298 8.376038       27.50756 
1 1 1 -4  26 6  o 492.933 12.480 51.522  2.6053 53.635  3.2358  47.628  4.3927 502.772 15.197 473.258 21.917 29.51416       26.67078 
1 1 1 -4  26 7  o 688.409 16.226 100.581 4.7303 96.380  6.8359  104.440 6.5525 672.956 23.986 700.802 22.078 -27.84680      32.60072 
1 1 1 -4  26 8  o 502.631 13.031 53.576  2.7737 53.286  3.4695  54.091  4.6172 501.048 16.351 504.369 21.616 -3.321686      27.10395 
1 1 1 -4  26 9  o 601.922 13.066 76.837  3.3306 75.023  4.1271  80.225  5.6399 594.507 16.392 614.209 21.683 -19.70245      27.18179 
1 1 1 -4  26 10 o 471.439 13.437 47.142  2.6826 47.291  3.3540  46.878  4.4693 471.955 16.781 469.390 22.483 2.564545       28.05518 
1 1 1 -4  26 11 o 247.668 14.445 13.060  1.5085 12.695  1.8703  13.739  2.5518 243.771 18.249 252.852 24.123 -9.081573      30.24809 
1 1 1 -4  26 12 o 617.987 13.493 81.026  3.5314 77.357  4.2843  88.801  6.2370 603.515 16.763 645.789 22.805 -42.27460      28.30341 
1 1 1 -4  26 13 o 1145.68 16.117 278.770 7.8196 286.102 13.044  274.657 9.7697 1157.64 26.606 1136.19 20.304 21.45361       33.46886 
1 1 1 -4  26 14 o 436.087 13.972 40.367  2.5803 41.061  4.1120  39.915  3.3140 438.455 22.218 433.288 18.061 5.167175       28.63274 
1 1 1 -4  26 15 o 294.612 14.472 18.430  1.8056 19.329  2.6855  17.688  2.4393 300.493 21.240 287.553 20.158 12.93961       29.28308 
1 1 1 -4  26 16 o 378.833 13.519 30.466  2.1689 29.239  3.1698  31.546  2.9742 369.988 20.308 385.086 18.237 -15.09872      27.29486 
1 1 1 -4  26 17 o 724.769 14.759 111.581 4.5299 113.247 7.2658  110.522 5.7938 728.374 23.555 720.573 18.986 7.800598       30.25423 
1 1 1 -4  26 18 o 292.296 16.406 18.226  2.0226 15.872  3.1131  19.945  2.6607 270.798 27.529 305.169 20.711 -34.37091      34.44971 
1 1 1 -4  26 19 o 573.005 14.808 69.815  3.5933 67.000  5.5332  71.867  4.7253 559.604 23.348 580.540 19.220 -20.93646      30.24164 
1 1 1 -4  26 20 o 140.177 52.785 3.4987  4.2637 0.0000  0.0000  3.4987  4.2637 ?       ?      140.177 52.785 0.000000       52.78492 
1 1 1 -4  26 21 o 190.391 21.982 7.8756  1.7398 6.5299  2.4010  9.3635  2.5246 170.015 34.525 205.827 29.832 -35.81169      45.62860 
1 1 1 -4  26 22 o 136.325 29.874 4.1936  1.6771 4.2551  1.8691  3.9399  3.7989 136.857 32.697 139.421 50.282 -2.564011      59.97782 
1 1 1 -4  26 23 o 165.542 28.277 6.1177  1.9112 6.1360  2.1885  6.0590  3.9226 164.575 32.554 161.531 51.149 3.044540       60.62938 
1 1 1 -4  26 24 o 348.513 22.360 26.364  3.2827 0.0000  0.0000  26.364  3.2827 ?       ?      348.513 22.360 0.000000       22.36003 
1 1 1 -4  26 25 o 203.169 39.001 9.6699  3.2337 0.0000  0.0000  9.6699  3.2337 ?       ?      203.169 39.001 0.000000       39.00150 
1 1 1 -4  26 26 o 242.285 19.486 12.771  1.9825 16.045  2.8128  9.5383  2.7946 269.590 24.919 203.727 33.561 65.86342       41.80023 
1 1 1 -4  26 27 o 323.495 18.093 22.705  2.4687 24.881  3.6381  20.847  3.3609 334.585 25.877 305.935 26.194 28.65045       36.82025 
1 1 1 -4  26 28 f 231.129 19.831 11.722  1.9223 9.5861  2.6891  13.954  2.7490 203.027 32.362 249.079 26.466 -46.05293      41.80638 
1 1 1 -4  27 1  o 936.201 27.137 186.799 10.759 0.0000  0.0000  186.799 10.759 ?       ?      936.201 27.137 0.000000       27.13689 
1 1 1 -4  27 2  o 871.040 15.063 160.978 5.5563 141.378 10.254  169.124 6.6109 813.917 29.750 892.493 17.491 -78.57660      34.51060 
1 1 1 -4  27 3  o 659.438 12.057 92.199  3.3670 85.394  4.7810  98.894  4.7426 634.152 17.803 682.586 16.407 -48.43408      24.20971 
1 1 1 -4  27 4  o 305.176 12.190 19.747  1.5754 17.893  2.2453  21.545  2.2111 289.672 18.398 318.171 16.467 -28.49847      24.69091 
1 1 1 -4  27 5  o 905.599 12.452 173.894 4.7755 178.496 6.7939  169.400 6.7140 916.886 17.497 893.184 17.750 23.70233       24.92391 
1 1 1 -4  27 6  o 651.393 13.023 89.984  3.5925 86.554  4.4488  96.412  6.0905 638.567 16.451 673.388 21.357 -34.82037      26.95862 
1 1 1 -4  27 7  f 561.779 16.056 66.984  3.8199 64.628  5.5626  69.087  5.2547 551.026 23.838 569.963 21.770 -18.93750      32.28260 
1 1 1 -4  27 8  o 412.074 11.452 36.000  1.9985 38.621  2.9383  33.744  2.7261 426.544 16.266 398.711 16.145 27.83270       22.91851 
1 1 1 -4  27 9  o 318.674 13.998 21.545  1.8891 14.948  3.4313  24.414  2.2630 262.600 31.482 339.144 15.756 -76.54376      35.20506 
1 1 1 -4  27 10 o 460.467 13.430 44.979  2.6189 47.860  4.5182  43.522  3.2139 474.191 22.499 452.713 16.763 21.47806       28.05746 
1 1 1 -4  27 11 o 296.366 13.733 18.636  1.7236 16.564  2.8203  19.872  2.1775 277.773 24.218 305.405 16.902 -27.63287      29.53230 
1 1 1 -4  27 12 o 402.469 13.119 34.368  2.2361 30.838  3.6600  36.470  2.8245 379.789 22.863 414.384 16.095 -34.59500      27.95988 
1 1 1 -4  27 13 f 494.460 12.226 51.867  2.5601 51.465  3.6282  52.265  3.6128 492.068 17.411 495.902 17.203 -3.833801      24.47610 
1 1 1 -4  27 14 o 405.362 15.840 34.910  2.7191 29.308  5.7089  36.554  3.0924 366.869 37.262 414.632 17.611 -47.76321      41.21449 
1 1 1 -4  27 15 o 217.951 16.821 10.158  1.5406 13.185  2.2675  7.5626  2.0997 247.763 21.834 186.065 27.473 61.69798       35.09251 
1 1 1 -4  27 16 o 636.227 13.114 85.926  3.5334 85.757  5.1044  86.082  4.8962 634.730 18.989 636.072 18.176 -1.341919      26.28654 
1 1 1 -4  27 17 f 504.280 14.244 54.017  3.0419 50.897  4.8045  56.105  3.9299 488.219 23.238 513.438 18.074 -25.21896      29.43909 
1 1 1 -4  27 18 o 395.064 15.149 33.184  2.5346 32.617  3.9395  33.585  3.3108 389.761 23.983 396.882 19.698 -7.121460      31.03575 
1 1 1 -4  27 19 o 365.189 16.009 28.395  2.4758 25.586  3.8236  30.423  3.2489 344.055 26.444 376.817 20.436 -32.76135      33.42045 
1 1 1 -4  27 20 o 376.489 34.830 31.185  5.4904 0.0000  0.0000  31.185  5.4904 ?       ?      376.489 34.830 0.000000       34.83049 
1 1 1 -4  27 21 o 642.426 18.992 88.329  5.1671 90.968  6.6284  84.243  8.2495 649.851 24.085 620.921 31.475 28.92944       39.63318 
1 1 1 -4  27 22 o 453.004 16.244 43.836  3.1163 44.348  4.6600  43.422  4.1913 452.545 24.406 449.214 22.032 3.331116       32.87928 
1 1 1 -4  27 23 o 230.851 28.603 11.797  2.7364 0.0000  0.0000  11.797  2.7364 ?       ?      230.851 28.603 0.000000       28.60303 
1 1 1 -4  27 24 o 239.780 32.994 12.997  3.2616 0.0000  0.0000  12.997  3.2616 ?       ?      239.780 32.994 0.000000       32.99375 
1 1 1 -4  27 25 o 174.820 22.237 6.7419  1.6091 4.6904  2.2459  8.9056  2.3065 141.082 37.097 199.149 28.131 -58.06650      46.55704 
1 1 1 -4  27 26 o 301.496 20.938 19.841  2.6569 22.769  3.3772  15.086  4.3038 321.067 25.036 251.683 41.849 69.38393       48.76573 
1 1 1 -4  27 27 o 124.110 26.465 3.5407  1.3485 3.5606  1.8448  3.5178  1.9762 122.613 34.224 121.808 35.883 0.8042526      49.58710 
1 1 1 -4  27 28 o 107.965 27.762 2.7112  1.2765 2.2894  1.7344  3.2095  1.8854 101.220 34.133 116.430 35.228 -15.21034      49.05159 
1 1 1 -4  28 1  o 1277.55 21.109 346.999 11.421 360.731 15.668  331.433 16.682 1300.44 28.450 1245.44 31.629 55.00183       42.54132 
1 1 1 -4  28 2  o 577.526 17.905 70.831  4.3792 72.248  6.5377  69.678  5.8978 582.263 26.513 572.099 24.343 10.16449       35.99343 
1 1 1 -4  28 3  o 1408.39 18.142 421.276 10.820 388.271 19.240  436.546 13.086 1347.12 33.725 1432.79 21.566 -85.67249      40.03070 
1 1 1 -4  28 4  o 375.707 14.059 29.944  2.2368 28.348  4.0357  30.651  2.6874 363.787 26.375 379.978 16.701 -16.19101      31.21783 
1 1 1 -4  28 5  o 602.381 13.237 76.960  3.3768 75.126  6.1339  77.758  4.0450 593.997 24.384 605.286 15.780 -11.28900      29.04486 
1 1 1 -4  28 6  o 592.147 13.189 74.369  3.3074 78.252  6.0446  72.709  3.9513 606.319 23.541 585.282 15.942 21.03674       28.43091 
1 1 1 -4  28 7  o 340.086 17.744 24.632  2.5466 19.791  3.8181  28.511  3.4180 302.922 30.164 365.402 22.193 -62.48056      37.44864 
1 1 1 -4  28 8  o 461.946 13.002 45.262  2.5436 41.124  4.6550  47.024  3.0371 438.583 25.168 470.701 15.236 -32.11731      29.42055 
1 1 1 -4  28 9  o 80.750  28.645 1.2037  1.2280 3.3667  2.1586  0.1690  1.4931 124.684 37.688 70.694  29.630 53.98996       47.94054 
1 1 1 -4  28 10 o 153.964 20.656 5.1323  1.3129 4.7554  1.9902  5.4227  1.7469 146.141 32.944 157.181 27.231 -11.04002      42.74139 
1 1 1 -4  28 11 o 369.500 12.151 28.960  1.9014 27.269  2.6681  30.706  2.7103 358.205 17.588 380.165 16.835 -21.95959      24.34642 
1 1 1 -4  28 12 o 165.301 16.500 5.8631  1.1397 6.6461  1.6915  5.2121  1.5423 175.038 23.405 154.470 24.385 20.56851       33.79965 
1 1 1 -4  28 13 o 766.652 12.607 124.720 4.0932 123.314 5.8357  126.082 5.7428 761.457 18.097 770.045 17.610 -8.588501      25.25105 
1 1 1 -4  28 14 o 647.160 12.671 88.884  3.4727 82.335  4.9565  95.199  4.8670 622.012 18.816 669.118 17.176 -47.10614      25.47648 
1 1 1 -4  28 15 o 284.535 14.931 17.246  1.7928 19.431  2.5920  15.242  2.4824 301.324 20.433 266.431 22.203 34.89362       30.17467 
1 1 1 -4  28 16 o 151.397 22.462 4.9950  1.3965 6.1221  2.2160  4.2527  1.7986 165.898 32.705 137.985 31.475 27.91251       45.39060 
1 1 1 -4  28 17 o 631.369 14.611 84.716  3.9066 91.360  6.2348  80.421  5.0125 654.028 22.510 614.331 19.267 39.69702       29.62979 
1 1 1 -4  28 18 o 467.373 15.014 46.465  2.9717 44.934  4.7197  47.470  3.8251 457.263 24.462 471.730 19.147 -14.46753      31.06414 
1 1 1 -4  28 19 o 234.787 23.270 11.937  2.2833 12.337  2.8618  11.236  3.7873 237.291 29.088 222.482 41.730 14.80969       50.86769 
1 1 1 -4  28 20 o 761.528 27.938 125.514 9.0099 0.0000  0.0000  125.514 9.0099 ?       ?      761.528 27.938 0.000000       27.93753 
1 1 1 -4  28 21 o 262.788 17.675 14.834  1.9556 14.534  2.8001  15.120  2.7325 257.984 25.983 263.534 24.774 -5.550018      35.90127 
1 1 1 -4  28 22 o 302.033 24.382 19.848  3.0921 0.0000  0.0000  19.848  3.0921 ?       ?      302.033 24.382 0.000000       24.38238 
1 1 1 -4  28 23 o 204.235 35.251 9.5203  2.9387 0.0000  0.0000  9.5203  2.9387 ?       ?      204.235 35.251 0.000000       35.25060 
1 1 1 -4  28 24 o 342.559 17.446 25.302  2.5225 25.548  3.7366  25.096  3.4193 340.488 26.112 338.469 24.010 2.018524       35.47332 
1 1 1 -4  28 25 o 294.533 17.525 18.753  2.1760 18.919  3.2080  18.612  2.9615 292.202 26.203 290.719 24.276 1.483490       35.72023 
1 1 1 -4  28 26 o 279.946 21.345 17.181  2.5115 15.699  3.2338  19.434  3.9870 263.505 29.484 291.318 32.893 -27.81229      44.17328 
1 1 1 -4  28 27 o 232.779 19.780 11.893  1.9314 11.265  2.7430  12.511  2.7201 221.572 30.004 234.850 27.895 -13.27838      40.96797 
1 1 1 -4  28 28 o 100.971 28.170 2.3663  1.2502 0.8940  1.6862  4.1636  1.8631 80.690  32.374 132.075 33.313 -51.38448      46.45240 
1 1 1 -4  29 1  o 327.875 13.946 22.806  1.9364 24.685  3.1515  21.666  2.4544 339.943 22.009 318.847 18.253 21.09552       28.59325 
1 1 1 -4  29 2  o 1142.92 14.055 277.124 6.8028 278.652 9.7023  275.646 9.5410 1144.95 20.010 1138.81 19.783 6.141602       28.13844 
1 1 1 -4  29 3  o 234.177 16.930 11.704  1.6677 12.216  2.1156  10.865  2.7104 238.749 21.142 223.728 29.312 15.02019       36.14091 
1 1 1 -4  29 4  o 505.193 13.556 54.139  2.9001 50.635  3.5368  61.331  5.0670 488.312 17.103 536.877 22.286 -48.56531      28.09206 
1 1 1 -4  29 5  o 357.094 13.653 27.051  2.0647 23.962  2.5575  32.834  3.4990 335.367 18.074 392.343 21.137 -56.97586      27.81055 
1 1 1 -4  29 6  o 719.118 11.699 109.653 3.5628 110.230 5.1192  109.112 4.9617 720.474 16.778 716.862 16.344 3.612061       23.42261 
1 1 1 -4  29 7  o 469.435 13.242 46.749  2.6326 44.897  4.8395  47.527  3.1374 458.288 25.030 473.152 15.658 -14.86444      29.52423 
1 1 1 -4  29 8  o 303.196 12.612 19.499  1.6194 19.519  2.4845  19.485  2.1353 302.359 19.508 302.426 16.737 -0.6674194E-01 25.70391 
1 1 1 -4  29 9  f 245.773 14.808 12.869  1.5341 13.156  2.3462  12.655  2.0275 247.513 22.634 243.114 19.867 4.398773       30.11614 
1 1 1 -4  29 10 o 283.146 14.425 17.063  1.7240 19.275  2.5385  15.170  2.3486 300.309 20.076 266.127 21.010 34.18204       29.05995 
1 1 1 -4  29 11 o 654.308 11.986 90.821  3.3214 84.169  4.6816  97.562  4.7128 629.221 17.569 677.604 16.423 -48.38281      24.04989 
1 1 1 -4  29 12 o 342.891 12.208 24.946  1.7727 24.157  2.5159  25.725  2.4982 336.585 17.712 347.872 16.958 -11.28656      24.52149 
1 1 1 -4  29 13 o 137.751 23.449 4.1602  1.3189 6.6053  2.0921  2.5474  1.6991 173.199 29.586 108.828 33.544 64.37096       44.72699 
1 1 1 -4  29 14 o 426.772 13.279 38.667  2.3999 36.942  3.4800  40.231  3.3140 416.487 19.730 434.846 17.996 -18.35956      26.70483 
1 1 1 -4  29 15 o 543.346 13.166 62.680  3.0295 58.907  4.3373  66.274  4.2334 525.906 19.475 558.075 17.912 -32.16864      26.45970 
1 1 1 -4  29 16 o 552.503 13.168 64.825  3.0810 66.192  4.4460  63.562  4.2734 557.454 18.833 546.329 18.471 11.12549       26.37869 
1 1 1 -4  29 17 o 502.777 17.599 53.848  3.7473 59.218  4.9676  46.756  5.7081 526.307 22.287 465.233 29.119 61.07401       36.66909 
1 1 1 -4  29 18 o 696.822 17.941 103.579 5.2943 113.492 7.0871  91.061  7.9638 727.683 22.997 649.531 28.952 78.15155       36.97430 
1 1 1 -4  29 19 o 365.803 19.316 28.698  2.9817 30.096  3.8646  26.641  4.6869 373.189 24.591 348.517 32.117 24.67200       40.44988 
1 1 1 -4  29 20 f 206.178 27.767 9.3695  2.3628 0.0000  0.0000  9.3695  2.3628 ?       ?      206.178 27.767 0.000000       27.76691 
1 1 1 -4  29 21 o 110.819 37.983 2.5542  2.1481 0.0000  0.0000  2.5542  2.1481 ?       ?      110.819 37.983 0.000000       37.98338 
1 1 1 -4  29 22 o 175.738 23.292 6.7875  1.6907 7.0942  2.1730  6.3171  2.6914 177.748 29.931 164.745 39.153 13.00250       49.28348 
1 1 1 -4  29 23 o 160.390 20.247 5.6364  1.3446 5.3214  1.7841  6.0504  2.0457 153.356 28.521 163.016 30.760 -9.660568      41.94780 
1 1 1 -4  29 24 o 507.511 16.045 55.323  3.4486 55.438  5.3759  55.243  4.4954 502.163 25.361 504.578 21.038 -2.414612      32.95126 
1 1 1 -4  29 25 o 78.525  28.172 1.1960  1.1910 -1.2070 1.5801  4.3562  1.8121 58.152  26.953 136.753 31.878 -78.60118      41.74595 
1 1 1 -4  29 26 o 174.105 24.945 6.8216  1.7867 6.2515  2.2838  7.7212  2.8687 162.546 34.257 178.614 39.017 -16.06754      51.92127 
1 1 1 -4  29 27 o 271.009 19.075 16.076  2.1753 17.756  3.1862  14.608  2.9771 280.340 27.179 253.458 28.215 26.88148       39.17588 
1 1 1 -4  30 1  o 773.122 14.232 126.830 4.6597 136.369 7.8105  121.559 5.8062 800.305 23.045 756.392 18.126 43.91339       29.31937 
1 1 1 -4  30 2  o 155.023 20.935 5.2034  1.3392 4.4578  1.9970  5.8128  1.8054 141.464 33.797 162.935 27.118 -21.47092      43.33136 
1 1 1 -4  30 3  o 895.455 14.599 170.165 5.5362 166.738 9.4179  171.974 6.8434 884.458 25.144 899.689 17.961 -15.23071      30.90015 
1 1 1 -4  30 4  o 314.848 12.826 21.027  1.7102 23.506  2.5518  19.005  2.3042 332.105 18.213 298.502 18.317 33.60370       25.83062 
1 1 1 -4  30 5  o 395.653 13.625 33.214  2.2830 35.595  2.8303  28.779  3.8626 409.410 16.324 366.585 25.030 42.82471       29.88274 
1 1 1 -4  30 6  o 137.638 22.702 4.1393  1.2771 4.3408  1.6587  3.8458  2.0015 140.001 28.933 131.597 35.220 8.404099       45.58004 
1 1 1 -4  30 7  o 415.947 16.910 36.755  2.9786 36.547  4.5232  36.915  3.9580 413.041 25.991 415.715 22.567 -2.674042      34.42102 
1 1 1 -4  30 8  o 255.117 16.232 13.881  1.7446 15.594  2.2714  11.416  2.7245 269.992 20.008 229.324 28.681 40.66708       34.97020 
1 1 1 -4  30 9  o 620.691 13.985 81.779  3.6761 85.408  4.5298  74.778  6.2912 633.958 16.872 591.907 25.098 42.05090       30.24207 
1 1 1 -4  30 10 o 193.405 23.026 8.0866  1.8489 10.979  2.3135  2.9741  3.0758 225.491 24.628 126.196 45.274 99.29523       51.53873 
1 1 1 -4  30 11 o 231.531 18.291 11.474  1.7788 11.259  2.1041  12.011  3.3302 228.794 21.987 233.813 34.684 -5.018967      41.06579 
1 1 1 -4  30 12 o 339.570 14.793 24.494  2.1273 24.858  2.6214  23.792  3.6402 341.327 18.201 332.569 26.055 8.758453       31.78274 
1 1 1 -4  30 13 f 205.912 21.167 9.1319  1.8195 10.396  2.2922  6.9783  2.9915 219.143 25.155 175.934 40.923 43.20865       48.03623 
1 1 1 -4  30 14 o 630.313 14.933 84.418  3.9862 81.039  4.9726  90.493  6.6679 616.902 19.034 650.773 24.194 -33.87061      30.78391 
1 1 1 -4  30 15 o 305.402 18.767 19.939  2.4155 20.669  3.0692  18.751  3.9153 310.134 23.545 293.434 32.027 16.69986       39.75017 
1 1 1 -4  30 16 o 226.743 21.319 11.074  2.0231 13.443  2.5000  6.5786  3.4434 249.514 23.954 170.037 46.487 79.47762       52.29533 
1 1 1 -4  30 17 o 734.914 14.924 114.928 4.6448 126.138 7.5803  108.189 5.8774 767.203 23.331 711.805 19.497 55.39819       30.40539 
1 1 1 -4  30 18 o 282.936 20.986 17.237  2.4967 0.0000  0.0000  17.237  2.4967 ?       ?      282.936 20.986 0.000000       20.98634 
1 1 1 -4  30 19 o 237.972 38.492 12.797  3.7467 0.0000  0.0000  12.797  3.7467 ?       ?      237.972 38.492 0.000000       38.49171 
1 1 1 -4  30 20 o 157.241 37.322 5.6865  2.4480 0.0000  0.0000  5.6865  2.4480 ?       ?      157.241 37.322 0.000000       37.32155 
1 1 1 -4  30 21 o 308.934 18.866 20.552  2.4564 20.013  3.2249  21.296  3.7912 302.812 25.382 310.994 29.126 -8.182526      38.63316 
1 1 1 -4  30 22 o 132.010 25.797 3.9190  1.3905 2.6524  1.8075  5.7550  2.1763 109.394 34.730 158.297 33.508 -48.90325      48.25922 
1 1 1 -4  30 23 o 210.127 18.807 9.5972  1.6558 7.1727  2.4173  11.740  2.2728 176.323 33.600 230.976 23.565 -54.65291      41.03969 
1 1 1 -4  30 24 o 299.082 16.708 19.309  2.1078 19.364  3.1007  19.262  2.8739 296.082 24.962 296.176 23.095 -0.9442139E-01 34.00681 
1 1 1 -4  30 25 o 204.296 19.896 9.1485  1.6995 8.2537  2.3741  10.089  2.4339 189.660 30.600 211.356 27.872 -21.69571      41.39140 
1 1 1 -4  30 26 o 158.219 26.353 5.7113  1.7036 3.6753  2.0937  9.7005  2.9307 123.746 37.052 202.142 35.532 -78.39613      51.33619 
1 1 1 -4  30 27 o 115.843 28.564 3.1440  1.3925 1.6920  1.8703  4.9498  2.0858 93.302  34.994 143.335 34.727 -50.03319      49.30066 
1 1 1 -4  31 1  o 520.058 12.214 57.366  2.6899 60.591  3.9173  54.488  3.7002 534.019 17.322 506.419 17.253 27.59988       24.44824 
1 1 1 -4  31 2  o 78.456  28.053 1.1188  1.1800 1.3763  1.6786  0.8673  1.6592 90.198  33.285 82.794  32.468 7.404343       46.49791 
1 1 1 -4  31 3  o 353.986 13.218 26.586  1.9815 26.355  2.8621  26.799  2.7461 351.524 19.300 354.598 18.350 -3.074005      26.63082 
1 1 1 -4  31 4  o 398.019 13.750 33.618  2.3176 39.520  4.1599  30.962  2.7909 430.101 22.921 381.727 17.264 48.37411       28.69553 
1 1 1 -4  31 5  o 456.784 13.244 44.273  2.5620 47.509  4.3525  42.558  3.1693 472.344 21.759 447.568 16.721 24.77615       27.44163 
1 1 1 -4  31 6  o 390.390 13.325 32.341  2.2029 29.016  3.7395  34.108  2.7262 368.095 24.122 400.716 16.065 -32.62064      28.98185 
1 1 1 -4  31 7  o 593.398 23.220 75.072  5.8353 0.0000  0.0000  75.072  5.8353 ?       ?      593.398 23.220 0.000000       23.22044 
1 1 1 -4  31 8  o 595.626 11.770 75.259  2.9689 77.082  4.3756  73.703  4.0416 602.178 17.158 588.956 16.204 13.22235       23.60043 
1 1 1 -4  31 9  o 334.638 13.410 23.771  1.9004 27.436  2.8307  20.763  2.5642 358.617 18.704 311.717 19.523 46.90057       27.03615 
1 1 1 -4  31 10 o 624.801 14.499 82.909  3.8363 84.389  4.7378  80.092  6.5378 629.876 17.761 612.236 25.216 17.64026       30.84299 
1 1 1 -4  31 11 o 243.573 17.612 12.685  1.8045 14.562  2.1375  8.0320  3.3662 260.786 19.496 188.570 43.094 72.21658       47.29850 
1 1 1 -4  31 12 o 475.344 14.094 47.990  2.8371 48.706  3.5396  46.703  4.7446 478.488 17.468 466.964 24.074 11.52451       29.74386 
1 1 1 -4  31 13 o 183.761 18.365 7.2589  1.4101 10.585  2.1352  4.6865  1.8778 221.480 23.105 144.916 31.496 76.56303       39.06231 
1 1 1 -4  31 14 o 405.448 13.544 34.916  2.3255 33.241  3.4049  36.380  3.1838 394.314 20.461 413.352 18.188 -19.03857      27.37578 
1 1 1 -4  31 15 o 289.193 23.300 18.000  2.8293 6.4460  5.5788  22.001  3.2829 175.322 61.148 319.662 24.435 -144.3407      65.84957 
1 1 1 -4  31 16 o 67.187  28.863 -0.0762 1.4774 -3.8341 4.8989  0.2998  1.5496 101.749 47.264 73.117  30.377 28.63209       56.18435 
1 1 1 -4  31 17 o 621.614 16.325 82.372  4.2975 72.762  8.8768  85.313  4.9114 575.462 36.615 632.059 18.349 -56.59656      40.95545 
1 1 1 -4  31 18 f 186.714 26.726 7.6782  2.0530 0.0000  0.0000  7.6782  2.0530 ?       ?      186.714 26.726 0.000000       26.72611 
1 1 1 -4  31 19 o 231.015 28.040 11.749  2.6870 11.749  2.6870  0.0000  0.0000 231.015 28.040 ?       ?      0.000000       28.04037 
1 1 1 -4  31 20 o 601.854 18.339 77.642  4.6743 81.095  6.2070  73.118  7.1045 612.487 23.930 578.091 29.113 34.39520       37.68584 
1 1 1 -4  31 21 o 177.050 22.627 6.8807  1.6578 7.6087  2.5321  6.3346  2.1931 182.667 33.983 166.887 32.198 15.78033       46.81422 
1 1 1 -4  31 22 o 192.352 18.548 8.0390  1.4922 3.6757  2.1616  12.011  2.0624 126.071 37.625 234.727 20.969 -108.6552      43.07368 
1 1 1 -4  31 23 o 112.947 26.840 2.9202  1.2648 4.8753  1.8320  1.1392  1.7485 145.372 30.719 85.713  33.408 59.65907       45.38482 
1 1 1 -4  31 24 f 181.955 18.965 7.2405  1.4399 10.124  2.1551  4.9156  1.9352 213.527 24.264 145.143 32.315 68.38359       40.41029 
1 1 1 -4  31 25 o 200.367 21.348 8.8750  1.7835 7.7861  2.5040  9.9963  2.5410 181.996 33.730 209.000 29.532 -27.00414      44.83140 
1 1 1 -4  31 26 o 189.296 23.947 8.0525  1.8768 7.6512  2.3740  8.7212  3.0646 180.406 32.258 188.443 39.657 -8.036255      51.11988 
1 1 1 -4  31 27 o 299.834 18.578 19.659  2.3473 21.765  3.4465  17.836  3.2058 310.631 26.451 280.440 27.341 30.19098       38.04192 
1 1 1 -4  32 1  o 536.264 12.289 61.009  2.7909 59.208  4.0593  62.624  3.8433 527.692 18.165 542.877 16.717 -15.18463      24.68632 
1 1 1 -4  32 2  o 94.064  28.716 1.8986  1.2487 1.4922  1.8279  2.2541  1.7099 93.919  34.719 104.128 33.852 -10.20963      48.49058 
1 1 1 -4  32 3  o 622.188 14.151 82.179  3.7287 81.834  4.6014  82.839  6.3637 620.461 17.512 623.178 24.113 -2.716980      29.80104 
1 1 1 -4  32 4  o 468.086 11.865 46.479  2.3519 44.073  3.3941  48.701  3.2621 455.318 17.602 478.780 16.089 -23.46249      23.84687 
1 1 1 -4  32 5  o 220.763 14.403 10.392  1.3392 10.500  1.9597  10.297  1.8343 221.030 21.196 219.046 19.995 1.984100       29.13866 
1 1 1 -4  32 6  o 608.724 11.866 78.610  3.0590 83.989  4.4247  73.686  4.2336 628.631 16.621 588.765 16.980 39.86609       23.76026 
1 1 1 -4  32 7  o 229.347 16.984 11.243  1.6379 10.614  3.4682  11.424  1.8581 218.525 38.903 230.896 19.176 -12.37170      43.37212 
1 1 1 -4  32 8  o 281.568 19.829 16.964  2.3494 18.490  3.8615  16.068  2.9603 291.750 31.768 272.960 25.920 18.78973       41.00019 
1 1 1 -4  32 9  o 265.333 17.117 15.033  1.9131 13.657  3.5648  15.590  2.2672 249.492 34.677 269.817 19.984 -20.32527      40.02344 
1 1 1 -4  32 10 o 598.789 14.574 76.168  3.6958 81.377  6.8075  73.991  4.4009 616.729 26.064 589.727 17.621 27.00153       31.46222 
1 1 1 -4  32 11 o 174.429 25.157 6.6362  1.8046 2.7510  3.7222  7.8300  2.0633 129.785 49.214 189.496 26.431 -59.71158      55.86229 
1 1 1 -4  32 12 o 341.404 15.157 24.772  2.1914 32.715  4.3488  22.068  2.5371 389.994 26.488 321.387 18.722 68.60733       32.43629 
1 1 1 -4  32 13 o 518.311 15.276 57.111  3.3532 57.751  6.5959  56.888  3.8939 517.385 30.235 516.934 17.787 0.4505615      35.07896 
1 1 1 -4  32 14 o 295.313 19.345 18.673  2.4060 23.936  5.6548  17.510  2.6587 328.607 41.564 285.420 22.170 43.18726       47.10702 
1 1 1 -4  32 15 o 431.052 16.917 39.585  3.0881 26.246  6.7452  43.122  3.4735 340.906 48.055 449.676 18.240 -108.7706      51.39972 
1 1 1 -4  32 16 f 488.315 13.650 50.725  2.8227 47.518  4.1564  53.471  3.8456 471.182 20.830 500.470 18.144 -29.28802      27.62412 
1 1 1 -4  32 17 o 194.795 22.325 8.2509  1.8084 9.3965  2.4472  6.8729  2.6840 206.379 28.784 173.587 37.599 32.79233       47.35212 
1 1 1 -4  32 18 o 254.946 20.565 14.039  2.2015 11.768  3.0858  16.392  3.1416 229.764 32.630 273.619 27.483 -43.85544      42.66232 
1 1 1 -4  32 19 o 234.131 22.472 11.920  2.2008 11.710  2.7747  12.277  3.6138 230.020 29.138 232.249 38.061 -2.229233      47.93389 
1 1 1 -4  32 20 o 172.811 21.165 6.5268  1.5165 5.5903  2.4391  7.1169  1.9363 155.260 37.515 179.135 26.308 -23.87550      45.82020 
1 1 1 -4  32 21 o 267.417 17.323 15.417  1.9512 16.038  3.1027  15.010  2.5096 269.187 27.608 262.141 22.834 7.046326       35.82741 
1 1 1 -4  32 22 o 82.449  28.507 1.3893  1.2112 1.2435  2.0214  1.4710  1.5129 90.930  35.780 87.395  31.699 3.534843       47.80212 
1 1 1 -4  32 23 o 452.094 15.399 43.910  2.9482 42.277  4.5350  45.104  3.8799 438.185 24.537 455.906 20.096 -17.72076      31.71609 
1 1 1 -4  32 24 o 320.536 16.648 22.226  2.2521 25.299  3.5088  20.073  2.9368 337.861 24.694 301.585 23.172 36.27579       33.86333 
1 1 1 -4  32 25 o 381.742 16.679 31.549  2.6963 32.502  4.0188  30.769  3.6362 381.588 25.007 372.598 23.159 8.989807       34.08374 
1 1 1 -4  32 26 o 145.501 29.340 4.9546  1.7455 5.9109  2.1971  3.3184  2.8739 156.965 34.033 120.146 43.672 36.81911       55.36704 
1 1 1 -4  33 1  o 459.998 12.796 44.906  2.4927 46.245  3.5468  43.599  3.5041 466.294 17.961 452.721 18.277 13.57245       25.62518 
1 1 1 -4  33 2  o 509.514 12.678 55.093  2.7357 54.788  3.9126  55.384  3.8264 507.504 18.205 510.321 17.705 -2.816742      25.39473 
1 1 1 -4  33 3  o 402.266 12.973 34.345  2.2101 32.520  3.1450  36.125  3.1064 390.910 18.998 412.133 17.798 -21.22305      26.03243 
1 1 1 -4  33 4  o 322.340 12.915 22.053  1.7630 22.481  2.6074  21.692  2.3929 324.456 19.060 318.864 17.792 5.592255       26.07348 
1 1 1 -4  33 5  o 525.510 11.833 58.593  2.6335 57.579  3.7956  59.535  3.6568 520.356 17.224 529.239 16.316 -8.883728      23.72501 
1 1 1 -4  33 6  o 970.666 13.096 200.007 5.3832 195.112 7.7149  204.651 7.5150 957.381 19.028 980.755 18.094 -23.37421      26.25749 
1 1 1 -4  33 7  o 206.654 17.475 9.1483  1.5150 11.992  2.4911  7.4795  1.9085 235.513 25.377 185.465 24.930 50.04842       35.57389 
1 1 1 -4  33 8  o 276.029 17.856 16.279  2.0761 20.489  2.8905  11.794  2.9839 309.106 22.230 232.305 31.112 76.80057       38.23794 
1 1 1 -4  33 9  o 329.353 14.243 23.042  1.9866 28.216  3.0841  19.374  2.5971 363.330 20.123 300.801 20.510 62.52850       28.73267 
1 1 1 -4  33 10 o 550.593 12.563 64.354  2.9294 64.118  4.2733  64.564  4.0235 548.785 18.387 550.872 17.247 -2.087769      25.21004 
1 1 1 -4  33 11 o 169.742 22.835 6.2613  1.5998 8.3091  2.4110  4.6504  2.1384 194.425 30.266 143.911 35.345 50.51479       46.53279 
1 1 1 -4  33 12 o 283.631 14.290 17.138  1.7110 18.275  2.5026  16.139  2.3445 292.033 20.363 274.356 20.323 17.67719       28.76932 
1 1 1 -4  33 13 o 376.730 13.459 30.156  2.1472 30.359  3.1089  29.970  2.9692 376.784 19.551 374.973 18.698 1.811005       27.05283 
1 1 1 -4  33 14 o 106.556 29.896 2.5194  1.4039 5.3428  2.1277  0.3420  1.8684 154.139 33.547 79.914  33.292 74.22565       47.26251 
1 1 1 -4  33 15 o 203.079 22.603 8.9480  1.9109 9.0851  2.5134  8.7602  2.9416 202.799 30.186 197.286 36.555 5.512817       47.40735 
1 1 1 -4  33 16 o 295.947 18.416 18.795  2.2967 21.420  2.9575  14.807  3.6452 315.072 22.309 258.167 34.182 56.90424       40.81783 
1 1 1 -4  33 17 o 149.733 22.195 4.9217  1.3648 4.4595  2.1305  5.2434  1.7774 139.654 35.843 153.093 28.462 -13.43901      45.76902 
1 1 1 -4  33 18 o 515.594 15.050 56.745  3.2862 64.924  5.2825  51.582  4.1972 548.686 22.734 489.994 20.227 58.69159       30.42961 
1 1 1 -4  33 19 o 123.795 42.998 3.2436  2.7572 0.0000  0.0000  3.2436  2.7572 ?       ?      123.795 42.998 0.000000       42.99829 
1 1 1 -4  33 20 o 325.320 15.898 22.663  2.1903 25.460  3.5102  20.879  2.8030 341.427 24.438 310.138 21.473 31.28925       32.53209 
1 1 1 -4  33 21 o 202.356 19.684 8.9285  1.6655 11.218  2.6382  7.4112  2.1475 223.803 28.480 181.100 28.978 42.70285       40.63050 
1 1 1 -4  33 22 f 117.772 28.089 3.1931  1.3813 7.3356  2.1763  0.3985  1.7875 179.371 29.688 77.344  32.419 102.0266       43.95863 
1 1 1 -4  33 23 o 185.979 19.466 7.5815  1.5104 8.0539  2.1504  7.1215  2.1220 188.607 27.753 176.456 29.433 12.15150       40.45365 
1 1 1 -4  33 24 f 230.120 18.466 11.575  1.7844 11.430  2.6893  11.688  2.3850 223.683 29.078 228.322 25.080 -4.638123      38.39907 
1 1 1 -4  33 25 o 136.719 22.420 4.2216  1.2531 4.4391  1.9583  4.0708  1.6306 135.657 34.120 131.358 29.974 4.299316       45.41597 
1 1 1 -4  33 26 o 284.565 21.669 17.947  2.5917 20.067  3.3459  14.768  4.0978 297.537 26.843 244.611 41.009 52.92587       49.01352 
1 1 1 -4  34 1  o 443.022 12.950 41.664  2.4296 37.380  3.5067  45.618  3.3694 418.934 19.765 463.128 17.179 -44.19431      26.18765 
1 1 1 -4  34 2  o 439.891 13.105 41.079  2.4413 43.452  3.4877  38.801  3.4185 451.871 18.226 426.921 18.908 24.94971       26.26173 
1 1 1 -4  34 3  o 304.687 14.595 19.721  1.8833 18.335  2.8305  20.821  2.5227 292.203 23.061 312.128 19.177 -19.92474      29.99285 
1 1 1 -4  34 4  o 256.977 14.602 14.074  1.5826 11.855  2.3938  15.796  2.1093 234.306 24.486 271.805 18.433 -37.49884      30.64908 
1 1 1 -4  34 5  o 479.377 11.952 48.767  2.4264 50.393  3.5662  47.367  3.3108 486.710 17.302 471.961 16.565 14.74850       23.95296 
1 1 1 -4  34 6  f 172.521 18.345 6.4061  1.3198 5.7839  2.0423  6.8523  1.7293 161.445 30.998 177.601 23.575 -16.15570      38.94473 
1 1 1 -4  34 7  o 293.074 16.655 18.327  2.0586 15.498  4.1395  19.256  2.3728 264.997 37.972 300.136 18.762 -35.13824      42.35386 
1 1 1 -4  34 8  o 363.043 15.790 28.022  2.4276 25.998  3.1905  30.804  3.7412 348.397 21.732 379.019 23.423 -30.62207      31.95198 
1 1 1 -4  34 9  o 186.296 18.971 7.4680  1.4758 5.0908  2.4568  8.8102  1.8460 150.382 38.433 202.014 21.930 -51.63165      44.24924 
1 1 1 -4  34 10 o 245.807 17.683 12.928  1.8284 11.364  2.8792  13.985  2.3669 227.905 30.605 254.986 22.139 -27.08080      37.77323 
1 1 1 -4  34 11 o 202.117 20.146 8.7979  1.7014 8.3798  2.6881  9.0774  2.1977 194.273 33.906 204.223 26.001 -9.949860      42.72758 
1 1 1 -4  34 12 o 361.449 15.344 27.791  2.3487 27.022  2.9582  29.103  3.8632 355.344 19.735 367.676 24.958 -12.33197      31.81825 
1 1 1 -4  34 13 o 535.001 14.870 60.902  3.3692 59.547  4.2049  63.333  5.6309 528.249 18.796 543.330 24.472 -15.08112      30.85763 
1 1 1 -4  34 14 o 94.748  31.933 1.8342  1.5180 2.6746  2.1310  0.9684  2.1629 113.128 37.836 91.665  36.705 21.46308       52.71479 
1 1 1 -4  34 15 o 324.447 14.987 22.433  2.0592 22.219  3.0499  22.612  2.7916 320.838 22.591 324.234 20.435 -3.396484      30.46216 
1 1 1 -4  34 16 o 201.462 20.133 8.7890  1.6947 10.552  2.7658  7.7293  2.1444 217.983 30.820 186.826 27.963 31.15643       41.61524 
1 1 1 -4  34 17 o 478.578 14.747 48.874  2.9888 50.157  4.8117  48.067  3.8138 481.945 23.575 473.405 19.023 8.540192       30.29320 
1 1 1 -4  34 18 o 379.887 15.376 30.839  2.4736 32.567  3.8922  29.668  3.2039 387.229 23.851 370.762 20.485 16.46664       31.44016 
1 1 1 -4  34 19 o 150.516 31.328 5.1686  1.9320 0.0000  0.0000  5.1686  1.9320 ?       ?      150.516 31.328 0.000000       31.32795 
1 1 1 -4  34 20 o 106.170 28.704 2.5716  1.3215 3.9708  2.0968  1.6495  1.7021 130.483 36.509 92.548  33.614 37.93465       49.62714 
1 1 1 -4  34 21 o 241.517 18.027 12.658  1.8305 9.8187  2.8687  14.607  2.3775 206.120 34.053 258.091 21.961 -51.97040      40.51993 
1 1 1 -4  34 22 o 142.483 24.161 4.5698  1.4058 2.9509  2.2762  5.5681  1.7874 114.735 39.100 156.184 28.055 -41.44881      48.12370 
1 1 1 -4  34 23 o 247.495 18.653 13.368  1.9407 13.782  3.0780  13.094  2.5003 245.619 30.230 242.263 24.717 3.355530       39.04811 
1 1 1 -4  34 24 o 199.527 18.980 8.7568  1.5844 9.0841  2.4004  8.5041  2.1092 198.300 29.481 193.305 26.459 4.995010       39.61335 
1 1 1 -4  34 25 o 174.004 21.381 6.7608  1.5424 10.021  2.3822  4.4080  2.0238 209.082 27.577 134.519 35.140 74.56285       44.66933 
1 1 1 -4  35 1  o 639.966 15.410 87.053  4.1763 84.422  5.1195  92.287  7.2208 629.560 19.202 656.632 25.967 -27.07159      32.29536 
1 1 1 -4  35 2  o 479.681 15.389 48.907  3.1262 46.145  3.7961  54.729  5.5107 465.436 19.259 505.043 25.852 -39.60684      32.23711 
1 1 1 -4  35 3  o 813.479 12.884 140.499 4.4387 139.729 6.3963  141.214 6.1646 810.057 18.645 814.539 17.871 -4.481018      25.82683 
1 1 1 -4  35 4  o 489.643 12.366 50.893  2.5641 49.387  3.7015  52.282  3.5554 481.654 18.147 495.739 16.935 -14.08505      24.82142 
1 1 1 -4  35 5  o 296.474 13.850 18.671  1.7390 18.796  2.5495  18.562  2.3780 296.225 20.448 294.573 19.166 1.651337       28.02637 
1 1 1 -4  35 6  o 612.335 12.323 79.596  3.1955 76.130  4.6722  82.642  4.3802 597.918 18.452 623.303 16.594 -25.38550      24.81573 
1 1 1 -4  35 7  o 576.799 12.476 70.633  3.0476 66.258  4.5880  74.087  4.0770 557.607 19.429 590.187 16.312 -32.58057      25.36880 
1 1 1 -4  35 8  o 177.787 28.416 6.9481  2.0674 3.4173  3.5360  8.7819  2.5483 134.404 48.505 199.729 31.144 -65.32550      57.64257 
1 1 1 -4  35 9  o 198.531 22.369 8.5244  1.8479 9.0345  2.5885  7.9942  2.6390 202.574 31.172 189.607 34.120 12.96631       46.21561 
1 1 1 -4  35 10 o 387.801 16.463 32.008  2.7037 26.511  3.5256  39.855  4.2128 351.172 23.848 431.059 23.162 -79.88629      33.24458 
1 1 1 -4  35 11 o 437.145 15.768 40.670  2.9191 36.384  3.6991  47.745  4.7524 412.079 21.269 471.515 23.878 -59.43573      31.97713 
1 1 1 -4  35 12 o 489.167 14.542 50.912  3.0126 49.434  3.7781  53.492  4.9920 481.293 18.536 499.449 23.601 -18.15640      30.01037 
1 1 1 -4  35 13 o 199.368 17.924 8.5528  1.4971 12.465  2.2862  5.6152  1.9810 239.996 22.766 158.412 30.637 81.58415       38.16995 
1 1 1 -4  35 14 o 87.510  29.400 1.5688  1.2867 2.9585  1.9579  0.5121  1.7072 116.005 36.049 78.484  32.172 37.52096       48.31757 
1 1 1 -4  35 15 o 491.951 15.067 51.623  3.1390 42.832  4.9945  57.363  4.0356 443.908 26.692 517.645 18.409 -73.73770      32.42434 
1 1 1 -4  35 16 o 244.690 17.087 12.871  1.7595 17.391  2.6909  9.4948  2.3256 283.142 22.630 207.418 27.125 75.72392       35.32565 
1 1 1 -4  35 17 o 378.676 14.583 30.616  2.3386 33.196  3.4872  28.507  3.1526 392.017 21.083 363.373 20.571 28.64395       29.45606 
1 1 1 -4  35 18 o 123.714 28.140 3.4762  1.4411 6.7720  2.5935  2.0041  1.7333 170.990 36.898 98.674  34.102 72.31574       50.24363 
1 1 1 -4  35 19 o 81.156  30.322 1.1519  1.4016 0.0000  0.0000  1.1519  1.4016 ?       ?      81.156  30.322 0.000000       30.32158 
1 1 1 -4  35 20 o 363.032 15.867 28.318  2.4395 32.078  3.8897  25.880  3.1320 382.061 24.165 344.313 21.589 37.74832       32.40384 
1 1 1 -4  35 21 o 206.547 18.607 9.3048  1.6101 8.6589  2.5602  9.7273  2.0708 193.681 32.356 209.347 23.779 -15.66666      40.15388 
1 1 1 -4  35 22 o 152.765 24.570 5.2620  1.5356 5.0787  2.5374  5.3680  1.9290 144.421 40.076 151.813 31.051 -7.392303      50.69741 
1 1 1 -4  35 23 o 319.066 16.878 22.116  2.2725 23.955  3.5045  20.781  2.9853 326.922 25.515 305.834 23.222 21.08826       34.50047 
1 1 1 -4  35 24 o 154.309 20.710 5.3184  1.3192 6.2331  1.8636  4.3997  1.8677 164.120 27.806 135.218 32.924 28.90181       43.09491 
1 1 1 -4  35 25 f 135.328 31.091 4.3670  1.7444 4.8695  2.1521  3.4046  2.9783 140.860 35.955 120.806 44.374 20.05392       57.11271 
1 1 1 -4  36 1  o 432.391 13.829 39.717  2.5323 36.763  3.6396  42.488  3.5256 415.172 20.700 446.632 18.640 -31.46051      27.85586 
1 1 1 -4  36 2  o 695.479 15.225 102.823 4.4843 93.974  5.4927  120.510 7.7653 664.037 19.532 750.605 24.429 -86.56842      31.27740 
1 1 1 -4  36 3  o 337.689 16.479 24.258  2.3567 28.300  3.0345  18.114  3.7411 363.844 19.768 288.518 31.110 75.32590       36.85940 
1 1 1 -4  36 4  o 351.279 15.632 26.239  2.3255 29.003  2.9107  21.361  3.8668 368.516 18.712 313.965 29.425 54.55139       34.87116 
1 1 1 -4  36 5  o 207.908 20.029 9.3004  1.7416 11.715  2.1645  4.8668  2.9332 233.183 22.186 147.850 43.762 85.33273       49.06450 
1 1 1 -4  36 6  o 211.155 23.178 9.6422  2.0385 8.5359  2.7004  11.108  3.1081 196.194 33.717 224.437 33.745 -28.24290      47.70267 
1 1 1 -4  36 7  o 248.914 21.063 13.318  2.1995 16.555  2.9712  9.3928  3.2716 276.815 25.636 204.581 39.189 72.23425       46.82887 
1 1 1 -4  36 8  o 533.609 17.587 60.646  3.9744 58.190  6.0696  62.490  5.2585 519.748 27.675 540.545 22.971 -20.79724      35.96671 
1 1 1 -4  36 9  o 197.330 18.472 8.3730  1.5257 10.974  2.6593  7.0970  1.8627 224.070 28.683 180.276 25.078 43.79451       38.10007 
1 1 1 -4  36 10 o 434.603 15.291 40.199  2.8144 38.312  5.0582  41.045  3.3871 420.713 28.559 438.682 18.232 -17.96872      33.88239 
1 1 1 -4  36 11 o 557.929 14.791 66.261  3.4948 62.014  6.0678  68.369  4.2750 536.582 26.703 566.062 17.833 -29.48041      32.10997 
1 1 1 -4  36 12 o 206.961 18.614 9.2257  1.6140 11.072  2.7558  8.2616  1.9912 224.210 29.759 194.452 24.741 29.75777       38.70016 
1 1 1 -4  36 13 o 235.165 17.624 11.883  1.7424 8.9032  2.8270  13.709  2.2126 198.863 34.838 251.965 20.925 -53.10202      40.63883 
1 1 1 -4  36 14 o 274.763 15.825 16.170  1.8336 17.410  2.6053  14.954  2.5811 283.702 21.853 262.375 23.478 21.32715       32.07431 
1 1 1 -4  36 15 f 222.598 19.383 10.713  1.8089 8.7689  2.7183  12.257  2.4235 196.999 33.800 236.836 24.518 -39.83777      41.75589 
1 1 1 -4  36 16 o 368.227 14.980 28.965  2.3360 29.616  3.3385  28.341  3.2697 370.069 21.394 361.982 21.425 8.087860       30.27732 
1 1 1 -4  36 17 o 150.818 24.167 5.0503  1.4914 3.5213  2.2556  6.2381  1.9880 124.612 38.688 166.413 29.278 -41.80124      48.51772 
1 1 1 -4  36 18 o 280.258 16.625 16.911  1.9643 20.254  3.2343  14.958  2.4726 303.600 25.389 261.680 22.532 41.92014       33.94494 
1 1 1 -4  36 19 o 283.484 21.246 17.547  2.5321 0.0000  0.0000  17.547  2.5321 ?       ?      283.484 21.246 0.000000       21.24608 
1 1 1 -4  36 20 o 162.846 23.512 5.9216  1.5745 7.3749  2.7676  5.2262  1.9145 175.640 38.289 150.045 31.148 25.59521       49.35828 
1 1 1 -4  36 21 o 202.214 24.618 9.1355  2.0647 0.0000  0.0000  9.1355  2.0647 ?       ?      202.214 24.618 0.000000       24.61792 
1 1 1 -4  36 22 o 191.342 19.731 8.0655  1.5759 7.4610  2.4571  8.4880  2.0540 177.561 33.913 193.850 25.650 -16.28891      42.52053 
1 1 1 -4  36 23 o 246.769 22.911 13.600  2.3670 12.007  2.9595  16.427  3.9431 226.523 31.720 261.640 36.588 -35.11679      48.42358 
1 1 1 -4  36 24 o 100.352 30.689 2.3597  1.4254 2.7365  1.5944  0.8597  3.1815 107.308 32.379 98.692  42.375 8.616501       53.32943 
1 1 1 -4  37 1  o 311.052 23.634 20.813  3.0900 11.176  4.9975  26.778  3.9317 219.740 54.072 352.380 26.541 -132.6406      60.23460 
1 1 1 -4  37 2  o 73.635  30.941 0.1826  1.6348 1.3142  3.6023  -0.1109 1.8346 115.334 46.943 74.663  32.121 40.67120       56.88074 
1 1 1 -4  37 3  o 203.462 21.056 8.9298  1.7880 9.0855  3.8248  8.8862  2.0226 199.468 46.188 202.392 24.070 -2.924683      52.08386 
1 1 1 -4  37 4  o 327.535 16.034 22.826  2.2240 24.974  4.2230  22.001  2.6162 339.397 29.680 320.642 19.357 18.75577       35.43442 
1 1 1 -4  37 5  o 257.250 18.390 14.174  1.9903 18.600  3.7590  12.450  2.3461 292.192 30.844 240.128 23.367 52.06413       38.69573 
1 1 1 -4  37 6  o 298.787 17.741 19.087  2.2347 19.584  4.6324  18.936  2.5512 297.842 37.562 297.142 20.398 0.7002563      42.74267 
1 1 1 -4  37 7  o 162.565 25.401 5.8002  1.6915 6.2807  4.1596  5.7050  1.8515 167.501 52.626 160.570 28.260 6.931396       59.73366 
1 1 1 -4  37 8  o 294.426 22.112 18.653  2.7369 18.711  4.5213  18.620  3.4385 290.603 37.621 292.746 28.080 -2.142792      46.94465 
1 1 1 -4  37 9  o 343.108 16.000 25.078  2.3248 29.023  4.5057  23.647  2.7139 365.406 29.365 332.159 19.378 33.24698       35.18215 
1 1 1 -4  37 10 o 403.585 19.060 34.813  3.2577 31.269  4.8728  37.677  4.3805 378.562 30.658 417.796 24.871 -39.23386      39.47740 
1 1 1 -4  37 11 o 327.636 14.897 22.873  2.0670 18.136  3.1500  26.455  2.7391 288.791 26.036 351.295 18.477 -62.50427      31.92593 
1 1 1 -4  37 12 o 216.171 16.005 10.027  1.4548 7.8050  2.1823  11.805  1.9518 187.718 28.333 233.858 19.897 -46.14034      34.62153 
1 1 1 -4  37 13 o 403.272 13.898 34.663  2.3734 33.858  3.4551  35.383  3.2660 396.478 20.649 406.285 18.982 -9.807922      28.04814 
1 1 1 -4  37 14 o 413.174 14.260 36.422  2.4951 36.149  3.5292  36.695  3.5280 410.030 20.325 413.168 20.163 -3.137451      28.62930 
1 1 1 -4  37 15 o 111.220 29.632 2.8067  1.4208 1.0580  2.1303  4.2077  1.9069 91.250  36.467 135.372 33.455 -44.12144      49.48838 
1 1 1 -4  37 16 o 235.577 17.658 11.974  1.7489 9.2158  2.5254  14.516  2.4242 202.644 30.363 258.123 22.399 -55.47923      37.73090 
1 1 1 -4  37 17 o 206.845 21.445 9.3536  1.8512 6.8532  2.4354  12.775  2.8490 172.312 34.576 239.402 28.672 -67.08971      44.91721 
1 1 1 -4  37 18 o 240.117 23.468 12.695  2.3559 15.344  3.2141  9.6198  3.4633 261.415 29.552 200.325 42.158 61.08958       51.48440 
1 1 1 -4  37 19 o 132.251 25.516 3.9751  1.3773 3.7905  2.2854  4.0804  1.7259 126.654 38.880 132.235 31.305 -5.581558      49.91673 
1 1 1 -4  37 20 o 238.684 18.420 12.415  1.8475 13.909  3.0146  11.516  2.3380 247.610 29.318 227.290 24.687 20.32034       38.32744 
1 1 1 -4  37 21 o 241.272 23.445 12.947  2.3653 13.596  3.1735  12.136  3.5478 242.744 31.621 224.761 38.667 17.98254       49.95070 
1 1 1 -4  37 22 o 253.069 22.241 14.246  2.3594 14.821  3.0986  13.451  3.6398 253.787 29.373 235.827 37.717 17.96062       47.80537 
1 1 1 -4  37 23 o 70.245  30.500 0.0228  1.6851 -0.1384 2.0093  0.4048  3.0936 74.560  32.817 94.224  41.114 -19.66405      52.60516 
1 1 1 -4  37 24 o 152.029 37.802 5.7629  2.4235 0.0000  0.0000  5.7629  2.4235 ?       ?      152.029 37.802 0.000000       37.80230 
1 1 1 -4  38 1  o 163.225 25.212 5.8445  1.6866 6.7262  2.3869  4.9653  2.3835 173.385 33.722 148.138 37.853 25.24763       50.69543 
1 1 1 -4  38 2  o 258.585 19.804 14.356  2.1522 15.956  2.7463  11.810  3.4646 271.834 24.106 230.318 36.757 41.51593       43.95655 
1 1 1 -4  38 3  o 160.363 25.985 5.6576  1.7043 7.4691  2.1411  2.5253  2.8155 184.230 28.353 117.765 43.162 66.46449       51.64105 
1 1 1 -4  38 4  o 66.532  29.720 -0.6785 1.7099 -0.3423 1.9273  -1.9211 3.7053 74.243  32.422 94.228  42.770 -19.98473      53.66991 
1 1 1 -4  38 5  o 368.151 14.115 28.825  2.2007 25.317  3.0975  32.402  3.1271 343.396 21.406 389.635 18.951 -46.23950      28.58991 
1 1 1 -4  38 6  o 241.331 21.097 12.551  2.1344 9.5776  4.1098  13.649  2.4977 203.420 48.408 251.178 23.763 -47.75800      53.92572 
1 1 1 -4  38 7  o 280.519 16.984 16.840  2.0081 19.400  3.1066  15.002  2.6318 299.493 24.715 263.320 23.860 36.17328       34.35284 
1 1 1 -4  38 8  o 274.957 22.674 16.328  2.6166 11.881  4.2195  19.106  3.3354 227.333 45.417 296.472 26.857 -69.13959      52.76415 
1 1 1 -4  38 9  o 222.660 18.366 10.667  1.7163 13.964  2.9481  8.9763  2.1109 252.593 28.033 202.642 25.138 49.95073       37.65327 
1 1 1 -4  38 10 o 332.553 14.765 23.573  2.0794 26.075  3.2297  21.801  2.7177 347.685 22.049 318.266 20.269 29.41864       29.94960 
1 1 1 -4  38 11 o 519.998 13.047 57.576  2.8731 50.131  4.3025  63.567  3.8597 483.072 21.031 545.411 16.710 -62.33960      26.86168 
1 1 1 -4  38 12 o 426.436 13.746 38.765  2.4824 38.466  3.7701  38.995  3.2984 422.883 21.052 426.605 18.257 -3.722351      27.86570 
1 1 1 -4  38 13 o 210.555 17.626 9.5638  1.5572 9.8651  2.2965  9.3074  2.1188 211.589 26.188 205.852 24.804 5.736633       36.07007 
1 1 1 -4  38 14 o 361.769 14.188 27.943  2.1737 26.115  3.1041  29.702  3.0449 347.364 21.203 371.156 19.439 -23.79187      28.76544 
1 1 1 -4  38 15 o 157.365 24.360 5.4968  1.5709 4.0282  2.2315  6.9398  2.2119 131.962 37.920 175.064 30.968 -43.10228      48.95837 
1 1 1 -4  38 16 o 309.728 16.643 20.646  2.1750 17.026  3.1978  23.762  2.9670 277.209 27.607 330.689 21.300 -53.47968      34.86859 
1 1 1 -4  38 17 o 121.565 28.026 3.3887  1.4133 4.2620  2.1970  2.7722  1.8459 134.449 37.284 110.702 35.091 23.74670       51.20003 
1 1 1 -4  38 18 o 144.746 31.773 4.8856  1.8942 6.1140  2.2978  2.2798  3.3465 161.121 34.700 115.276 45.822 45.84472       57.47865 
1 1 1 -4  38 19 o 142.842 32.239 4.7930  1.9039 6.8037  2.3753  1.1789  3.1844 169.963 34.184 103.567 43.330 66.39534       55.19141 
1 1 1 -4  38 20 o 100.585 34.550 2.2240  1.7778 1.5633  2.2554  3.3083  2.8891 96.322  37.829 121.277 43.832 -24.95473      57.89883 
1 1 1 -4  38 21 o 321.876 20.722 22.836  2.8097 22.319  3.7691  23.482  4.2153 312.596 28.795 318.295 31.693 -5.698761      42.82076 
1 1 1 -4  38 22 o 125.175 39.758 3.8880  2.3686 0.0000  0.0000  3.8880  2.3686 ?       ?      125.175 39.758 0.000000       39.75816 
1 1 1 -4  38 23 o 134.382 37.757 4.5165  2.2376 0.0000  0.0000  4.5165  2.2376 ?       ?      134.382 37.757 0.000000       37.75658 
1 1 1 -4  39 1  o 233.817 19.915 11.772  1.9532 9.6450  3.1763  13.066  2.4768 206.911 37.635 245.506 24.134 -38.59512      44.70895 
1 1 1 -4  39 2  o 119.968 31.344 3.2355  1.6100 10.225  2.9060  0.1400  1.9340 214.572 33.041 78.889  33.427 135.6833       47.00050 
1 1 1 -4  39 3  o 329.788 14.822 23.156  2.0701 24.343  3.1898  22.293  2.7210 336.203 22.534 322.250 20.038 13.95248       30.15437 
1 1 1 -4  39 4  o 302.604 20.169 19.675  2.5698 17.091  3.1098  25.239  4.5631 280.415 26.502 339.399 32.130 -58.98389      41.64914 
1 1 1 -4  39 5  o 435.857 16.974 40.531  3.1331 39.804  3.9047  41.845  5.2498 430.976 21.394 439.046 28.387 -8.070496      35.54589 
1 1 1 -4  39 6  o 274.862 21.629 16.299  2.4973 13.962  3.1392  20.328  4.1215 252.039 30.000 303.863 32.534 -51.82402      44.25440 
1 1 1 -4  39 7  o 249.903 21.642 13.499  2.2678 15.016  2.9834  11.423  3.4903 262.171 27.270 224.889 38.002 37.28186       46.77451 
1 1 1 -4  39 8  o 170.408 50.548 6.7805  3.9102 6.7805  3.9102  0.0000  0.0000 170.408 50.548 ?       ?      0.000000       50.54754 
1 1 1 -4  39 9  o 373.893 17.408 29.896  2.7563 28.301  3.4432  32.741  4.5990 361.904 22.579 387.235 28.239 -25.33038      36.15580 
1 1 1 -4  39 10 o 682.504 15.058 99.419  4.3522 96.365  5.4802  104.634 7.1617 670.236 19.308 695.776 24.305 -25.54022      31.04080 
1 1 1 -4  39 11 o 242.553 18.148 12.679  1.8506 14.366  2.9638  11.601  2.3692 255.400 27.854 230.221 24.686 25.17955       37.21896 
1 1 1 -4  39 12 o 153.278 22.143 5.1705  1.3957 7.2700  2.5214  4.2431  1.6758 178.361 34.630 136.666 29.795 41.69484       45.68356 
1 1 1 -4  39 13 o 61.322  28.482 -1.4513 1.7781 -1.4513 1.7781  0.0000  0.0000 61.322  28.482 ?       ?      0.000000       28.48185 
1 1 1 -4  39 14 o 328.011 18.318 23.200  2.5343 24.493  3.0074  20.029  4.7075 336.033 21.242 295.751 38.498 40.28220       43.96972 
1 1 1 -4  39 15 o 184.949 25.773 7.6122  1.9638 7.1110  2.2463  9.2375  4.0448 176.746 31.149 193.862 49.189 -17.11642      58.22167 
1 1 1 -4  39 16 f 180.269 28.399 7.3464  2.0963 8.1428  2.4732  5.3142  3.9504 188.422 32.148 149.355 51.492 39.06720       60.70319 
1 1 1 -4  39 17 o 314.126 19.156 21.469  2.5362 19.600  3.0961  25.281  4.4216 297.401 24.809 333.542 31.683 -36.14084      40.24074 
1 1 1 -4  39 18 o 116.402 33.595 3.1846  1.7481 0.4792  2.2243  7.5551  2.8271 84.879  35.900 176.861 38.812 -91.98145      52.86934 
1 1 1 -4  39 19 o 117.485 27.720 3.2056  1.3569 2.9822  2.3475  3.3176  1.6629 114.589 39.682 118.527 32.263 -3.938026      51.14289 
1 1 1 -4  39 20 o 55.409  25.956 -1.3448 1.5287 0.0000  0.0000  -1.3448 1.5287 ?       ?      55.409  25.956 0.000000       25.95565 
1 1 1 -4  39 21 o 203.102 35.374 9.9687  2.9320 0.0000  0.0000  9.9687  2.9320 ?       ?      203.102 35.374 0.000000       35.37430 
1 1 1 -4  39 22 f 222.700 33.615 11.874  3.0716 0.0000  0.0000  11.874  3.0716 ?       ?      222.700 33.615 0.000000       33.61473 
1 1 1 -4  40 1  o 647.292 13.303 89.184  3.6467 83.138  5.2435  94.847  5.0751 622.968 19.875 666.089 17.991 -43.12073      26.80892 
1 1 1 -4  40 2  o 236.102 18.205 11.988  1.8062 11.117  2.6145  12.783  2.4982 224.916 28.059 242.336 24.688 -17.42043      37.37341 
1 1 1 -4  40 3  o 466.435 16.104 46.425  3.1811 46.229  5.8465  46.507  3.7915 460.126 30.171 466.092 19.209 -5.965698      35.76645 
1 1 1 -4  40 4  o 158.850 31.967 5.6908  2.0760 4.4162  3.6880  6.2821  2.5118 143.796 49.742 165.858 36.729 -22.06142      61.83275 
1 1 1 -4  40 5  o 316.573 18.257 21.512  2.4373 21.783  4.6591  21.410  2.8598 312.714 35.828 314.981 21.569 -2.267151      41.81951 
1 1 1 -4  40 6  o 170.137 28.193 6.4412  1.9602 7.4634  3.8773  6.0902  2.2720 177.827 49.608 163.782 33.874 14.04535       60.06991 
1 1 1 -4  40 7  o 176.968 22.461 6.8467  1.6454 3.2994  2.7308  8.8685  2.0616 124.864 42.825 201.161 24.721 -76.29787      49.44778 
1 1 1 -4  40 8  o 234.390 20.056 11.883  1.9716 18.618  4.0442  9.7827  2.2581 289.014 33.674 210.988 25.811 78.02548       42.42764 
1 1 1 -4  40 9  o 387.651 17.106 32.171  2.8083 29.829  3.5918  35.854  4.5043 370.983 22.975 405.411 26.379 -34.42767      34.98148 
1 1 1 -4  40 10 o 168.693 29.434 6.3960  2.0263 6.6196  2.5945  6.0463  3.2444 169.209 37.218 160.011 45.642 9.197220       58.89246 
1 1 1 -4  40 11 o 102.023 34.779 2.1806  1.8009 2.3546  2.3505  1.9331  2.8023 109.300 39.531 109.047 42.353 0.2529068      57.93455 
1 1 1 -4  40 12 o 103.383 34.246 2.3025  1.7470 2.0797  2.5156  2.5101  2.4279 107.388 40.521 111.735 40.209 -4.346634      57.08542 
1 1 1 -4  40 13 o 281.111 18.024 17.057  2.1344 16.945  2.7271  17.234  3.4290 278.406 23.346 278.216 29.556 0.1908569      37.66388 
1 1 1 -4  40 14 o 353.497 17.664 26.889  2.6444 22.611  3.2089  35.943  4.6680 321.295 23.752 403.322 27.494 -82.02655      36.33251 
1 1 1 -4  40 15 o 100.396 29.483 2.2914  1.3359 3.0476  1.9266  1.5911  1.8541 115.201 35.754 93.077  34.855 22.12353       49.93206 
1 1 1 -4  40 16 o 142.376 28.525 4.6633  1.6600 6.2268  2.4610  3.3583  2.2484 161.572 36.791 120.170 38.797 41.40259       53.46714 
1 1 1 -4  40 17 o 158.975 27.791 5.7872  1.8029 0.5660  5.4228  6.4360  1.9117 120.679 53.474 167.809 27.878 -47.12962      60.30505 
1 1 1 -4  40 18 o 92.610  33.116 1.7774  1.6444 6.7439  5.2784  1.2436  1.7305 160.051 59.031 85.963  33.311 74.08841       67.78148 
1 1 1 -4  40 19 o 87.651  33.584 1.3863  1.7447 0.0000  0.0000  1.3863  1.7447 ?       ?      87.651  33.584 0.000000       33.58389 
1 1 1 -4  40 20 o 125.323 35.994 3.8592  2.0111 0.0000  0.0000  3.8592  2.0111 ?       ?      125.323 35.994 0.000000       35.99435 
1 1 1 -4  40 21 o 288.480 17.579 18.246  2.1373 19.398  3.5045  17.564  2.6970 289.258 28.999 279.672 22.975 9.586212       36.99686 
1 1 1 -4  40 22 o 180.437 22.309 7.3457  1.6684 9.1666  2.8941  6.4395  2.0418 192.655 36.814 164.598 30.411 28.05646       47.75086 
1 1 1 -4  41 1  o 298.249 16.397 19.067  2.0631 20.536  2.9936  17.738  2.8471 307.751 23.139 285.724 23.745 22.02689       33.15476 
1 1 1 -4  41 2  o 406.958 14.359 35.319  2.4747 33.315  3.6294  37.061  3.3830 392.815 21.905 415.701 19.217 -22.88556      29.13935 
1 1 1 -4  41 3  o 391.344 14.726 32.675  2.4406 29.674  3.5826  35.274  3.3339 370.278 22.960 405.482 19.415 -35.20432      30.06817 
1 1 1 -4  41 4  o 155.827 25.048 5.3791  1.5970 6.7170  2.4073  4.3275  2.1342 171.804 34.288 137.308 36.191 34.49628       49.85407 
1 1 1 -4  41 5  o 345.832 17.771 25.682  2.5939 27.907  3.4713  22.870  3.9031 358.900 22.959 322.591 28.875 36.30905       36.89071 
1 1 1 -4  41 6  o 97.103  34.761 1.8272  1.8122 -0.8549 3.6106  2.7305  2.0953 97.619  43.426 112.722 37.513 -15.10285      57.38542 
1 1 1 -4  41 7  o 350.974 16.202 26.352  2.4081 33.332  4.8577  24.077  2.7728 389.076 29.706 334.125 19.683 54.95023       35.63535 
1 1 1 -4  41 8  o 161.142 28.532 5.8330  1.8758 0.0000  0.0000  5.8330  1.8758 ?       ?      161.142 28.532 0.000000       28.53210 
1 1 1 -4  41 9  o 205.481 21.631 9.2128  1.8540 3.3915  3.9068  10.905  2.1063 133.008 50.423 223.460 22.567 -90.45236      55.24283 
1 1 1 -4  41 10 o 89.203  32.044 1.5330  1.5413 1.8093  3.5574  1.4692  1.7101 115.652 46.803 90.352  33.545 25.30007       57.58320 
1 1 1 -4  41 11 f 185.423 24.716 7.6074  1.8925 4.7128  4.1212  8.3809  2.1304 145.958 52.401 194.136 26.613 -48.17743      58.77218 
1 1 1 -4  41 12 o 307.907 17.603 20.448  2.2859 24.737  5.0957  19.368  2.5576 328.955 37.234 298.720 20.339 30.23438       42.42675 
1 1 1 -4  41 13 o 98.647  32.970 2.1014  1.6181 3.9745  4.2150  1.7776  1.7524 138.165 52.376 94.808  34.156 43.35759       62.52902 
1 1 1 -4  41 14 o 132.756 31.567 4.1041  1.7488 5.8232  4.0751  3.7161  1.9361 154.018 52.318 125.774 35.044 28.24355       62.97037 
1 1 1 -4  41 15 o 120.028 33.176 3.3882  1.7426 -2.4087 4.7169  4.3044  1.8753 100.135 46.468 135.086 33.051 -34.95113      57.02281 
1 1 1 -4  41 16 o 477.288 17.759 49.369  3.5896 44.076  7.9778  50.712  4.0194 423.915 45.133 482.485 19.671 -58.57028      49.23342 
1 1 1 -4  41 17 o 320.883 26.569 23.134  3.5780 22.275  6.8372  23.459  4.1989 286.015 58.422 319.549 31.435 -33.53345      66.34222 
1 1 1 -4  41 18 o 141.522 40.758 4.9999  2.5754 13.344  6.0062  3.1201  2.8508 212.501 62.545 117.851 43.395 94.65032       76.12518 
1 1 1 -4  41 19 o 61.659  26.152 0.1711  1.1857 -3.0124 2.2365  1.4156  1.3983 60.247  29.088 83.572  30.450 -23.32523      42.11013 
1 1 1 -4  41 20 o 129.346 26.485 3.9175  1.4019 6.8543  2.4596  2.5042  1.7062 166.556 35.927 102.984 33.832 63.57195       49.34894 
1 1 1 -4  41 21 o 140.572 25.853 4.5984  1.4823 3.4181  2.5288  5.2163  1.8297 117.887 41.166 147.675 30.273 -29.78790      51.09877 
1 1 1 -4  42 1  o 118.766 31.379 3.2151  1.6019 4.7152  2.4256  2.0547  2.1333 142.536 39.036 103.499 37.626 39.03718       54.21737 
1 1 1 -4  42 2  o 69.765  30.113 -0.0833 1.6233 3.3611  2.5970  -2.2920 2.0796 124.196 41.768 62.541  29.597 61.65529       51.19112 
1 1 1 -4  42 3  o 172.704 24.430 6.5855  1.7369 5.8265  2.7004  7.1210  2.2684 157.842 40.268 177.571 31.310 -19.72836      51.00771 
1 1 1 -4  42 4  f 179.600 23.381 7.0917  1.7362 12.727  2.8835  3.8869  2.1746 239.496 29.023 130.062 37.450 109.4340       47.37962 
1 1 1 -4  42 5  o 162.664 26.409 5.9000  1.7568 10.381  2.7914  2.9608  2.2607 214.973 31.605 116.706 38.971 98.26643       50.17582 
1 1 1 -4  42 6  o 555.304 15.932 66.006  3.7466 64.403  4.7156  68.749  6.1700 546.654 20.369 561.752 25.935 -15.09814      32.97821 
1 1 1 -4  42 7  o 145.687 25.925 4.7539  1.5408 3.3844  2.7812  5.3604  1.8509 125.096 43.200 153.852 29.480 -28.75542      52.30064 
1 1 1 -4  42 8  o 109.933 30.207 2.7514  1.4496 2.1324  2.5420  3.0497  1.7647 108.156 40.751 115.696 33.860 -7.539955      52.98238 
1 1 1 -4  42 9  o 248.829 17.066 13.351  1.7875 11.960  2.8674  14.235  2.2860 231.105 30.006 255.716 21.303 -24.61145      36.79929 
1 1 1 -4  42 10 o 303.098 15.392 19.731  1.9692 17.960  3.0950  20.936  2.5526 285.462 25.883 310.937 19.484 -25.47470      32.39642 
1 1 1 -4  42 11 o 130.046 26.791 3.8417  1.4264 2.6379  2.4408  4.4659  1.7578 112.685 40.341 139.316 30.627 -26.63137      50.65010 
1 1 1 -4  42 12 o 153.677 23.794 5.2726  1.4985 8.4520  2.7415  3.9179  1.7895 190.583 35.266 129.655 32.619 60.92897       48.03838 
1 1 1 -4  42 13 o 41.114  19.532 -1.1077 0.9229 -5.2936 2.0487  -0.0420 1.0337 48.400  24.186 55.791  24.056 -7.390663      34.11255 
1 1 1 -4  42 14 o 131.214 25.223 3.9235  1.3507 4.1085  2.0346  3.7778  1.8060 131.138 35.685 126.351 33.287 4.786430       48.80009 
1 1 1 -4  42 15 o 194.893 22.542 8.4524  1.8262 7.7874  2.3774  9.4097  2.8523 182.713 31.885 199.458 35.046 -16.74525      47.38001 
1 1 1 -4  42 16 o 130.348 28.206 3.9544  1.5118 4.1109  1.9631  3.7262  2.3698 130.738 34.830 124.407 39.795 6.331703       52.88457 
1 1 1 -4  42 17 o 129.587 31.313 3.9964  1.6993 4.2935  2.1637  3.5182  2.7450 132.376 37.105 121.848 42.870 10.52773       56.69728 
1 1 1 -4  42 18 o 79.895  35.038 0.0000  2.2721 0.0000  0.0000  0.0000  2.2721 ?       ?      79.895  35.038 0.000000       35.03751 
1 1 1 -4  42 19 o 155.740 27.064 5.6603  1.7202 2.9522  2.5211  8.0192  2.3530 112.186 40.884 183.311 31.442 -71.12567      51.57665 
1 1 1 -4  42 20 o 164.483 24.456 6.2124  1.6517 5.4613  2.8231  6.6033  2.0366 143.757 43.020 166.617 29.965 -22.86043      52.42743 
1 1 1 -4  43 1  o 215.332 20.013 10.077  1.8041 11.685  2.6251  8.6372  2.4837 229.536 27.556 195.675 31.006 33.86124       41.48113 
1 1 1 -4  43 2  f 206.209 21.958 9.2969  1.8881 10.552  2.9823  8.4573  2.4391 215.551 33.781 193.667 30.769 21.88345       45.69286 
1 1 1 -4  43 3  o 157.094 26.752 5.5308  1.7160 6.1489  2.7483  5.1359  2.1968 161.518 40.308 148.769 35.384 12.74846       53.63597 
1 1 1 -4  43 4  o 76.916  31.345 0.5891  1.6085 3.9296  2.5645  -1.5774 2.0653 130.966 41.345 66.499  30.820 64.46733       51.56806 
1 1 1 -4  43 5  o 311.792 16.109 20.889  2.1198 19.703  3.3602  21.673  2.7321 298.950 26.827 316.194 20.514 -17.24368      33.77156 
1 1 1 -4  43 6  o 124.529 30.530 3.5597  1.5976 3.7315  2.6663  3.4634  1.9955 128.497 42.296 122.708 36.033 5.789055       55.56379 
1 1 1 -4  43 7  o 110.052 30.151 2.7666  1.4468 0.7927  2.5322  3.7232  1.7628 93.745  38.880 126.948 32.616 -33.20335      50.74878 
1 1 1 -4  43 8  o 219.820 18.250 10.474  1.6835 11.074  2.7494  10.114  2.1294 221.898 30.029 214.236 23.877 7.661423       38.36450 
1 1 1 -4  43 9  o 201.659 22.306 8.9399  1.8731 8.8328  2.5680  9.0617  2.7380 196.812 31.902 198.587 33.766 -1.775833      46.45304 
1 1 1 -4  43 10 o 233.781 17.070 11.826  1.6783 11.721  2.6336  11.898  2.1779 228.812 27.746 232.737 22.372 -3.924805      35.64188 
1 1 1 -4  43 11 o 57.565  25.140 -0.1634 1.1590 -0.0613 1.9981  -0.2152 1.4229 76.455  33.204 63.333  27.752 13.12188       43.27474 
1 1 1 -4  43 12 o 109.912 31.552 2.8094  1.5457 3.3037  2.3099  2.4086  2.0799 119.376 39.371 105.752 37.305 13.62418       54.23809 
1 1 1 -4  43 13 o 57.035  25.712 -0.5515 1.3125 -2.5485 1.8981  1.2784  1.8169 56.409  27.123 87.624  34.083 -31.21514      43.55803 
1 1 1 -4  43 14 o 85.761  29.857 1.5484  1.3298 1.9611  1.9313  1.1765  1.8336 97.743  35.759 86.345  34.045 11.39778       49.37413 
1 1 1 -4  43 15 o 260.031 16.576 14.699  1.8159 14.309  2.6331  15.052  2.5075 252.477 24.954 260.087 23.003 -7.611038      33.93849 
1 1 1 -4  43 16 o 183.650 21.938 7.5401  1.6724 8.8262  2.5686  6.5936  2.2035 193.268 32.539 166.583 32.402 26.68506       45.91999 
1 1 1 -4  43 17 o 270.028 23.186 16.373  2.6257 15.981  3.3121  17.037  4.3077 261.498 30.480 261.623 40.163 -0.1255493     50.41921 
1 1 1 -4  43 18 o 56.055  26.276 -1.3209 1.5711 -5.4042 2.2819  2.3593  2.1664 51.616  25.752 102.783 37.832 -51.16620      45.76442 
1 1 1 -4  43 19 o 129.869 28.710 4.0307  1.5370 5.7725  2.6355  3.1330  1.8921 148.804 40.664 112.744 35.505 36.05941       53.98317 
1 1 1 -4  44 1  f 270.135 24.858 16.055  2.8119 16.055  2.8119  0.0000  0.0000 270.135 24.858 ?       ?      0.000000       24.85835 
1 1 1 -4  44 2  o 219.716 24.860 10.662  2.2724 8.4620  2.8572  14.450  3.7488 190.836 36.686 250.913 36.338 -60.07637      51.63660 
1 1 1 -4  44 3  f 201.460 26.041 9.0213  2.1697 11.680  2.8866  5.5688  3.2897 227.692 30.720 152.385 46.625 75.30722       55.83611 
1 1 1 -4  44 4  o 293.412 17.208 18.569  2.1288 17.222  3.3909  19.445  2.7350 277.776 29.266 298.664 21.774 -20.88773      36.47691 
1 1 1 -4  44 5  o 307.338 22.579 20.640  2.9182 21.708  4.9329  20.064  3.6194 306.345 38.900 300.113 28.833 6.231720       48.42045 
1 1 1 -4  44 6  o 112.855 33.884 2.9142  1.7492 0.0527  2.4617  5.8323  2.4859 85.739  37.046 157.081 37.822 -71.34224      52.94234 
1 1 1 -4  44 7  o 81.880  31.992 1.0067  1.6063 1.9287  2.5701  0.4156  2.0578 105.222 40.645 82.372  34.668 22.85030       53.42209 
1 1 1 -4  44 8  o 159.702 27.258 5.7745  1.7774 6.5638  2.5658  5.0465  2.4644 166.463 37.319 145.295 39.163 21.16763       54.09656 
1 1 1 -4  44 9  o 252.155 19.493 13.865  2.0654 16.314  2.8524  11.166  2.9945 271.145 25.126 220.130 33.151 51.01463       41.59683 
1 1 1 -4  44 10 o 240.940 19.830 12.703  2.0054 15.776  2.7769  9.3528  2.8992 266.310 24.912 199.328 35.654 66.98244       43.49539 
1 1 1 -4  44 11 o 124.515 31.079 3.6470  1.6336 2.6069  2.2427  4.8228  2.3845 109.139 38.711 140.763 38.767 -31.62366      54.78550 
1 1 1 -4  44 12 o 163.460 24.602 6.0397  1.6502 5.8917  2.3504  6.1835  2.3175 156.186 36.236 160.667 35.047 -4.481033      50.41162 
1 1 1 -4  44 13 o 133.706 26.215 4.1170  1.4313 2.2822  2.6743  4.8537  1.6945 107.750 41.506 144.436 28.714 -36.68664      50.47020 
1 1 1 -4  44 14 o 92.396  29.883 1.9289  1.3336 -0.3022 2.3036  3.0536  1.6355 78.552  34.828 113.318 32.434 -34.76675      47.59116 
1 1 1 -4  44 15 o 136.725 27.334 4.3567  1.5273 4.6257  2.3075  4.1470  2.0375 136.329 38.355 130.054 35.844 6.274429       52.49656 
1 1 1 -4  44 16 o 177.238 22.467 7.0920  1.6485 2.5700  2.3472  11.493  2.3157 106.936 39.376 224.850 24.728 -117.9141      46.49706 
1 1 1 -4  44 17 o 211.339 24.755 10.216  2.1736 10.633  2.5303  9.0408  4.2455 212.992 28.790 176.320 52.754 36.67169       60.09898 
1 1 1 -4  44 18 o 76.395  33.339 0.1249  2.0348 0.1249  2.0348  0.0000  0.0000 76.395  33.339 ?       ?      0.000000       33.33856 
1 1 1 -4  44 19 o 388.610 16.704 33.031  2.7490 33.332  4.3848  32.836  3.5285 379.470 27.471 382.618 21.867 -3.147095      35.11183 
1 1 1 -4  45 1  o 77.329  34.778 -0.8227 2.3847 -0.8227 2.3847  0.0000  0.0000 77.329  34.778 ?       ?      0.000000       34.77827 
1 1 1 -4  45 2  o 336.572 19.188 24.579  2.7236 23.500  3.4215  26.446  4.5000 326.380 24.943 342.463 31.377 -16.08237      40.08340 
1 1 1 -4  45 3  o 51.953  25.182 -2.7070 1.7177 -5.1653 2.5733  -0.7314 2.3069 58.735  28.953 76.611  34.350 -17.87626      44.92447 
1 1 1 -4  45 4  o 141.066 32.971 4.6500  1.9343 6.8486  2.7775  2.5794  2.6955 169.109 39.498 113.326 42.107 55.78322       57.73264 
1 1 1 -4  45 5  o 151.231 29.582 5.2548  1.8267 5.8139  2.5971  4.7074  2.5699 155.541 39.386 140.031 40.826 15.50998       56.72758 
1 1 1 -4  45 6  o 232.280 21.690 11.862  2.1089 14.041  2.9957  9.7219  2.9693 249.508 28.886 203.782 35.708 45.72578       45.92846 
1 1 1 -4  45 7  o 184.003 23.515 7.5422  1.7904 5.8813  2.6322  8.9723  2.4426 155.669 39.779 198.063 30.065 -42.39339      49.86288 
1 1 1 -4  45 8  o 104.658 31.899 2.5242  1.5418 -0.8505 3.5123  3.3297  1.7160 93.248  42.047 118.882 32.945 -25.63490      53.41627 
1 1 1 -4  45 9  o 232.691 24.029 12.076  2.3338 10.625  3.8129  12.944  2.9512 205.826 44.998 237.798 29.971 -31.97203      54.06529 
1 1 1 -4  45 10 o 217.876 19.942 10.450  1.8196 10.993  3.3503  10.222  2.1671 213.276 38.510 213.491 24.408 -0.2150269     45.59391 
1 1 1 -4  45 11 o 85.909  30.820 1.5096  1.4254 2.3372  2.9008  1.2462  1.6366 110.053 42.993 84.450  32.487 25.60326       53.88737 
1 1 1 -4  45 12 o 100.127 30.373 2.3303  1.4002 3.2656  2.7580  2.0056  1.6252 118.986 42.852 95.547  33.022 23.43879       54.09903 
1 1 1 -4  45 13 o 118.582 26.744 3.2806  1.3111 -2.5181 2.7660  4.9609  1.4889 72.048  34.107 147.355 24.736 -75.30684      42.13313 
1 1 1 -4  45 14 o 100.411 31.495 2.3655  1.4905 -0.7475 4.3504  2.7796  1.5866 100.666 45.943 107.867 32.244 -7.200111      56.12908 
1 1 1 -4  45 15 o 185.624 19.906 7.6827  1.5404 5.3832  2.3191  9.4981  2.0605 146.154 37.334 204.218 24.303 -58.06378      44.54694 
1 1 1 -4  45 16 o 98.464  29.120 2.3123  1.2992 2.2665  1.9259  2.3506  1.7600 99.681  35.818 100.109 34.377 -0.4279175     49.64645 
1 1 1 -4  45 17 o 263.450 32.383 16.702  3.5368 14.181  6.3115  17.856  4.2703 202.982 64.945 265.569 39.144 -62.58717      75.82947 
1 1 1 -4  45 18 o 232.124 19.691 12.020  1.9174 10.034  2.7677  13.852  2.6588 202.735 33.399 244.825 26.044 -42.09019      42.35300 
1 1 1 -4  46 1  o 83.769  36.620 -0.0746 2.4646 -4.6721 4.4095  2.0142  2.9722 87.288  41.804 108.768 43.200 -21.47983      60.11494 
1 1 1 -4  46 2  o 79.801  32.715 0.6849  1.7655 1.1340  4.6950  0.6110  1.9053 118.031 51.079 81.241  33.712 36.79049       61.20147 
1 1 1 -4  46 3  o 89.036  33.408 1.4728  1.7050 3.2031  3.9888  1.0860  1.8860 127.267 50.204 86.354  34.376 40.91330       60.84515 
1 1 1 -4  46 4  o 69.882  30.623 -0.1887 1.7328 2.2410  3.6681  -0.8866 1.9660 116.673 47.416 68.531  31.125 48.14281       56.71856 
1 1 1 -4  46 5  o 156.974 28.717 5.6806  1.8387 0.9855  4.1354  6.8374  2.0527 111.399 48.074 172.367 29.161 -60.96806      56.22738 
1 1 1 -4  46 6  o 166.051 26.887 6.2918  1.8261 13.319  4.3201  4.7631  2.0149 230.196 45.925 141.227 34.081 88.96898       57.18883 
1 1 1 -4  46 7  o 112.502 31.034 2.9810  1.5266 5.6228  3.5238  2.3705  1.6939 148.293 48.615 102.169 33.716 46.12350       59.16202 
1 1 1 -4  46 8  o 205.387 21.506 9.3635  1.8429 4.5278  3.8776  10.774  2.0945 136.717 50.562 219.836 22.831 -83.11899      55.47722 
1 1 1 -4  46 9  o 104.534 34.766 2.5087  1.7997 -0.6702 3.2706  3.8893  2.1554 90.060  40.595 126.350 37.540 -36.29059      55.29208 
1 1 1 -4  46 10 o 175.888 22.177 6.9257  1.6152 10.896  2.6214  4.4964  2.0507 217.331 29.223 135.954 35.304 81.37712       45.82930 
1 1 1 -4  46 11 o 104.233 29.776 2.5585  1.3798 2.1740  2.2551  2.7886  1.7444 102.432 38.424 108.548 34.076 -6.115685      51.35724 
1 1 1 -4  46 12 o 155.070 22.153 5.4224  1.4134 4.8129  2.3419  5.7716  1.7727 138.661 38.509 157.608 27.563 -18.94739      47.35675 
1 1 1 -4  46 13 o 97.847  28.413 2.2578  1.2470 -3.4515 2.1833  5.0219  1.5191 57.072  27.826 147.492 25.228 -90.42079      37.55957 
1 1 1 -4  46 14 o 162.968 21.270 5.9949  1.4329 3.2916  2.2568  7.8210  1.8548 115.290 38.935 184.839 24.283 -69.54962      45.88667 
1 1 1 -4  46 15 o 83.134  30.028 1.4692  1.3556 0.6527  2.1013  2.0513  1.7742 82.126  34.824 95.432  34.370 -13.30618      48.92794 
1 1 1 -4  46 16 o 165.929 23.667 6.3320  1.6159 3.8553  2.3527  8.5438  2.2233 122.135 39.708 190.028 28.506 -67.89289      48.88101 
1 1 1 -4  46 17 o 125.850 36.222 4.0383  2.0347 0.0001  5.4667  4.6877  2.1922 109.699 50.594 134.987 37.169 -25.28785      62.77971 
1 1 1 -4  47 1  o 88.199  33.177 1.4712  1.6835 -2.1454 2.8606  3.3876  2.0823 75.849  35.523 118.970 37.211 -43.12144      51.44452 
1 1 1 -4  47 2  o 117.126 35.652 3.2754  1.9268 1.2711  2.9579  4.7529  2.5396 100.653 41.906 138.423 40.650 -37.76987      58.38243 
1 1 1 -4  47 3  o 147.460 32.026 5.1569  1.9427 6.7954  2.6752  3.3286  2.8258 166.243 38.720 120.303 43.370 45.94022       58.13889 
1 1 1 -4  47 4  o 107.767 36.980 2.6478  2.0363 3.9358  2.6218  0.6895  3.2329 127.092 41.947 98.885  42.590 28.20707       59.77857 
1 1 1 -4  47 5  o 300.860 19.875 19.895  2.5180 18.904  3.1673  21.596  4.1510 289.448 26.120 304.384 32.716 -14.93600      41.86404 
1 1 1 -4  47 6  o 258.690 17.523 14.611  1.9084 15.215  3.1267  14.253  2.4092 257.358 29.205 252.912 22.736 4.446014       37.01225 
1 1 1 -4  47 7  o 77.916  30.364 0.9882  1.4441 2.8487  2.6642  0.2141  1.7184 113.402 41.916 73.063  31.250 40.33871       52.28278 
1 1 1 -4  47 8  o 157.560 22.998 5.6058  1.4893 9.5721  2.5491  3.5502  1.8351 202.435 30.697 121.176 34.244 81.25895       45.98865 
1 1 1 -4  47 9  o 79.948  32.643 0.8036  1.7488 1.2224  3.1390  0.6152  2.1059 101.189 42.715 83.230  35.052 17.95908       55.25585 
1 1 1 -4  47 10 o 75.950  29.899 0.9062  1.4120 4.0028  2.6554  -0.3147 1.6673 126.594 42.235 66.594  29.573 60.00046       51.55938 
1 1 1 -4  47 11 o 92.475  30.447 1.9591  1.3816 4.2908  2.1946  0.4283  1.7782 130.745 37.615 75.758  32.074 54.98759       49.43323 
1 1 1 -4  47 12 o 120.214 27.392 3.4301  1.3634 1.9045  2.3349  4.2195  1.6795 98.348  38.531 132.104 30.619 -33.75642      49.21482 
1 1 1 -4  47 13 o 133.453 26.479 4.2005  1.4437 7.2089  2.2582  2.1210  1.8774 172.226 32.143 97.125  35.299 75.10121       47.74088 
1 1 1 -4  47 14 o 170.539 21.113 6.5832  1.4922 7.3585  2.3860  6.0852  1.9124 172.391 33.891 159.253 29.440 13.13745       44.89214 
1 1 1 -4  47 15 f 70.773  27.661 0.8410  1.2012 1.1098  1.9709  0.6821  1.5151 84.810  34.644 73.526  30.244 11.28394       45.98808 
1 1 1 -4  47 16 o 155.040 25.096 5.6071  1.5915 3.6014  2.3568  7.2882  2.1577 118.219 39.789 173.705 30.441 -55.48650      50.09793 
1 1 1 -4  48 1  o 275.367 19.658 16.696  2.2774 14.512  3.9974  17.746  2.7710 242.546 40.334 281.696 23.441 -39.14973      46.65082 
1 1 1 -4  48 2  o 170.232 26.981 6.6697  1.8803 9.0744  3.7521  5.8632  2.1728 185.380 47.560 155.988 33.863 29.39159       58.38317 
1 1 1 -4  48 3  o 138.263 31.789 4.5716  1.8224 4.1374  3.7304  4.7077  2.0886 131.115 49.373 138.766 35.421 -7.651871      60.76508 
1 1 1 -4  48 4  o 122.086 31.702 3.5733  1.6536 6.2008  2.7260  2.0434  2.0800 156.613 40.721 99.259  36.967 57.35449       54.99782 
1 1 1 -4  48 5  o 106.353 37.353 2.5773  2.0834 3.8297  2.5697  0.1745  3.5593 124.677 41.546 98.103  43.404 26.57411       60.08306 
1 1 1 -4  48 6  o 164.782 32.533 6.4938  2.1897 4.7371  2.8558  8.9999  3.4110 136.144 43.699 186.770 43.871 -50.62578      61.92159 
1 1 1 -4  48 7  o 119.494 37.027 3.5001  2.0672 4.6701  2.7047  1.8566  3.2057 135.221 42.428 106.593 43.936 28.62777       61.07783 
1 1 1 -4  48 8  f 134.782 34.134 4.4539  1.9504 4.5087  2.6422  4.3882  2.8911 132.792 41.971 130.992 44.069 1.799774       60.85775 
1 1 1 -4  48 9  o 155.475 49.855 6.7350  3.7177 6.7350  3.7177  0.0000  0.0000 155.475 49.855 ?       ?      0.000000       49.85515 
1 1 1 -4  48 10 o 270.211 20.977 16.318  2.3816 14.557  3.1106  18.813  3.7023 248.346 30.198 281.280 31.629 -32.93347      43.72986 
1 1 1 -4  48 11 o 109.314 35.380 2.9447  1.8690 1.8873  2.3833  4.6335  3.0120 97.949  38.753 131.451 44.977 -33.50193      59.36985 
1 1 1 -4  48 12 o 176.909 37.226 7.9744  2.7006 7.9744  2.7006  0.0000  0.0000 176.909 37.226 ?       ?      0.000000       37.22557 
1 1 1 -4  48 13 o 227.492 23.319 11.833  2.2148 10.630  2.8562  13.649  3.5076 207.663 33.628 232.644 36.828 -24.98143      49.87170 
1 1 1 -4  48 14 o 230.968 24.827 12.325  2.3903 11.483  3.1262  13.509  3.7088 213.845 35.785 228.174 39.830 -14.32889      53.54462 
1 1 1 -4  49 1  o 66.606  29.586 -0.3041 1.6698 -3.9095 2.8641  1.5525  2.0553 66.922  32.455 92.324  36.156 -25.40218      48.58570 
1 1 1 -4  49 2  o 74.064  30.723 0.5618  1.5817 1.9881  2.7554  -0.1392 1.9316 103.600 41.448 72.949  32.140 30.65121       52.44921 
1 1 1 -4  49 3  o 217.586 20.781 10.552  1.8916 9.7973  3.9811  10.772  2.1498 189.291 49.207 218.303 23.631 -29.01180      54.58732 
1 1 1 -4  49 4  o 64.500  29.686 -1.0317 1.8683 0.0000  0.0000  -1.0317 1.8683 ?       ?      64.500  29.686 0.000000       29.68579 
1 1 1 -4  49 5  o 67.717  30.000 -0.2448 1.7058 1.0983  3.4747  -0.6713 1.9580 102.231 44.092 68.845  31.186 33.38603       54.00690 
1 1 1 -4  49 6  o 108.018 32.434 2.8244  1.6027 4.0585  3.2598  2.4310  1.8405 126.489 46.430 102.025 35.148 24.46335       58.23338 
1 1 1 -4  49 7  o 93.956  32.433 2.0146  1.5675 5.1096  3.5399  1.2597  1.7483 137.087 48.634 84.625  33.283 52.46226       58.93274 
1 1 1 -4  49 8  o 148.480 25.101 5.1259  1.5221 3.5815  2.8274  5.7561  1.8061 119.281 43.323 155.684 28.442 -36.40359      51.82528 
1 1 1 -4  49 9  o 178.103 30.519 7.6346  2.2191 10.599  3.8576  6.1688  2.7128 195.275 47.176 152.385 41.096 42.89053       62.56564 
1 1 1 -4  49 10 o 90.165  31.240 1.8659  1.4549 0.9549  2.5081  2.3279  1.7862 89.371  37.977 99.087  34.598 -9.716255      51.37386 
1 1 1 -4  49 11 o 190.331 20.925 8.1990  1.6588 7.2598  2.6672  8.7914  2.1183 166.868 38.524 193.552 26.542 -26.68407      46.78195 
1 1 1 -4  49 12 o 111.677 28.841 3.0446  1.3735 -2.1243 2.3977  5.5692  1.6757 66.243  31.474 153.208 26.803 -86.96550      41.33996 
1 1 1 -4  49 13 o 160.342 23.950 5.9682  1.5765 5.6979  2.6652  6.1136  1.9552 144.825 41.388 158.414 30.247 -13.58952      51.26235 
1 1 1 -4  50 1  o 98.960  33.488 2.3139  1.6695 1.5680  2.9488  2.6659  2.0254 99.782  41.717 105.489 36.841 -5.707077      55.65621 
1 1 1 -4  50 2  o 65.910  28.487 0.0994  1.4566 -1.0493 2.7612  0.5423  1.7145 78.567  36.134 75.332  31.672 3.234543       48.04939 
1 1 1 -4  50 3  o 93.177  33.001 1.9641  1.6292 4.8544  2.9799  0.7317  1.9458 134.105 44.742 80.743  33.833 53.36184       56.09326 
1 1 1 -4  50 4  o 97.411  32.535 2.2471  1.5757 4.3883  2.6623  1.0926  1.9549 128.836 42.257 84.707  34.541 44.12914       54.57802 
1 1 1 -4  50 5  o 200.345 22.711 9.1394  1.8929 6.3190  3.1655  10.709  2.3616 150.770 45.653 214.398 26.580 -63.62839      52.82695 
1 1 1 -4  50 6  o 113.951 31.396 3.2045  1.5635 0.5251  2.9192  4.2823  1.8515 90.570  39.717 130.786 33.331 -40.21606      51.84974 
1 1 1 -4  50 7  o 117.812 32.401 3.4630  1.6670 3.1407  3.8186  3.5389  1.8529 116.916 48.044 118.180 34.726 -1.263519      59.27987 
1 1 1 -4  50 8  o 105.315 31.649 2.7386  1.5256 1.4390  3.3119  3.0886  1.7188 100.430 43.181 110.938 33.651 -10.50817      54.74441 
1 1 1 -4  50 9  o 134.310 39.923 4.8339  2.4373 0.0000  0.0000  4.8339  2.4373 ?       ?      134.310 39.923 0.000000       39.92320 
1 1 1 -4  50 10 o 200.154 23.690 9.2453  1.9691 8.5473  4.5713  9.4043  2.1819 162.112 55.410 199.961 26.413 -37.84964      61.38313 
1 1 1 -4  50 11 o 76.387  31.318 0.8271  1.6180 3.1583  4.2057  0.4221  1.7529 117.257 49.467 73.851  31.574 43.40613       58.68504 
1 1 1 -4  51 1  o 74.300  31.124 0.6002  1.6458 0.0031  3.1766  0.8193  1.9242 89.212  40.130 80.672  33.711 8.540321       52.41025 
1 1 1 -4  51 2  o 55.229  26.450 -2.0147 1.7651 -3.5647 2.6623  -0.7988 2.3579 63.874  31.049 73.424  33.629 -9.549545      45.77054 
1 1 1 -4  51 3  o 122.027 30.298 3.6738  1.5585 5.2530  2.9271  3.0489  1.8412 137.157 44.264 109.900 35.069 27.25755       56.47273 
1 1 1 -4  51 4  o 165.893 25.208 6.4436  1.7152 6.4209  2.9323  6.4554  2.1148 152.036 43.399 161.536 32.045 -9.500122      53.94803 
1 1 1 -4  51 5  o 121.326 31.970 3.6894  1.6657 6.9585  2.8758  2.0390  2.0433 159.572 41.988 95.873  36.437 63.69901       55.59367 
1 1 1 -4  51 6  o 122.836 31.604 3.7752  1.6535 3.8076  3.1696  3.7631  1.9382 119.732 45.411 120.730 35.528 -0.9980087     57.65741 
1 1 1 -4  51 7  o 130.118 28.017 4.1055  1.4982 1.2315  2.7794  5.2825  1.7787 93.524  39.866 147.062 29.585 -53.53769      49.64416 
1 1 1 -4  51 8  o 189.365 22.548 8.2394  1.7727 11.443  3.0157  6.5477  2.1912 213.339 34.561 161.474 33.154 51.86540       47.89232 
1 1 1 -4  51 9  o 123.744 31.883 3.8525  1.6812 8.4478  3.8095  2.7411  1.8735 166.843 49.984 104.598 35.474 62.24456       61.29316 
1 1 1 -4  52 1  o 120.040 32.585 3.6502  1.6990 -2.0579 3.0497  6.2192  2.0459 75.706  35.832 158.283 31.628 -82.57700      47.79362 
1 1 1 -4  52 2  o 101.658 32.162 2.5668  1.5512 -0.4582 2.8900  3.7910  1.8385 82.350  37.530 121.438 34.260 -39.08855      50.81647 
1 1 1 -4  52 3  o 51.468  24.360 -1.3486 1.4095 -2.2618 2.6513  -0.9888 1.6642 69.094  32.905 59.589  27.634 9.505093       42.96925 
1 1 1 -4  52 4  o 79.342  32.116 1.0280  1.6754 2.3046  3.0899  0.4963  1.9940 104.566 43.122 77.832  33.486 26.73419       54.59667 
1 1 1 -4  52 5  o 110.626 32.529 3.0963  1.6254 4.1300  2.9178  2.6313  1.9571 122.320 44.073 102.895 36.199 19.42474       57.03333 
1 1 1 -4  52 6  o 158.046 27.577 6.0038  1.7786 7.4528  3.2016  5.3570  2.1391 161.005 45.137 143.699 35.385 17.30540       57.35337 
1 1 1 -4  52 7  o 78.788  30.687 1.1750  1.4744 3.4370  2.7292  0.2427  1.7521 114.336 42.392 71.714  31.119 42.62183       52.58771 
1 1 1 -3  0  1  o 786.325 22.347 131.560 7.4278 127.688 10.529  135.397 10.481 772.571 32.309 795.934 31.202 -0.000000      0.000000 
1 1 1 -3  0  2  o 704.206 21.863 105.555 6.5057 102.417 9.2431  108.636 9.1585 691.610 31.710 712.719 30.470 -0.000000      0.000000 
1 1 1 -3  0  3  o 205.604 20.885 9.2435  1.7755 9.4778  2.5467  9.0220  2.4765 204.133 31.747 198.776 31.878 -0.000000      0.000000 
1 1 1 -3  0  4  o 903.441 21.967 173.545 8.3934 170.808 12.138  176.053 11.619 894.155 32.149 908.278 30.284 -0.000000      0.000000 
1 1 1 -3  0  5  f 860.082 20.003 157.200 7.2769 159.587 10.975  155.327 9.7209 864.667 30.055 853.683 26.949 -0.000000      0.000000 
1 1 1 -3  0  6  o 912.647 22.655 177.139 8.7438 0.0000  0.0000  177.139 8.7438 912.647 22.655 912.647 22.655 -0.000000      0.000000 
1 1 1 -3  0  7  o 308.899 18.230 20.448  2.3658 20.448  2.3658  0.0000  0.0000 308.899 18.230 308.899 18.230 -0.000000      0.000000 
1 1 1 -3  0  8  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  0  9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  0  10 o 356.194 29.605 27.569  4.3948 0.0000  0.0000  27.569  4.3948 356.194 29.605 356.194 29.605 0.000000       0.000000 
1 1 1 -3  0  11 o 807.507 31.594 139.758 10.767 139.758 10.767  0.0000  0.0000 807.507 31.594 807.507 31.594 -0.000000      0.000000 
1 1 1 -3  0  12 o 418.054 30.215 37.875  5.2852 0.0000  0.0000  37.875  5.2852 418.054 30.215 418.054 30.215 0.000000       0.000000 
1 1 1 -3  0  13 o 78.482  36.742 1.9278  1.3657 1.9278  1.3657  0.0000  0.0000 78.482  36.742 78.482  36.742 -0.000000      0.000000 
1 1 1 -3  0  14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  0  15 o 1117.51 34.731 267.257 16.401 0.0000  0.0000  267.257 16.401 1117.51 34.731 1117.51 34.731 0.000000       0.000000 
1 1 1 -3  0  16 o 317.370 31.304 22.042  4.1134 0.0000  0.0000  22.042  4.1134 317.370 31.304 317.370 31.304 0.000000       0.000000 
1 1 1 -3  0  17 o 958.790 33.498 196.224 13.564 0.0000  0.0000  196.224 13.564 958.790 33.498 958.790 33.498 0.000000       0.000000 
1 1 1 -3  0  18 o 130.816 44.328 4.7043  2.1989 4.7043  2.1989  0.0000  0.0000 130.816 44.328 130.816 44.328 -0.000000      0.000000 
1 1 1 -3  0  19 o 260.154 33.883 15.099  3.5580 0.0000  0.0000  15.099  3.5580 260.154 33.883 260.154 33.883 0.000000       0.000000 
1 1 1 -3  0  20 o 91.784  42.956 2.6257  1.8666 0.0000  0.0000  2.6257  1.8666 91.784  42.956 91.784  42.956 0.000000       0.000000 
1 1 1 -3  0  21 o 726.433 32.638 112.960 9.9947 0.0000  0.0000  112.960 9.9947 726.433 32.638 726.433 32.638 0.000000       0.000000 
1 1 1 -3  0  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  0  23 o 1260.17 36.945 339.647 19.678 0.0000  0.0000  339.647 19.678 1260.17 36.945 1260.17 36.945 0.000000       0.000000 
1 1 1 -3  0  24 o 48.420  31.638 -0.1921 1.5950 -0.1921 1.5950  0.0000  0.0000 48.420  31.638 48.420  31.638 -0.000000      0.000000 
1 1 1 -3  0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  0  26 o 253.343 38.139 14.653  3.8181 14.653  3.8181  0.0000  0.0000 253.343 38.139 253.343 38.139 -0.000000      0.000000 
1 1 1 -3  0  27 o 78.043  43.321 1.8175  2.1105 1.8175  2.1105  0.0000  0.0000 78.043  43.321 78.043  43.321 -0.000000      0.000000 
1 1 1 -3  0  28 o 321.454 34.709 22.978  4.5856 22.978  4.5856  0.0000  0.0000 321.454 34.709 321.454 34.709 -0.000000      0.000000 
1 1 1 -3  0  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  0  30 o 81.131  47.211 1.8397  2.6741 1.8397  2.6741  0.0000  0.0000 81.131  47.211 81.131  47.211 -0.000000      0.000000 
1 1 1 -3  0  31 o 107.782 52.530 3.8469  2.8231 3.8469  2.8231  0.0000  0.0000 107.782 52.530 107.782 52.530 -0.000000      0.000000 
1 1 1 -3  0  32 o 420.836 35.436 39.594  6.2123 39.594  6.2123  0.0000  0.0000 420.836 35.436 420.836 35.436 -0.000000      0.000000 
1 1 1 -3  1  1  o 950.534 16.254 191.811 6.5428 195.618 9.2313  187.969 9.2748 958.733 22.736 939.682 23.307 19.05042       32.55980 
1 1 1 -3  1  2  o 1032.89 16.477 226.507 7.2072 225.518 10.151  227.512 10.234 1029.26 23.289 1033.78 23.376 -4.519531      32.99767 
1 1 1 -3  1  3  o 174.163 14.184 6.4781  1.0371 6.0591  1.4514  6.9151  1.4823 167.514 20.916 179.280 19.857 -11.76640      28.84016 
1 1 1 -3  1  4  o 405.383 13.637 34.861  2.3411 36.338  3.2422  33.252  3.3840 413.562 18.512 394.961 20.300 18.60086       27.47340 
1 1 1 -3  1  5  o 345.076 12.646 25.254  1.8480 25.329  2.5620  25.172  2.6682 344.889 17.600 343.729 18.396 1.159698       25.45940 
1 1 1 -3  1  6  o 852.885 22.127 154.771 7.9920 154.771 7.9920  0.0000  0.0000 852.885 22.127 ?       ?      0.000000       22.12692 
1 1 1 -3  1  7  o 841.808 21.985 150.777 7.8374 0.0000  0.0000  150.777 7.8374 ?       ?      841.808 21.985 0.000000       21.98456 
1 1 1 -3  1  8  o 494.594 17.577 51.969  3.6817 49.309  6.1987  53.419  4.5763 479.197 30.707 501.026 21.568 -21.82983      37.52441 
1 1 1 -3  1  9  o 972.770 32.867 202.909 13.540 202.909 13.540  0.0000  0.0000 972.770 32.867 ?       ?      0.000000       32.86691 
1 1 1 -3  1  10 o 325.338 29.720 22.856  4.0495 22.856  4.0495  0.0000  0.0000 325.338 29.720 ?       ?      0.000000       29.71986 
1 1 1 -3  1  11 o 529.019 30.323 60.288  6.7650 60.288  6.7650  0.0000  0.0000 529.019 30.323 ?       ?      0.000000       30.32285 
1 1 1 -3  1  12 o 266.151 20.991 15.208  2.3468 16.568  3.3502  13.898  3.2883 276.202 29.079 252.140 31.481 24.06236       42.85601 
1 1 1 -3  1  13 o 260.001 21.291 14.526  2.3238 14.089  3.3125  14.950  3.2607 253.833 31.492 261.970 29.929 -8.136429      43.44485 
1 1 1 -3  1  14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  1  15 o 367.334 21.456 28.838  3.3232 27.492  4.7316  30.148  4.6684 356.678 31.654 374.062 29.715 -17.38443      43.41599 
1 1 1 -3  1  16 o 820.663 22.846 143.340 7.9398 140.665 11.262  145.984 11.195 810.771 32.801 826.170 31.997 -15.39850      45.82304 
1 1 1 -3  1  17 o 376.205 21.756 30.180  3.4513 30.297  4.8959  30.064  4.8660 375.578 31.060 374.135 30.990 1.443237       43.87649 
1 1 1 -3  1  18 o 145.300 25.441 4.6210  1.5084 4.9607  2.0962  4.2562  2.1722 149.522 33.888 138.636 36.498 10.88617       49.80424 
1 1 1 -3  1  19 o 341.381 21.978 24.865  3.1605 26.065  4.4940  23.691  4.4455 348.321 30.783 331.746 32.042 16.57547       44.43247 
1 1 1 -3  1  20 o 639.203 22.442 86.869  6.0750 80.963  8.6184  92.700  8.5646 614.733 33.229 659.146 30.682 -44.41309      45.22760 
1 1 1 -3  1  21 o 1349.90 26.487 388.361 15.142 369.466 21.426  407.214 21.402 1311.91 38.565 1378.20 36.670 -66.28650      53.21568 
1 1 1 -3  1  22 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  1  23 o 592.764 22.675 74.823  5.6921 79.248  8.0888  70.482  8.0115 607.650 31.541 572.548 33.184 35.10181       45.78235 
1 1 1 -3  1  24 o 307.071 23.378 20.214  3.0172 18.940  4.2655  21.489  4.2685 294.940 34.822 314.936 32.470 -19.99646      47.61159 
1 1 1 -3  1  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  1  26 o 222.540 25.187 10.748  2.3319 8.9861  3.2885  12.530  3.3072 199.501 40.310 238.410 33.695 -38.90849      52.53798 
1 1 1 -3  1  27 o 377.165 23.289 30.621  3.7017 30.209  5.2300  31.035  5.2399 371.362 33.620 376.599 33.194 -5.236908      47.24561 
1 1 1 -3  1  28 o 435.174 23.250 40.809  4.2694 41.723  6.0478  39.900  6.0279 436.259 32.978 426.267 33.666 9.992645       47.12691 
1 1 1 -3  1  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  1  30 o 428.944 24.357 40.037  4.4064 31.550  6.1998  48.700  6.2637 372.163 39.963 468.942 31.727 -96.77878      51.02592 
1 1 1 -3  1  31 f 219.573 27.850 10.743  2.5315 11.186  3.5101  10.262  3.6542 219.091 39.274 207.891 42.928 11.19989       58.18347 
1 1 1 -3  1  32 o 372.089 24.703 30.457  3.8704 30.787  5.3723  30.101  5.5809 367.383 34.951 361.740 36.949 5.643250       50.86091 
1 1 1 -3  2  1  f 207.545 14.394 9.1832  1.2573 9.2756  1.7725  9.0895  1.7838 207.887 20.395 205.720 20.759 2.166870       29.10172 
1 1 1 -3  2  2  f 200.218 14.142 8.5472  1.1914 7.8276  1.6685  9.2959  1.7018 190.714 21.007 208.230 19.526 -17.51634      28.68064 
1 1 1 -3  2  3  o 322.730 15.464 22.106  2.1135 23.577  3.4508  21.223  2.6737 331.780 24.737 315.328 20.127 16.45169       31.89105 
1 1 1 -3  2  4  o 234.426 14.504 11.705  1.4328 11.050  2.2959  12.123  1.8337 226.503 24.315 238.183 18.320 -11.68024      30.44448 
1 1 1 -3  2  5  o 1028.09 18.664 224.581 8.1259 218.151 10.989  232.340 12.071 1011.73 25.647 1043.66 27.311 -31.93292      37.46539 
1 1 1 -3  2  6  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  2  7  o 702.701 15.360 104.806 4.5709 101.208 6.8026  107.768 6.1719 689.471 23.298 711.907 20.471 -22.43585      31.01406 
1 1 1 -3  2  8  o 920.355 18.987 180.058 7.4004 195.220 12.125  171.057 9.3424 955.563 29.962 895.871 24.625 59.69196       38.78298 
1 1 1 -3  2  9  f 393.329 29.530 33.277  4.8830 33.277  4.8830  0.0000  0.0000 393.329 29.530 ?       ?      0.000000       29.53025 
1 1 1 -3  2  10 o 928.366 32.760 185.120 12.880 185.120 12.880  0.0000  0.0000 928.366 32.760 ?       ?      0.000000       32.75974 
1 1 1 -3  2  11 o 830.253 32.155 148.313 11.306 148.313 11.306  0.0000  0.0000 830.253 32.155 ?       ?      0.000000       32.15541 
1 1 1 -3  2  12 o 344.977 30.270 25.796  4.3776 25.796  4.3776  0.0000  0.0000 344.977 30.270 ?       ?      0.000000       30.26989 
1 1 1 -3  2  13 o 450.027 30.591 43.800  5.7955 43.800  5.7955  0.0000  0.0000 450.027 30.591 ?       ?      0.000000       30.59080 
1 1 1 -3  2  14 o 541.184 30.030 63.099  6.8555 0.0000  0.0000  63.099  6.8555 ?       ?      541.184 30.030 0.000000       30.03035 
1 1 1 -3  2  15 o 296.880 21.426 18.868  2.6757 19.023  3.8252  18.720  3.7442 296.372 30.933 294.066 30.509 2.305603       43.44728 
1 1 1 -3  2  16 o 420.733 21.447 37.747  3.8087 37.836  5.4422  37.662  5.3321 419.667 30.837 418.811 30.267 0.8554688      43.20920 
1 1 1 -3  2  17 o 609.007 21.985 78.833  5.6702 83.208  8.0915  74.611  7.9482 624.576 30.592 590.400 31.907 34.17578       44.20333 
1 1 1 -3  2  18 o 493.203 21.790 51.680  4.5512 52.125  6.4818  51.248  6.3919 493.491 31.175 489.331 31.005 4.159760       43.96834 
1 1 1 -3  2  19 o 709.489 22.585 106.985 6.7861 112.616 9.6500  101.476 9.5447 726.671 31.358 689.579 32.684 37.09192       45.29420 
1 1 1 -3  2  20 o 945.183 23.840 190.043 9.5424 188.753 13.516  191.326 13.474 939.742 33.962 946.211 33.626 -6.468689      47.79241 
1 1 1 -3  2  21 o 357.984 31.888 27.603  4.7837 27.603  4.7837  0.0000  0.0000 357.984 31.888 ?       ?      0.000000       31.88827 
1 1 1 -3  2  22 o 488.480 32.385 51.291  6.6613 0.0000  0.0000  51.291  6.6613 ?       ?      488.480 32.385 0.000000       32.38461 
1 1 1 -3  2  23 o 1070.31 24.795 244.218 11.239 245.501 15.904  242.938 15.884 1069.49 35.115 1063.84 35.257 5.654785       49.76072 
1 1 1 -3  2  24 o 407.428 23.067 35.491  3.9637 34.092  5.5698  36.926  5.6419 397.176 33.425 413.697 32.464 -16.52042      46.59499 
1 1 1 -3  2  25 o 346.586 33.197 26.097  4.8129 26.097  4.8129  0.0000  0.0000 346.586 33.197 ?       ?      0.000000       33.19702 
1 1 1 -3  2  26 o 309.356 23.564 20.603  3.0638 24.192  4.3461  17.056  4.3198 333.447 31.138 277.595 37.723 55.85208       48.91395 
1 1 1 -3  2  27 o 312.838 23.567 21.111  3.0993 21.709  4.3911  20.518  4.3751 314.380 33.498 305.230 34.450 9.150665       48.05079 
1 1 1 -3  2  28 o 559.402 23.257 67.257  5.5097 61.233  7.7636  73.369  7.8204 527.850 34.928 579.658 31.981 -51.80792      47.35774 
1 1 1 -3  2  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  2  30 o 308.849 24.825 20.838  3.2196 20.928  4.4137  20.736  4.7068 305.125 34.778 302.284 37.579 2.841064       51.20252 
1 1 1 -3  2  31 o 372.492 24.270 30.346  3.8076 31.630  5.2862  28.962  5.4892 374.945 33.650 356.586 36.883 18.35876       49.92607 
1 1 1 -3  2  32 o 302.619 25.462 20.236  3.2329 20.898  4.4595  19.503  4.6934 301.782 35.578 288.997 39.373 12.78479       53.06613 
1 1 1 -3  3  1  o 978.999 18.321 203.615 7.5957 214.491 12.918  197.867 9.3908 1001.91 30.445 964.169 22.999 37.73663       38.15532 
1 1 1 -3  3  2  o 995.914 21.548 210.981 9.0879 214.418 12.675  207.344 13.037 1001.89 29.873 984.815 31.260 17.07513       43.23857 
1 1 1 -3  3  3  o 418.111 17.579 37.130  3.1126 38.226  4.3152  35.941  4.4938 422.983 24.191 409.810 26.029 13.17282       35.53402 
1 1 1 -3  3  4  o 352.173 16.386 26.332  2.4439 27.532  3.3901  25.033  3.5264 359.009 22.410 341.955 24.513 17.05392       33.21294 
1 1 1 -3  3  5  o 634.266 15.473 85.386  4.1562 83.272  5.5702  88.041  6.2426 625.740 21.020 643.144 22.920 -17.40442      31.09917 
1 1 1 -3  3  6  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  3  7  o 490.924 17.310 51.188  3.5989 69.415  4.4557  16.982  6.1040 571.573 18.408 274.615 54.410 296.9575       57.43911 
1 1 1 -3  3  8  o 573.226 14.393 69.735  3.4939 60.520  6.3517  73.732  4.1837 531.557 28.318 589.190 16.767 -57.63312      32.91000 
1 1 1 -3  3  9  o 1069.88 17.643 243.276 7.9937 245.503 14.634  242.329 9.5434 1070.09 32.292 1066.93 21.121 3.161987       38.58590 
1 1 1 -3  3  10 o 637.520 21.176 86.585  5.7173 89.039  8.0227  84.054  8.1497 644.681 29.385 626.030 30.740 18.65076       42.52569 
1 1 1 -3  3  11 o 581.250 21.152 72.046  5.2068 72.368  7.3587  71.722  7.3682 579.723 30.077 577.066 30.256 2.657104       42.66180 
1 1 1 -3  3  12 o 725.387 21.885 112.372 6.7231 112.425 9.5651  112.320 9.4517 722.373 31.267 722.178 30.905 0.1953125      43.96249 
1 1 1 -3  3  13 o 168.232 32.307 6.3005  2.2180 6.3005  2.2180  0.0000  0.0000 168.232 32.307 ?       ?      0.000000       32.30671 
1 1 1 -3  3  14 o 443.484 21.040 41.938  3.9516 40.345  5.6638  43.449  5.5161 432.124 31.159 449.058 29.164 -16.93405      42.67769 
1 1 1 -3  3  15 o 572.419 30.124 70.359  7.2768 0.0000  0.0000  70.359  7.2768 ?       ?      572.419 30.124 0.000000       30.12393 
1 1 1 -3  3  16 o 355.569 17.308 26.848  2.6063 24.279  4.5611  28.093  3.1759 335.389 32.522 362.909 20.750 -27.51981      38.57758 
1 1 1 -3  3  17 o 1015.44 19.273 218.966 8.2881 215.767 14.555  220.501 10.083 1004.88 34.201 1018.30 23.380 -13.41858      41.42918 
1 1 1 -3  3  18 o 531.343 17.638 59.913  3.9690 55.257  6.9589  62.158  4.8319 507.922 32.523 540.949 21.092 -33.02679      38.76340 
1 1 1 -3  3  19 o 1031.76 19.484 226.040 8.5135 225.147 14.949  226.469 10.357 1026.70 34.381 1032.05 23.697 -5.352539      41.75681 
1 1 1 -3  3  20 o 760.411 18.446 122.778 5.9400 119.717 10.438  124.244 7.2238 748.601 32.925 764.444 22.314 -15.84314      39.77369 
1 1 1 -3  3  21 o 475.952 31.795 48.632  6.3717 48.632  6.3717  0.0000  0.0000 475.952 31.795 ?       ?      0.000000       31.79462 
1 1 1 -3  3  22 o 603.557 32.399 78.197  8.2510 0.0000  0.0000  78.197  8.2510 ?       ?      603.557 32.399 0.000000       32.39942 
1 1 1 -3  3  23 o 623.463 22.837 82.784  6.0298 95.990  8.5432  69.675  8.5117 669.929 30.113 568.593 35.527 101.3353       46.57153 
1 1 1 -3  3  24 o 862.972 23.818 158.803 8.7046 155.184 12.256  162.488 12.365 849.978 34.049 869.927 33.563 -19.94824      47.81038 
1 1 1 -3  3  25 o 485.349 32.478 50.926  6.6370 50.926  6.6370  0.0000  0.0000 485.349 32.478 ?       ?      0.000000       32.47776 
1 1 1 -3  3  26 o 484.904 23.079 50.320  4.7393 45.635  6.6213  55.242  6.7866 457.632 34.417 504.693 31.917 -47.06091      46.93884 
1 1 1 -3  3  27 o 167.851 27.190 6.2178  1.8667 7.0963  2.5794  5.2519  2.7048 177.458 35.561 151.856 41.070 25.60175       54.32626 
1 1 1 -3  3  28 o 860.324 24.203 159.296 8.8182 166.340 12.474  152.259 12.467 872.507 33.760 833.545 35.319 38.96191       48.85827 
1 1 1 -3  3  29 o 261.938 35.953 15.443  3.8830 0.0000  0.0000  15.443  3.8830 ?       ?      261.938 35.953 0.000000       35.95328 
1 1 1 -3  3  30 o 411.836 23.800 36.878  4.1332 39.520  5.7385  34.030  5.9581 421.790 32.373 388.700 36.627 33.08994       48.88307 
1 1 1 -3  3  31 o 179.528 29.021 7.2648  2.1311 6.4419  2.8153  8.3692  3.2614 164.775 40.607 187.574 42.091 -22.79909      58.48591 
1 1 1 -3  3  32 o 382.434 24.341 32.139  3.9217 29.704  5.4463  34.761  5.6516 359.799 36.237 390.802 34.503 -31.00232      50.03550 
1 1 1 -3  4  1  o 324.951 18.761 22.510  2.5708 20.218  3.5694  24.982  3.7058 306.609 27.791 341.406 25.822 -34.79727      37.93601 
1 1 1 -3  4  2  o 283.772 17.745 17.170  2.1217 17.477  2.9525  16.843  3.0511 285.394 24.671 279.910 26.038 5.483459       35.86975 
1 1 1 -3  4  3  o 368.952 16.907 28.906  2.6416 29.368  3.6977  28.424  3.7752 370.645 23.681 364.476 24.602 6.168274       34.14783 
1 1 1 -3  4  4  o 839.609 18.050 149.751 6.4180 148.699 8.8650  150.909 9.3037 835.408 25.057 841.372 26.111 -5.963806      36.18911 
1 1 1 -3  4  5  o 242.666 13.624 12.531  1.3945 13.298  1.8828  11.600  2.0753 249.566 17.935 232.568 21.308 16.99896       27.85110 
1 1 1 -3  4  6  o 626.673 14.583 83.332  3.8703 84.623  5.6321  82.176  5.3275 630.788 21.084 621.709 20.234 9.079529       29.22244 
1 1 1 -3  4  7  o 396.041 9.9551 33.246  1.6697 33.985  2.2562  32.351  2.4825 400.257 13.310 390.419 15.015 9.838257       20.06516 
1 1 1 -3  4  8  o 1134.40 16.693 273.330 8.0197 270.552 13.965  274.697 9.7959 1125.00 29.312 1136.38 20.355 -11.37305      35.68679 
1 1 1 -3  4  9  f 735.091 15.223 114.743 4.7389 113.022 8.4435  115.535 5.7257 727.253 27.415 737.151 18.341 -9.897827      32.98482 
1 1 1 -3  4  10 o 786.839 21.457 131.936 7.1498 133.137 9.8110  130.576 10.441 788.214 29.392 779.868 31.614 8.346252       43.16599 
1 1 1 -3  4  11 o 614.948 21.136 80.655  5.5043 85.116  7.6551  75.879  7.9202 629.813 28.701 593.015 31.652 36.79852       42.72685 
1 1 1 -3  4  12 f 632.546 21.335 85.417  5.7152 82.491  8.0018  88.464  8.1657 618.988 30.526 641.163 30.073 -22.17523      42.85122 
1 1 1 -3  4  13 o 388.489 29.658 32.638  4.8425 32.638  4.8425  0.0000  0.0000 388.489 29.658 ?       ?      0.000000       29.65807 
1 1 1 -3  4  14 o 334.575 30.055 24.220  4.2130 0.0000  0.0000  24.220  4.2130 ?       ?      334.575 30.055 0.000000       30.05502 
1 1 1 -3  4  15 o 455.550 21.118 44.183  4.0742 42.137  5.7740  46.212  5.7495 442.443 31.012 463.801 29.425 -21.35864      42.74996 
1 1 1 -3  4  16 o 278.658 21.354 16.609  2.5008 15.673  3.5456  17.535  3.5278 268.974 31.738 285.086 29.654 -16.11264      43.43568 
1 1 1 -3  4  17 o 647.498 21.812 89.101  5.9812 96.550  8.5669  82.017  8.3544 672.914 30.062 619.120 31.973 53.79401       43.88624 
1 1 1 -3  4  18 o 679.365 17.962 97.952  5.1678 102.777 9.0630  95.627  6.2907 694.356 30.821 670.858 22.142 23.49829       37.95007 
1 1 1 -3  4  19 o 1162.67 20.098 287.097 9.8956 296.085 17.351  282.765 12.047 1177.21 34.804 1152.99 24.672 24.22253       42.66213 
1 1 1 -3  4  20 o 172.466 19.676 6.3998  1.4114 7.3923  2.4042  5.8779  1.7434 183.450 32.116 164.185 25.934 19.26526       41.27998 
1 1 1 -3  4  21 o 845.006 33.126 152.769 11.854 152.769 11.854  0.0000  0.0000 845.006 33.126 ?       ?      0.000000       33.12649 
1 1 1 -3  4  22 o 642.536 22.271 87.876  6.0601 0.0000  0.0000  87.876  6.0601 ?       ?      642.536 22.271 0.000000       22.27102 
1 1 1 -3  4  23 o 821.688 18.882 143.534 6.5704 136.384 11.476  147.020 8.0138 797.426 33.984 830.857 22.775 -33.43060      40.90990 
1 1 1 -3  4  24 o 918.307 23.977 179.854 9.3244 186.547 13.202  173.191 13.172 932.077 33.446 897.636 34.649 34.44141       48.15808 
1 1 1 -3  4  25 o 727.082 22.825 112.878 7.0280 99.064  10.074  125.975 9.8095 676.380 35.292 765.703 30.251 -89.32251      46.48264 
1 1 1 -3  4  26 o 223.865 26.238 10.901  2.4403 9.1770  3.2429  13.151  3.7053 201.828 39.355 243.277 37.143 -41.44882      54.11460 
1 1 1 -3  4  27 o 513.527 23.042 56.558  5.0111 54.529  7.0033  58.687  7.1732 499.781 33.279 518.770 32.820 -18.98917      46.74026 
1 1 1 -3  4  28 o 437.976 33.045 42.088  6.0839 42.088  6.0839  0.0000  0.0000 437.976 33.045 ?       ?      0.000000       33.04465 
1 1 1 -3  4  29 o 192.574 41.396 8.6189  3.2755 0.0000  0.0000  8.6189  3.2755 ?       ?      192.574 41.396 0.000000       41.39555 
1 1 1 -3  4  30 o 98.346  32.491 2.0663  1.5728 2.0339  1.9424  2.1279  2.6802 101.163 36.012 109.855 41.736 -8.691719      55.12473 
1 1 1 -3  4  31 o 651.807 23.943 92.543  6.6090 90.384  9.1935  94.852  9.5074 634.089 34.365 649.235 34.705 -15.14624      48.84016 
1 1 1 -3  4  32 o 400.212 24.062 35.163  4.0593 35.798  5.6095  34.464  5.8815 397.219 33.663 387.676 36.245 9.543152       49.46600 
1 1 1 -3  5  1  f 834.201 28.180 148.507 9.9554 148.507 9.9554  0.0000  0.0000 834.201 28.180 ?       ?      0.000000       28.18023 
1 1 1 -3  5  2  f 831.469 19.347 146.931 6.8124 145.680 9.5524  148.225 9.7181 826.413 27.294 833.547 27.530 -7.133911      38.76692 
1 1 1 -3  5  3  o 733.065 18.104 114.159 5.6204 112.863 7.8479  115.523 8.0531 727.740 25.464 736.198 25.830 -8.458496      36.27153 
1 1 1 -3  5  4  o 560.925 15.921 66.791  3.7819 67.015  5.1458  66.527  5.5769 561.268 21.649 558.982 23.559 2.285645       31.99517 
1 1 1 -3  5  5  o 1576.04 22.662 528.640 15.126 541.967 21.163  514.722 21.626 1592.08 31.389 1550.79 32.930 41.28845       45.49289 
1 1 1 -3  5  6  o 664.190 11.895 93.543  3.3459 95.417  5.8679  92.640  4.0729 669.855 20.685 660.746 14.556 9.109131       25.29319 
1 1 1 -3  5  7  o 901.845 11.787 172.470 4.5018 168.119 6.1797  177.391 6.5712 889.785 16.400 913.899 16.979 -24.11401      23.60576 
1 1 1 -3  5  8  o 221.880 10.311 10.437  0.9689 10.665  1.3663  10.206  1.3741 223.696 14.501 218.762 14.921 4.934235       20.80696 
1 1 1 -3  5  9  o 772.609 14.854 126.747 4.8600 124.862 8.5685  127.640 5.9010 764.549 26.464 774.829 17.984 -10.28094      31.99620 
1 1 1 -3  5  10 o 492.249 19.336 51.583  4.0309 51.191  5.4025  52.075  6.0541 488.609 26.204 492.086 29.181 -3.477112      39.22014 
1 1 1 -3  5  11 o 546.015 20.332 63.566  4.7015 65.870  6.4003  60.865  6.9291 554.302 27.265 531.033 30.945 23.26910       41.24330 
1 1 1 -3  5  12 o 366.242 20.508 28.707  3.1680 28.543  4.3758  28.888  4.5924 363.362 28.669 365.223 29.956 -1.860809      41.46410 
1 1 1 -3  5  13 o 253.367 29.826 13.987  3.1390 13.987  3.1390  0.0000  0.0000 253.367 29.826 ?       ?      0.000000       29.82558 
1 1 1 -3  5  14 o 394.191 30.430 33.554  5.0405 0.0000  0.0000  33.554  5.0405 ?       ?      394.191 30.430 0.000000       30.42989 
1 1 1 -3  5  15 o 570.384 21.322 69.262  5.1504 71.311  7.2484  67.174  7.3196 576.534 29.789 559.204 31.030 17.32990       43.01456 
1 1 1 -3  5  16 o 719.305 22.000 110.047 6.7015 111.597 9.4510  108.479 9.5039 722.795 30.876 712.499 31.497 10.29620       44.10684 
1 1 1 -3  5  17 o 1288.57 25.388 353.310 13.854 357.690 19.597  348.936 19.587 1293.41 35.778 1277.34 36.210 16.07446       50.90411 
1 1 1 -3  5  18 o 611.400 21.746 79.418  5.6304 78.378  7.9865  80.446  7.9390 605.517 31.252 614.351 30.514 -8.833984      43.67818 
1 1 1 -3  5  19 f 796.006 18.455 134.511 6.2211 141.029 10.806  131.279 7.6084 813.103 31.382 785.849 22.862 27.25397       38.82623 
1 1 1 -3  5  20 f 499.082 21.540 52.948  4.5526 51.096  6.4838  54.748  6.3939 488.207 31.529 505.707 29.989 -17.50076      43.51362 
1 1 1 -3  5  21 o 590.071 22.173 74.075  5.5409 74.925  7.8055  73.210  7.8669 591.274 31.284 584.305 31.913 6.968689       44.68879 
1 1 1 -3  5  22 o 690.366 22.318 101.453 6.5250 0.0000  0.0000  101.453 6.5250 ?       ?      690.366 22.318 0.000000       22.31826 
1 1 1 -3  5  23 o 156.129 22.164 5.2920  1.4243 7.0650  2.3797  4.3022  1.7779 178.898 32.611 139.109 30.975 39.79001       44.97749 
1 1 1 -3  5  24 o 672.701 22.854 96.461  6.5107 95.695  9.1371  97.251  9.2795 667.813 32.308 673.155 32.551 -5.341125      45.86265 
1 1 1 -3  5  25 o 518.210 18.271 57.174  4.0096 45.286  6.8962  63.246  4.9283 456.306 35.979 544.485 21.373 -88.17899      41.84822 
1 1 1 -3  5  26 o 223.395 19.987 10.737  1.8709 7.6022  3.1105  12.515  2.3419 182.892 41.154 240.681 23.266 -57.78897      47.27573 
1 1 1 -3  5  27 o 360.912 18.688 27.890  2.8466 28.594  4.8847  27.528  3.5028 361.570 32.239 357.471 23.265 4.099426       39.75708 
1 1 1 -3  5  28 o 470.513 32.664 48.526  6.4681 48.526  6.4681  0.0000  0.0000 470.513 32.664 ?       ?      0.000000       32.66352 
1 1 1 -3  5  29 o 151.743 43.289 5.3631  2.9184 0.0000  0.0000  5.3631  2.9184 ?       ?      151.743 43.289 0.000000       43.28931 
1 1 1 -3  5  30 o 401.992 23.664 35.143  4.0107 34.805  5.5108  35.523  5.8483 395.065 33.248 398.038 35.052 -2.972992      48.31211 
1 1 1 -3  5  31 o 144.902 30.837 4.8185  1.8342 5.4977  2.4257  3.9114  2.8030 152.852 37.707 130.989 43.379 21.86227       57.47631 
1 1 1 -3  5  32 o 142.979 32.305 4.7528  1.9100 3.8257  2.4677  6.1379  3.0163 128.070 40.571 158.890 43.537 -30.82011      59.50994 
1 1 1 -3  6  1  o 293.517 24.711 18.480  3.0430 18.480  3.0430  0.0000  0.0000 293.517 24.711 ?       ?      0.000000       24.71062 
1 1 1 -3  6  2  o 339.976 23.926 24.733  3.4228 24.733  3.4228  0.0000  0.0000 339.976 23.926 ?       ?      0.000000       23.92561 
1 1 1 -3  6  3  o 529.360 16.712 59.500  3.7465 60.839  5.2105  58.068  5.3907 534.618 23.014 522.133 24.379 12.48553       33.52605 
1 1 1 -3  6  4  o 768.872 13.612 125.407 4.4322 123.967 7.4036  126.212 5.5333 763.159 22.908 770.943 16.948 -7.784485      28.49555 
1 1 1 -3  6  5  o 1570.11 22.482 524.631 14.949 527.214 20.938  521.945 21.350 1570.20 31.488 1561.94 32.277 8.254395       45.09156 
1 1 1 -3  6  6  o 420.443 10.798 37.475  1.9226 35.990  3.3368  38.213  2.3523 411.500 19.148 424.445 13.086 -12.94565      23.19248 
1 1 1 -3  6  7  o 830.149 11.382 146.128 4.0016 149.539 5.5336  142.390 5.7936 839.267 15.569 818.799 16.708 20.46844       22.83757 
1 1 1 -3  6  8  o 825.439 11.936 144.513 4.1724 143.530 5.8260  145.548 5.9783 821.968 16.737 827.673 17.056 -5.705078      23.89600 
1 1 1 -3  6  9  o 1244.69 22.160 330.138 11.681 323.909 15.961  337.322 17.141 1229.33 30.659 1253.70 32.284 -24.37195      44.52228 
1 1 1 -3  6  10 o 378.723 18.310 30.522  2.9366 31.153  3.9026  29.698  4.4589 381.149 24.304 371.198 28.584 9.951233       37.52015 
1 1 1 -3  6  11 o 332.099 19.197 23.581  2.6883 22.909  3.5971  24.431  4.0461 325.942 26.283 336.092 28.703 -10.14941      38.91831 
1 1 1 -3  6  12 o 511.163 20.149 55.740  4.3618 58.641  5.9107  52.271  6.4632 522.148 26.821 491.521 31.212 30.62695       41.15235 
1 1 1 -3  6  13 o 158.322 30.675 5.5708  1.9824 5.5708  1.9824  0.0000  0.0000 158.322 30.675 ?       ?      0.000000       30.67451 
1 1 1 -3  6  14 o 589.419 30.855 74.791  7.6751 0.0000  0.0000  74.791  7.6751 ?       ?      589.419 30.855 0.000000       30.85512 
1 1 1 -3  6  15 o 577.198 21.374 70.916  5.2245 69.198  7.2676  72.753  7.5158 567.875 30.330 582.254 30.588 -14.37958      43.07553 
1 1 1 -3  6  16 o 579.220 21.425 71.333  5.2555 67.950  7.3302  74.912  7.5389 563.255 30.847 591.622 30.190 -28.36664      43.16277 
1 1 1 -3  6  17 f 1143.36 24.327 278.042 11.779 267.797 16.558  288.539 16.760 1119.47 34.927 1162.28 34.050 -42.80774      48.77828 
1 1 1 -3  6  18 o 554.265 21.493 65.265  5.0450 60.605  7.0829  70.064  7.1876 532.181 31.568 572.663 29.740 -40.48181      43.37070 
1 1 1 -3  6  19 o 1780.11 29.310 675.380 22.096 666.212 31.200  684.603 31.296 1762.06 41.811 1786.47 41.366 -24.40430      58.81639 
1 1 1 -3  6  20 o 645.625 21.962 88.626  6.0047 93.311  8.5107  83.982  8.4733 661.230 30.393 626.230 32.058 34.99976       44.17473 
1 1 1 -3  6  21 o 628.842 22.233 84.137  5.9209 89.847  8.3510  78.365  8.3959 648.479 30.409 604.293 32.932 44.18579       44.82415 
1 1 1 -3  6  22 o 923.190 23.448 181.533 9.1672 0.0000  0.0000  181.533 9.1672 ?       ?      923.190 23.448 0.000000       23.44772 
1 1 1 -3  6  23 o 460.567 17.930 45.080  3.4972 40.475  6.0324  47.412  4.2921 433.289 33.126 471.952 21.475 -38.66324      39.47795 
1 1 1 -3  6  24 o 336.986 34.130 24.649  4.8035 0.0000  0.0000  24.649  4.8035 ?       ?      336.986 34.130 0.000000       34.12977 
1 1 1 -3  6  25 o 664.863 18.458 94.137  5.1972 94.040  9.0266  94.186  6.3566 660.659 32.263 664.088 22.602 -3.428528      39.39234 
1 1 1 -3  6  26 o 628.420 18.421 84.219  4.9025 87.866  8.5179  82.413  5.9949 637.516 31.550 620.468 22.815 17.04724       38.93478 
1 1 1 -3  6  27 o 510.297 18.353 55.601  3.9662 50.503  6.8206  58.206  4.8751 480.534 33.730 521.143 22.089 -40.60889      40.31937 
1 1 1 -3  6  28 o 147.170 37.364 4.9527  2.3329 4.9527  2.3329  0.0000  0.0000 147.170 37.364 ?       ?      0.000000       37.36439 
1 1 1 -3  6  29 o 298.941 23.640 19.434  2.9684 0.0000  0.0000  19.434  2.9684 ?       ?      298.941 23.640 0.000000       23.63987 
1 1 1 -3  6  30 o 256.151 19.940 14.211  2.1460 15.598  3.6791  13.496  2.6420 263.217 33.785 247.814 25.540 15.40346       42.35286 
1 1 1 -3  6  31 o 339.402 23.781 25.218  3.3966 26.409  4.6873  23.901  4.9287 342.483 32.716 323.271 36.649 19.21149       49.12714 
1 1 1 -3  6  32 o 193.358 27.653 8.4128  2.1999 8.1096  2.9387  8.7993  3.3179 184.885 38.771 191.090 42.133 -6.204468      57.25710 
1 1 1 -3  7  1  o 284.909 24.716 17.420  2.9526 0.0000  0.0000  17.420  2.9526 ?       ?      284.909 24.716 0.000000       24.71569 
1 1 1 -3  7  2  o 254.120 23.451 13.864  2.4952 13.864  2.4952  0.0000  0.0000 254.120 23.451 ?       ?      0.000000       23.45082 
1 1 1 -3  7  3  o 275.609 21.528 16.256  2.4928 16.256  2.4928  0.0000  0.0000 275.609 21.528 ?       ?      0.000000       21.52809 
1 1 1 -3  7  4  o 929.871 17.220 183.630 6.7812 189.008 9.5053  178.054 9.6773 942.122 23.824 914.154 24.997 27.96814       34.53167 
1 1 1 -3  7  5  o 1228.71 26.945 322.013 14.021 322.013 14.021  0.0000  0.0000 1228.71 26.945 ?       ?      0.000000       26.94544 
1 1 1 -3  7  6  o 892.831 16.031 169.249 6.0614 172.594 8.5785  165.913 8.5657 900.436 22.497 882.747 22.913 17.68872       32.11086 
1 1 1 -3  7  7  o 790.416 12.802 132.532 4.2853 131.335 5.1305  135.294 7.7935 786.516 15.403 796.970 23.091 -10.45428      27.75707 
1 1 1 -3  7  8  o 445.194 12.065 42.041  2.2746 40.326  2.6513  46.825  4.4273 435.856 14.364 468.842 22.298 -32.98611      26.52438 
1 1 1 -3  7  9  o 639.813 13.998 86.910  3.7927 87.644  4.4874  85.074  7.0963 642.179 16.500 630.853 26.562 11.32562       31.26971 
1 1 1 -3  7  10 f 293.035 13.367 18.233  1.6588 17.526  2.9222  18.569  2.0150 285.367 24.416 295.096 16.185 -9.728424      29.29298 
1 1 1 -3  7  11 o 173.505 14.720 6.4445  1.0714 6.9374  1.8212  6.1837  1.3248 178.381 24.777 169.336 18.791 9.045059       31.09709 
1 1 1 -3  7  12 o 117.415 28.676 3.0804  1.4136 3.0804  1.4136  0.0000  0.0000 117.415 28.676 ?       ?      0.000000       28.67585 
1 1 1 -3  7  13 o 180.663 28.995 7.1787  2.1433 7.1787  2.1433  0.0000  0.0000 180.663 28.995 ?       ?      0.000000       28.99469 
1 1 1 -3  7  14 o 520.818 30.554 58.393  6.7095 0.0000  0.0000  58.393  6.7095 ?       ?      520.818 30.554 0.000000       30.55386 
1 1 1 -3  7  15 o 231.399 21.201 11.489  2.0545 11.230  2.8285  11.778  2.9890 227.226 30.137 232.599 31.125 -5.372971      43.32442 
1 1 1 -3  7  16 o 338.517 21.134 24.453  3.0147 23.867  4.1867  25.084  4.3444 333.104 30.001 341.500 30.356 -8.396179      42.67973 
1 1 1 -3  7  17 o 448.567 21.289 42.749  4.0441 41.193  5.6074  44.436  5.8379 438.539 30.381 455.539 30.437 -16.99933      43.00423 
1 1 1 -3  7  18 o 688.666 21.976 100.773 6.4091 99.309  8.9560  102.310 9.1757 682.473 30.987 692.662 31.281 -10.18884      44.03059 
1 1 1 -3  7  19 o 770.011 22.350 126.035 7.2880 128.193 10.242  123.823 10.373 775.151 31.200 761.646 32.159 13.50531       44.80678 
1 1 1 -3  7  20 o 812.006 22.624 140.240 7.7799 130.874 10.930  149.859 11.076 782.464 32.984 837.705 31.222 -55.24103      45.41799 
1 1 1 -3  7  21 o 1105.61 34.507 261.893 16.157 261.893 16.157  0.0000  0.0000 1105.61 34.507 ?       ?      0.000000       34.50749 
1 1 1 -3  7  22 o 335.125 22.670 24.021  3.1985 0.0000  0.0000  24.021  3.1985 ?       ?      335.125 22.670 0.000000       22.67014 
1 1 1 -3  7  23 o 308.146 18.580 20.259  2.4133 23.010  4.1878  18.891  2.9529 326.494 30.646 296.802 23.690 29.69241       38.73528 
1 1 1 -3  7  24 o 906.546 33.614 176.661 12.905 0.0000  0.0000  176.661 12.905 ?       ?      906.546 33.614 0.000000       33.61448 
1 1 1 -3  7  25 o 580.732 18.328 71.826  4.5074 71.564  7.7841  71.958  5.5286 575.406 32.072 580.418 22.492 -5.012329      39.17260 
1 1 1 -3  7  26 o 531.552 18.249 60.258  4.1081 61.036  7.1431  59.873  5.0216 530.184 31.963 528.893 22.420 1.290771       39.04218 
1 1 1 -3  7  27 f 275.729 23.271 16.430  2.6920 15.825  3.8871  16.987  3.7317 267.137 35.218 277.873 32.315 -10.73648      47.79737 
1 1 1 -3  7  28 o 413.007 23.130 36.809  4.0293 38.398  5.5850  35.083  5.8187 418.450 31.753 398.484 34.830 19.96564       47.13168 
1 1 1 -3  7  29 o 383.645 23.012 31.909  3.7215 0.0000  0.0000  31.909  3.7215 ?       ?      383.645 23.012 0.000000       23.01238 
1 1 1 -3  7  30 o 137.416 25.766 4.2367  1.4444 0.7359  2.4891  6.0139  1.7735 92.996  38.557 164.182 26.401 -71.18659      46.72947 
1 1 1 -3  7  31 o 240.396 20.227 12.583  2.0401 11.746  3.5569  12.994  2.4904 224.254 38.861 242.762 24.562 -18.50732      45.97284 
1 1 1 -3  7  32 o 274.388 20.244 16.409  2.3358 21.866  4.1097  13.805  2.8389 310.972 31.648 248.580 27.424 62.39136       41.87648 
1 1 1 -3  8  1  o 979.642 28.499 204.853 11.823 0.0000  0.0000  204.853 11.823 ?       ?      979.642 28.499 0.000000       28.49852 
1 1 1 -3  8  2  o 1046.77 28.598 233.910 12.678 0.0000  0.0000  233.910 12.678 ?       ?      1046.77 28.598 0.000000       28.59829 
1 1 1 -3  8  3  o 398.924 15.562 33.779  2.6291 0.0000  0.0000  33.779  2.6291 ?       ?      398.924 15.562 0.000000       15.56233 
1 1 1 -3  8  4  o 569.698 12.159 68.825  2.9334 71.298  3.6331  64.193  4.9721 579.636 14.801 549.346 21.372 30.28986       25.99673 
1 1 1 -3  8  5  o 657.088 14.421 91.622  4.0129 87.451  5.7109  95.689  5.6398 641.180 21.032 670.867 19.851 -29.68671      28.92084 
1 1 1 -3  8  6  o 278.264 10.466 16.415  1.2334 15.970  1.5128  17.297  2.1299 274.378 13.020 284.777 17.749 -10.39905      22.01257 
1 1 1 -3  8  7  o 414.375 11.026 36.409  1.9349 37.138  2.3219  34.753  3.5003 418.380 13.105 403.622 20.546 14.75842       24.36937 
1 1 1 -3  8  8  o 866.586 13.749 159.395 5.0457 164.716 8.4439  156.440 6.2927 879.126 22.680 857.915 17.320 21.21143       28.53733 
1 1 1 -3  8  9  o 375.533 12.187 29.924  1.9381 31.643  3.3038  29.023  2.3932 384.913 20.340 369.610 15.289 15.30298       25.44546 
1 1 1 -3  8  10 o 426.350 13.228 38.599  2.3884 35.096  4.2074  40.265  2.9012 404.388 24.686 435.195 15.742 -30.80682      29.27820 
1 1 1 -3  8  11 o 206.365 14.333 9.0942  1.2449 8.9392  2.1199  9.1758  1.5379 202.792 25.230 206.832 17.729 -4.040131      30.83625 
1 1 1 -3  8  12 o 380.741 16.788 30.856  2.7070 34.852  4.0108  27.513  3.6685 402.952 23.607 357.694 24.363 45.25748       33.92372 
1 1 1 -3  8  13 o 137.668 33.102 4.2475  1.9062 0.0000  0.0000  4.2475  1.9062 ?       ?      137.668 33.102 0.000000       33.10239 
1 1 1 -3  8  14 o 639.864 30.529 87.806  8.2726 0.0000  0.0000  87.806  8.2726 ?       ?      639.864 30.529 0.000000       30.52886 
1 1 1 -3  8  15 o 389.907 20.506 32.424  3.3740 34.006  4.5879  30.560  4.9793 398.241 27.370 376.637 31.507 21.60370       41.73485 
1 1 1 -3  8  16 o 261.733 21.178 14.655  2.3273 16.852  3.2010  12.191  3.3898 279.915 27.352 236.258 34.933 43.65718       44.36756 
1 1 1 -3  8  17 o 531.440 21.116 60.000  4.7523 62.400  6.5789  57.380  6.8724 540.444 28.849 517.737 31.494 22.70770       42.70953 
1 1 1 -3  8  18 o 784.175 22.291 130.682 7.4028 133.948 10.304  127.198 10.642 792.628 30.697 772.068 32.549 20.55945       44.74075 
1 1 1 -3  8  19 o 937.715 23.186 186.982 9.2073 186.519 12.847  187.472 13.203 934.652 32.457 936.839 33.277 -2.187683      46.48473 
1 1 1 -3  8  20 o 1191.34 34.903 303.807 17.609 303.807 17.609  0.0000  0.0000 1191.34 34.903 ?       ?      0.000000       34.90252 
1 1 1 -3  8  21 o 964.688 23.467 198.153 9.5872 192.576 13.447  203.918 13.672 948.300 33.484 975.957 33.080 -27.65747      47.06906 
1 1 1 -3  8  22 o 325.348 31.988 22.877  4.3503 0.0000  0.0000  22.877  4.3503 ?       ?      325.348 31.988 0.000000       31.98775 
1 1 1 -3  8  23 o 950.919 23.622 192.722 9.5125 201.021 13.450  184.417 13.455 968.262 32.802 926.880 34.279 41.38165       47.44431 
1 1 1 -3  8  24 o 337.084 22.951 24.345  3.2569 0.0000  0.0000  24.345  3.2569 ?       ?      337.084 22.951 0.000000       22.95150 
1 1 1 -3  8  25 o 438.787 22.675 41.250  4.1990 46.718  5.9013  35.642  5.9761 465.029 30.128 404.373 35.250 60.65524       46.37043 
1 1 1 -3  8  26 o 706.258 18.584 106.425 5.5584 101.931 9.6057  108.688 6.8153 685.572 33.085 712.438 22.589 -26.86603      40.06076 
1 1 1 -3  8  27 o 725.036 22.816 112.803 7.0056 116.062 9.9915  109.652 9.8255 730.597 32.293 709.912 32.682 20.68469       45.94492 
1 1 1 -3  8  28 o 626.306 22.964 84.412  6.0909 93.598  8.5469  74.934  8.6822 655.322 30.797 582.796 35.345 72.52618       46.87995 
1 1 1 -3  8  29 o 267.581 24.680 15.647  2.7652 0.0000  0.0000  15.647  2.7652 ?       ?      267.581 24.680 0.000000       24.68027 
1 1 1 -3  8  30 o 280.352 19.552 17.002  2.3069 20.391  4.0286  15.348  2.8139 302.108 31.974 264.354 25.449 37.75388       40.86542 
1 1 1 -3  8  31 o 281.773 19.478 17.232  2.3100 19.802  4.0178  15.963  2.8233 295.969 32.596 268.999 25.073 26.96991       41.12324 
1 1 1 -3  8  32 o 188.982 22.639 7.8924  1.7758 7.4225  3.0347  8.1370  2.1898 175.370 41.507 189.882 28.079 -14.51213      50.11271 
1 1 1 -3  9  1  o 278.138 16.801 16.486  1.9697 17.374  2.7548  15.558  2.8172 284.774 23.040 269.088 25.008 15.68530       34.00394 
1 1 1 -3  9  2  o 285.521 16.069 17.361  1.9351 16.984  2.6859  17.768  2.7904 281.586 22.717 287.996 23.073 -6.410522      32.37930 
1 1 1 -3  9  3  o 332.953 22.304 23.696  3.1267 0.0000  0.0000  23.696  3.1267 ?       ?      332.953 22.304 0.000000       22.30392 
1 1 1 -3  9  4  o 1370.66 17.132 399.026 9.9443 413.247 17.577  392.331 12.060 1390.57 29.848 1358.09 20.969 32.48169       36.47699 
1 1 1 -3  9  5  o 666.794 14.738 94.366  4.1616 0.0000  0.0000  94.366  4.1616 ?       ?      666.794 14.738 0.000000       14.73757 
1 1 1 -3  9  6  o 505.897 13.554 54.305  2.9038 53.217  4.0928  55.409  4.1205 500.264 19.319 510.493 19.060 -10.22845      27.13821 
1 1 1 -3  9  7  o 521.296 14.039 57.679  3.0994 60.101  4.2780  55.005  4.4965 531.597 19.003 508.329 20.888 23.26843       28.23820 
1 1 1 -3  9  8  o 442.738 11.587 41.580  2.1725 40.615  3.5969  42.134  2.7258 436.865 19.442 445.457 14.449 -8.591919      24.22322 
1 1 1 -3  9  9  o 325.317 10.366 22.445  1.4281 22.359  1.9956  22.536  2.0447 324.440 14.524 325.699 14.824 -1.258698      20.75359 
1 1 1 -3  9  10 o 297.889 12.768 18.843  1.6107 17.941  2.7964  19.290  1.9704 288.866 23.051 300.810 15.520 -11.94406      27.78884 
1 1 1 -3  9  11 o 328.972 15.806 23.022  2.2020 24.824  3.2850  21.551  2.9674 339.994 22.950 316.815 22.258 23.17813       31.97034 
1 1 1 -3  9  12 o 534.062 14.592 60.629  3.3003 57.884  5.6853  62.023  4.0532 519.698 25.832 539.673 17.735 -19.97437      31.33393 
1 1 1 -3  9  13 o 297.163 29.177 19.129  3.6245 0.0000  0.0000  19.129  3.6245 ?       ?      297.163 29.177 0.000000       29.17732 
1 1 1 -3  9  14 o 551.101 19.809 64.639  4.6232 63.227  6.2172  66.385  6.9148 543.865 26.993 556.025 29.471 -12.15967      39.96478 
1 1 1 -3  9  15 o 1183.95 23.652 298.499 11.859 301.256 16.246  295.353 17.351 1186.50 32.332 1173.80 34.904 12.70020       47.57780 
1 1 1 -3  9  16 o 746.785 21.310 118.529 6.7395 117.449 9.1622  119.802 9.9485 742.173 29.151 749.162 31.357 -6.988525      42.81409 
1 1 1 -3  9  17 o 1179.34 24.081 295.761 12.027 283.496 16.563  309.442 17.493 1152.22 33.943 1203.69 34.317 -51.45984      48.26759 
1 1 1 -3  9  18 o 550.377 21.157 64.354  4.9313 66.750  6.7895  61.679  7.1742 559.017 28.777 536.794 31.700 22.22308       42.81341 
1 1 1 -3  9  19 o 757.407 22.176 121.954 7.1129 121.845 9.8117  122.075 10.326 755.704 30.658 756.113 32.249 -0.4093018     44.49676 
1 1 1 -3  9  20 o 728.216 30.990 113.280 9.5572 113.280 9.5572  0.0000  0.0000 728.216 30.990 ?       ?      0.000000       30.99047 
1 1 1 -3  9  21 o 614.012 21.914 80.226  5.6984 81.339  7.9722  79.063  8.1481 616.830 30.519 607.087 31.803 9.743469       44.07793 
1 1 1 -3  9  22 o 264.386 33.195 15.209  3.6347 0.0000  0.0000  15.209  3.6347 ?       ?      264.386 33.195 0.000000       33.19469 
1 1 1 -3  9  23 o 532.561 21.858 60.399  4.9298 59.990  6.9193  60.820  7.0254 528.347 31.061 531.934 31.325 -3.586182      44.11397 
1 1 1 -3  9  24 o 702.856 32.121 106.163 9.5611 0.0000  0.0000  106.163 9.5611 ?       ?      702.856 32.121 0.000000       32.12148 
1 1 1 -3  9  25 o 358.604 22.959 27.605  3.4683 32.496  4.8283  22.390  4.9855 387.526 29.645 318.990 37.630 68.53601       47.90421 
1 1 1 -3  9  26 o 470.705 22.214 47.441  4.4280 51.580  6.2801  43.349  6.2444 487.504 30.574 445.726 33.322 41.77847       45.22292 
1 1 1 -3  9  27 o 209.826 25.011 9.6027  2.1786 8.5708  3.1704  10.526  2.9989 193.929 39.933 217.424 33.657 -23.49510      52.22499 
1 1 1 -3  9  28 f 491.158 22.978 51.942  4.7795 49.894  6.6072  54.190  6.9222 476.203 32.966 496.275 33.127 -20.07239      46.73446 
1 1 1 -3  9  29 o 197.834 27.717 8.6935  2.2584 0.0000  0.0000  8.6935  2.2584 ?       ?      197.834 27.717 0.000000       27.71723 
1 1 1 -3  9  30 o 431.026 18.954 39.978  3.4597 39.858  5.9070  40.040  4.2685 422.287 33.301 428.888 23.592 -6.600769      40.81040 
1 1 1 -3  9  31 f 124.274 27.474 3.5288  1.4075 1.5153  2.4433  4.5289  1.7219 99.431  39.270 140.422 29.874 -40.99143      49.34126 
1 1 1 -3  9  32 o 158.561 24.018 5.6172  1.5623 7.9106  2.6528  4.3994  1.9330 184.011 35.327 137.025 33.575 46.98615       48.73680 
1 1 1 -3  10 1  o 882.807 18.968 165.642 7.0915 165.499 9.9095  165.792 10.153 880.845 26.565 881.469 27.198 -0.6240845     38.01867 
1 1 1 -3  10 2  o 839.234 14.555 149.466 5.1729 143.201 8.7881  152.787 6.3990 819.625 25.318 848.041 17.818 -28.41553      30.95938 
1 1 1 -3  10 3  o 437.777 12.074 40.643  2.2385 43.408  3.7908  39.163  2.7738 451.832 19.811 429.533 15.249 22.29886       24.99993 
1 1 1 -3  10 4  o 586.098 12.259 72.856  3.0427 74.100  3.7093  70.296  5.3200 590.858 14.824 574.689 21.859 16.16937       26.41169 
1 1 1 -3  10 5  o 612.966 14.438 79.746  3.7480 78.636  5.2287  80.919  5.3753 607.988 20.307 616.709 20.581 -8.721130      28.91332 
1 1 1 -3  10 6  o 476.956 11.113 48.240  2.2446 48.475  2.7368  47.758  3.9231 477.945 13.521 473.839 19.550 4.106049       23.77061 
1 1 1 -3  10 7  o 288.488 10.756 17.649  1.3141 19.064  1.5919  14.622  2.3284 299.750 12.540 261.175 21.235 38.57507       24.66127 
1 1 1 -3  10 8  o 563.945 11.688 67.472  2.7914 68.463  3.4389  65.558  4.7795 567.799 14.302 554.800 20.342 12.99811       24.86666 
1 1 1 -3  10 9  o 180.248 11.765 6.9239  0.8931 6.7368  1.1185  7.2530  1.4837 177.422 15.027 183.524 19.383 -6.102051      24.52573 
1 1 1 -3  10 10 o 701.658 13.377 104.586 3.9750 103.350 4.9913  106.730 6.5726 696.823 16.914 706.876 21.956 -10.05316      27.71542 
1 1 1 -3  10 11 o 438.928 13.391 40.932  2.4892 43.586  4.3470  39.638  3.0363 450.923 22.838 431.538 16.614 19.38565       28.24216 
1 1 1 -3  10 12 o 260.185 17.354 14.474  1.9012 0.0000  0.0000  14.474  1.9012 ?       ?      260.185 17.354 0.000000       17.35388 
1 1 1 -3  10 13 o 150.029 18.349 4.8610  1.1415 4.9913  1.7853  4.7710  1.4847 150.077 29.141 147.490 24.639 2.587845       38.16169 
1 1 1 -3  10 14 o 374.754 19.170 29.949  3.0322 31.296  4.0496  28.229  4.5747 382.159 25.163 361.909 30.122 20.25058       39.24951 
1 1 1 -3  10 15 o 872.605 21.314 161.938 7.8764 154.661 10.668  170.661 11.679 851.049 29.598 893.661 30.859 -42.61243      42.75880 
1 1 1 -3  10 16 o 411.733 20.036 36.011  3.4935 35.749  4.7096  36.332  5.2093 408.768 27.364 411.663 30.089 -2.894135      40.67146 
1 1 1 -3  10 17 o 800.924 21.564 136.293 7.3141 133.276 9.9347  139.865 10.808 790.809 29.665 809.788 31.516 -18.97888      43.28086 
1 1 1 -3  10 18 o 876.257 22.256 163.191 8.2591 161.677 11.269  164.948 12.140 870.750 30.560 879.088 32.608 -8.338074      44.69011 
1 1 1 -3  10 19 o 1134.87 23.991 274.021 11.530 266.356 15.886  282.553 16.761 1116.32 33.604 1149.49 34.431 -33.17371      48.11174 
1 1 1 -3  10 20 o 940.899 31.842 189.257 12.688 189.257 12.688  0.0000  0.0000 940.899 31.842 ?       ?      0.000000       31.84165 
1 1 1 -3  10 21 o 480.916 31.725 49.701  6.4248 0.0000  0.0000  49.701  6.4248 ?       ?      480.916 31.725 0.000000       31.72462 
1 1 1 -3  10 22 o 462.906 21.814 45.618  4.2763 45.548  5.9921  45.690  6.1048 460.306 30.918 460.907 31.464 -0.6007996     44.11271 
1 1 1 -3  10 23 o 310.595 22.470 20.659  2.9356 23.674  4.1391  17.607  4.1642 331.267 29.824 284.099 35.378 47.16779       46.27157 
1 1 1 -3  10 24 o 268.231 33.544 15.720  3.7270 0.0000  0.0000  15.720  3.7270 ?       ?      268.231 33.544 0.000000       33.54365 
1 1 1 -3  10 25 o 458.076 21.989 44.846  4.2657 40.460  5.9750  49.405  6.0918 431.449 32.951 477.925 30.254 -46.47556      44.73331 
1 1 1 -3  10 26 o 390.667 22.466 32.803  3.7012 35.124  5.2464  30.503  5.2223 401.638 31.087 373.330 33.383 28.30835       45.61633 
1 1 1 -3  10 27 o 307.453 18.885 20.282  2.4470 21.931  4.2087  19.440  3.0076 316.049 31.881 299.793 23.888 16.25650       39.83718 
1 1 1 -3  10 28 o 498.869 22.566 53.591  4.7674 58.974  6.6870  48.026  6.7986 518.916 30.564 465.856 34.710 53.06064       46.24894 
1 1 1 -3  10 29 o 161.052 30.487 5.8715  2.0032 0.0000  0.0000  5.8715  2.0032 ?       ?      161.052 30.487 0.000000       30.48677 
1 1 1 -3  10 30 o 339.012 19.302 24.832  2.7597 31.576  4.7297  21.350  3.3982 377.420 29.835 311.720 25.978 65.70038       39.55972 
1 1 1 -3  10 31 f 441.603 18.710 42.112  3.4991 43.768  5.9727  41.247  4.3177 440.901 32.211 433.989 23.581 6.911926       39.91985 
1 1 1 -3  10 32 o 490.336 18.861 52.004  3.9166 52.214  6.6729  51.894  4.8375 480.096 33.021 487.023 23.455 -6.926788      40.50301 
1 1 1 -3  11 1  o 646.290 17.439 88.738  4.7731 96.298  6.6615  80.763  6.8424 672.365 23.395 615.272 26.260 57.09290       35.17001 
1 1 1 -3  11 2  o 599.008 13.266 76.123  3.3652 77.380  5.6846  75.445  4.1754 602.878 22.265 596.016 16.542 6.862915       27.73773 
1 1 1 -3  11 3  o 229.027 11.731 11.153  1.1340 10.959  1.9253  11.256  1.4032 226.076 20.327 229.838 14.491 -3.762283      24.96367 
1 1 1 -3  11 4  o 688.602 15.354 100.674 4.4776 101.593 6.2114  99.681  6.4603 690.888 21.230 684.178 22.297 6.710938       30.78700 
1 1 1 -3  11 5  o 524.347 9.9029 58.285  2.1990 56.380  3.1028  60.207  3.1169 515.388 14.216 532.630 13.818 -17.24158      19.82529 
1 1 1 -3  11 6  o 476.914 11.142 48.236  2.2503 48.637  2.7472  47.420  3.9232 478.709 13.551 472.085 19.623 6.623444       23.84764 
1 1 1 -3  11 7  o 381.554 18.824 30.976  3.0416 30.976  3.0416  0.0000  0.0000 381.554 18.824 ?       ?      0.000000       18.82369 
1 1 1 -3  11 8  o 366.844 11.061 28.548  1.7184 28.599  2.1067  28.447  2.9703 367.002 13.555 365.001 19.285 2.000793       23.57174 
1 1 1 -3  11 9  o 569.472 11.993 68.838  2.8923 69.695  3.6000  67.277  4.8574 572.633 14.845 561.670 20.421 10.96222       25.24666 
1 1 1 -3  11 10 o 384.922 12.617 31.466  2.0568 29.722  3.6088  32.305  2.5031 372.141 23.012 389.765 15.165 -17.62411      27.55908 
1 1 1 -3  11 11 o 254.720 16.126 13.861  1.7306 0.0000  0.0000  13.861  1.7306 ?       ?      254.720 16.126 0.000000       16.12643 
1 1 1 -3  11 12 o 393.178 13.647 32.839  2.2723 35.131  3.9510  31.707  2.7777 404.799 23.143 385.996 16.992 18.80334       28.71161 
1 1 1 -3  11 13 o 434.242 14.630 40.052  2.6903 42.579  4.5573  38.700  3.3331 445.888 24.225 426.462 18.456 19.42603       30.45452 
1 1 1 -3  11 14 o 253.295 15.511 13.674  1.6558 14.624  2.6726  13.081  2.1095 260.778 24.487 247.143 20.335 13.63512       31.83017 
1 1 1 -3  11 15 o 354.298 19.389 26.750  2.8982 28.831  3.8657  24.080  4.3795 367.105 25.014 334.305 31.298 32.79953       40.06611 
1 1 1 -3  11 16 o 1037.79 22.335 228.936 9.8162 221.197 13.336  238.088 14.502 1018.30 30.925 1056.08 32.425 -37.77826      44.80724 
1 1 1 -3  11 17 o 973.058 22.246 201.216 9.1673 198.068 12.454  204.939 13.543 963.884 30.511 979.982 32.633 -16.09772      44.67456 
1 1 1 -3  11 18 o 911.868 22.227 176.741 8.5833 175.015 11.672  178.774 12.666 905.896 30.425 915.070 32.685 -9.174316      44.65366 
1 1 1 -3  11 19 o 494.728 20.940 52.021  4.3872 51.522  5.9357  52.623  6.5133 490.719 28.687 495.492 31.199 -4.772736      42.38326 
1 1 1 -3  11 20 o 850.573 30.609 154.598 11.026 154.598 11.026  0.0000  0.0000 850.573 30.609 ?       ?      0.000000       30.60886 
1 1 1 -3  11 21 o 799.952 32.838 137.082 11.125 0.0000  0.0000  137.082 11.125 ?       ?      799.952 32.838 0.000000       32.83829 
1 1 1 -3  11 22 o 288.676 22.760 17.859  2.7599 16.403  3.7309  19.618  4.1015 274.776 32.705 300.830 32.722 -26.05389      46.26377 
1 1 1 -3  11 23 f 686.924 30.670 101.105 8.9220 101.105 8.9220  0.0000  0.0000 686.924 30.670 ?       ?      0.000000       30.66984 
1 1 1 -3  11 24 o 328.214 22.148 23.089  3.0605 21.233  4.2498  25.089  4.4112 312.441 32.598 340.311 30.947 -27.86932      44.94824 
1 1 1 -3  11 25 o 937.411 23.581 188.146 9.3611 183.613 13.072  192.918 13.412 920.877 33.519 943.901 33.552 -23.02484      47.42668 
1 1 1 -3  11 26 o 185.519 26.097 7.5448  1.9936 6.6157  2.8193  8.4740  2.8195 170.293 39.807 194.307 35.576 -24.01390      53.38770 
1 1 1 -3  11 27 o 165.512 22.603 5.9868  1.5429 5.3359  2.6385  6.3249  1.9020 152.591 40.251 169.022 27.518 -16.43106      48.75842 
1 1 1 -3  11 28 o 226.758 25.170 11.254  2.3763 10.798  3.1898  11.823  3.5620 218.572 35.693 227.930 38.257 -9.358185      52.32222 
1 1 1 -3  11 29 o 138.064 33.668 4.3887  1.9509 0.0000  0.0000  4.3887  1.9509 ?       ?      138.064 33.668 0.000000       33.66830 
1 1 1 -3  11 30 o 396.922 18.864 33.927  3.1709 32.775  5.3676  34.545  3.9299 382.071 33.512 398.094 23.413 -16.02261      40.88104 
1 1 1 -3  11 31 o 92.715  28.735 1.9145  1.2449 1.7384  2.0053  2.0250  1.5881 96.799  36.248 96.990  32.661 -0.1908340     48.79253 
1 1 1 -3  11 32 o 252.129 20.707 13.897  2.1915 15.036  3.6651  13.262  2.7340 255.426 34.788 243.656 26.947 11.76906       44.00375 
1 1 1 -3  12 1  o 426.027 13.126 38.508  2.3681 42.001  4.0615  36.709  2.9148 444.178 21.592 415.711 16.557 28.46701       27.20897 
1 1 1 -3  12 2  o 491.211 12.670 51.187  2.6357 51.007  4.4464  51.284  3.2726 489.499 21.449 491.431 15.725 -1.932343      26.59573 
1 1 1 -3  12 3  o 214.508 10.261 9.7552  0.9322 10.103  1.3217  9.4107  1.3150 217.696 14.417 210.019 14.881 7.676331       20.71964 
1 1 1 -3  12 4  o 117.224 15.852 2.9713  0.7667 3.8569  1.0807  2.0736  1.0880 133.223 19.754 96.912  25.980 36.31155       32.63665 
1 1 1 -3  12 5  o 897.233 16.401 171.043 6.2317 174.044 8.7239  167.916 8.9048 903.637 22.797 887.352 23.696 16.28448       32.88184 
1 1 1 -3  12 6  o 323.182 10.843 22.151  1.4841 20.719  2.5752  22.863  1.8159 311.389 19.629 328.218 13.064 -16.82855      23.57915 
1 1 1 -3  12 7  o 398.309 19.412 33.780  3.2744 0.0000  0.0000  33.780  3.2744 ?       ?      398.309 19.412 0.000000       19.41168 
1 1 1 -3  12 8  o 73.076  16.251 1.1802  0.4899 0.6921  0.8677  1.4086  0.5936 64.566  23.910 79.785  17.997 -15.21954      29.92608 
1 1 1 -3  12 9  o 349.627 11.932 25.951  1.7667 24.938  3.0442  26.466  2.1694 341.140 21.176 352.854 14.518 -11.71390      25.67511 
1 1 1 -3  12 10 o 238.799 12.960 12.149  1.3058 13.260  2.2961  11.617  1.5874 248.145 22.080 233.099 16.181 15.04581       27.37466 
1 1 1 -3  12 11 o 249.479 12.887 13.254  1.3568 14.421  2.3123  12.641  1.6757 259.046 21.265 243.196 16.365 15.85016       26.83335 
1 1 1 -3  12 12 o 344.060 13.428 25.140  1.9566 28.316  3.4218  23.598  2.3850 363.523 22.335 332.614 16.988 30.90891       28.06170 
1 1 1 -3  12 13 o 437.966 14.149 40.727  2.6243 46.250  4.5056  37.891  3.2284 465.697 22.846 422.082 18.061 43.61496       29.12279 
1 1 1 -3  12 14 o 485.458 14.984 50.023  3.0804 49.446  5.1860  50.338  3.8292 480.875 25.557 486.667 18.579 -5.791321      31.59697 
1 1 1 -3  12 15 f 842.158 20.639 150.734 7.3606 150.212 9.9243  151.373 10.974 839.410 27.918 842.035 30.774 -2.625488      41.55020 
1 1 1 -3  12 16 o 651.596 20.029 90.177  5.5269 91.320  7.4092  88.743  8.2985 654.935 26.713 645.118 30.375 9.816895       40.45064 
1 1 1 -3  12 17 o 586.547 20.150 73.069  5.0051 70.155  6.7145  76.713  7.5085 573.969 27.624 599.951 29.553 -25.98175      40.45262 
1 1 1 -3  12 18 o 1008.01 22.522 216.025 9.6142 217.593 13.064  214.173 14.199 1009.95 30.545 1001.23 33.488 8.717957       45.32638 
1 1 1 -3  12 19 o 1066.26 31.688 242.891 14.309 242.891 14.309  0.0000  0.0000 1066.26 31.688 ?       ?      0.000000       31.68796 
1 1 1 -3  12 20 o 979.457 22.832 204.204 9.4704 207.979 12.914  199.813 13.931 986.317 30.916 965.773 34.061 20.54364       45.99924 
1 1 1 -3  12 21 o 440.823 31.955 41.824  5.9251 0.0000  0.0000  41.824  5.9251 ?       ?      440.823 31.955 0.000000       31.95535 
1 1 1 -3  12 22 o 691.611 21.884 101.852 6.4095 99.954  8.7241  104.079 9.4480 683.424 30.143 696.915 32.012 -13.49036      43.97034 
1 1 1 -3  12 23 o 154.218 35.603 5.3198  2.2782 5.3198  2.2782  0.0000  0.0000 154.218 35.603 ?       ?      0.000000       35.60323 
1 1 1 -3  12 24 o 402.869 21.894 34.741  3.7214 36.703  5.1273  32.557  5.4096 412.334 29.559 387.203 33.315 25.13077       44.53769 
1 1 1 -3  12 25 o 879.022 23.161 165.447 8.6220 166.545 11.927  164.246 12.479 877.464 32.096 870.353 33.855 7.111206       46.65137 
1 1 1 -3  12 26 o 521.096 21.973 58.190  4.8490 61.084  6.7403  55.085  6.9810 530.333 30.136 502.275 33.003 28.05856       44.69207 
1 1 1 -3  12 27 o 970.954 33.541 206.090 13.792 206.090 13.792  0.0000  0.0000 970.954 33.541 ?       ?      0.000000       33.54105 
1 1 1 -3  12 28 o 243.938 20.064 12.867  2.0544 13.962  3.3529  12.209  2.5995 250.208 32.404 235.757 26.495 14.45024       41.85691 
1 1 1 -3  12 29 o 162.872 31.610 6.0358  2.1016 0.0000  0.0000  6.0358  2.1016 ?       ?      162.872 31.610 0.000000       31.60984 
1 1 1 -3  12 30 o 137.960 26.274 4.2937  1.4790 7.0614  2.3326  2.4327  1.9126 175.633 32.560 106.249 35.844 69.38328       48.42413 
1 1 1 -3  12 31 o 160.816 24.572 5.7867  1.6203 6.3996  2.6043  5.3996  2.0697 163.979 38.210 152.239 33.050 11.74023       50.52020 
1 1 1 -3  12 32 o 128.288 26.625 3.7568  1.3991 4.8819  2.2095  3.0037  1.8078 143.482 36.327 114.042 34.493 29.43933       50.09419 
1 1 1 -3  13 1  o 370.446 12.898 29.118  2.0234 29.762  3.4162  28.769  2.5113 373.199 21.709 368.013 16.113 5.185242       27.03563 
1 1 1 -3  13 2  o 313.120 10.568 20.789  1.4014 19.805  1.9760  21.785  1.9878 305.003 15.347 320.328 14.653 -15.32471      21.21893 
1 1 1 -3  13 3  o 226.102 10.107 10.839  0.9678 10.297  1.3704  11.377  1.3669 219.725 14.814 231.091 14.034 -11.36618      20.40593 
1 1 1 -3  13 4  o 306.774 13.828 19.977  1.7965 20.006  2.4804  19.945  2.6054 306.047 19.236 305.432 20.258 0.6144714      27.93520 
1 1 1 -3  13 5  o 244.229 9.5192 12.646  0.9846 12.528  1.3882  12.765  1.3965 242.553 13.569 244.856 13.520 -2.302521      19.15534 
1 1 1 -3  13 6  o 151.013 10.103 4.8576  0.6424 4.5052  0.8922  5.2370  0.9257 144.890 14.746 156.405 14.128 -11.51480      20.42229 
1 1 1 -3  13 7  o 199.646 13.704 8.5047  1.1517 8.5051  1.6187  8.5042  1.6388 198.882 19.469 198.831 19.723 0.5104065E-01  27.71365 
1 1 1 -3  13 8  o 215.005 9.9481 9.8057  0.9058 10.196  1.2628  9.3918  1.3000 218.647 13.707 209.689 14.733 8.957626       20.12327 
1 1 1 -3  13 9  o 463.222 10.360 45.527  2.0323 44.012  2.8150  47.176  2.9369 454.996 14.609 471.050 14.723 -16.05383      20.74094 
1 1 1 -3  13 10 o 701.023 11.539 104.327 3.4257 104.271 4.8007  104.385 4.8899 699.961 16.195 700.281 16.489 -0.3193970     23.11193 
1 1 1 -3  13 11 o 217.492 12.946 10.081  1.1870 11.021  2.0218  9.5871  1.4664 226.243 21.354 211.636 16.491 14.60732       26.98088 
1 1 1 -3  13 12 o 227.227 14.652 11.014  1.4024 11.249  2.3405  10.883  1.7517 228.139 24.615 225.359 18.519 2.780151       30.80337 
1 1 1 -3  13 13 o 932.802 15.941 184.832 6.2972 183.523 10.856  185.495 7.7306 926.532 27.668 933.726 19.550 -7.194336      33.87807 
1 1 1 -3  13 14 o 625.716 18.884 83.200  5.0040 80.001  6.7681  87.058  7.4317 612.572 26.089 638.784 27.472 -26.21167      37.88632 
1 1 1 -3  13 15 o 450.790 15.145 43.112  2.8913 39.959  4.8075  44.898  3.6189 432.362 26.382 459.813 18.585 -27.45074      32.27081 
1 1 1 -3  13 16 o 1007.48 21.691 215.689 9.2545 207.394 12.513  225.704 13.749 986.330 29.958 1028.56 31.565 -42.23566      43.51795 
1 1 1 -3  13 17 o 412.086 19.426 36.061  3.3902 33.558  4.5156  39.294  5.1322 396.084 27.083 428.532 28.442 -32.44766      39.27351 
1 1 1 -3  13 18 o 825.087 21.288 144.689 7.4383 142.751 10.023  147.064 11.097 818.255 28.925 829.978 31.572 -11.72302      42.81883 
1 1 1 -3  13 19 o 833.085 29.233 148.126 10.313 148.126 10.313  0.0000  0.0000 833.085 29.233 ?       ?      0.000000       29.23265 
1 1 1 -3  13 20 o 420.835 31.426 38.091  5.5603 0.0000  0.0000  38.091  5.5603 ?       ?      420.835 31.426 0.000000       31.42570 
1 1 1 -3  13 21 o 618.402 21.289 81.393  5.5754 78.614  7.5201  84.786  8.3084 606.365 29.285 629.316 31.175 -22.95093      42.77263 
1 1 1 -3  13 22 o 390.832 21.500 32.620  3.5448 32.521  4.7702  32.744  5.2975 388.852 29.180 389.494 32.411 -0.6421814     43.61094 
1 1 1 -3  13 23 o 82.477  32.860 0.7601  1.7247 0.7601  1.7247  0.0000  0.0000 82.477  32.860 ?       ?      0.000000       32.86039 
1 1 1 -3  13 24 o 749.522 22.224 119.991 7.0543 107.633 9.5296  134.971 10.492 706.672 31.843 791.580 31.299 -84.90790      44.64977 
1 1 1 -3  13 25 o 505.571 21.729 54.683  4.6523 51.182  6.3498  58.740  6.8356 485.614 31.039 520.310 31.165 -34.69571      43.98510 
1 1 1 -3  13 26 o 363.713 22.204 28.469  3.4037 27.661  4.6655  29.388  4.9766 355.696 31.291 366.295 32.417 -10.59897      45.05525 
1 1 1 -3  13 27 o 609.101 31.047 81.022  7.9820 81.022  7.9820  0.0000  0.0000 609.101 31.047 ?       ?      0.000000       31.04731 
1 1 1 -3  13 28 o 600.629 22.340 77.851  5.6824 73.302  7.7811  83.050  8.3179 576.365 32.005 613.496 32.127 -37.13153      45.34822 
1 1 1 -3  13 29 o 186.578 41.844 8.2084  3.2247 0.0000  0.0000  8.2084  3.2247 ?       ?      186.578 41.844 0.000000       41.84374 
1 1 1 -3  13 30 o 242.546 20.630 12.817  2.0989 14.000  3.4263  12.107  2.6554 248.192 33.450 233.204 27.410 14.98839       43.24650 
1 1 1 -3  13 31 o 378.691 19.104 31.111  3.0539 33.655  5.0926  29.682  3.8163 386.248 31.405 366.939 24.702 19.30905       39.95617 
1 1 1 -3  14 1  o 376.604 12.711 30.097  2.0272 34.627  3.4298  27.664  2.5132 403.304 20.082 360.803 16.448 42.50092       25.95786 
1 1 1 -3  14 2  o 373.213 10.528 29.537  1.6640 28.565  2.3591  30.500  2.3475 366.724 15.190 378.986 14.627 -12.26236      21.08745 
1 1 1 -3  14 3  o 205.548 10.270 8.9591  0.8940 8.3370  1.2691  9.5720  1.2595 197.523 15.290 211.859 14.119 -14.33623      20.81226 
1 1 1 -3  14 4  o 428.937 14.039 39.067  2.5501 39.449  3.5450  38.657  3.6712 430.480 19.445 426.030 20.348 4.449860       28.14539 
1 1 1 -3  14 5  o 159.439 10.162 5.4128  0.6825 4.8349  0.9697  5.9803  0.9609 150.049 15.483 167.268 13.685 -17.21835      20.66346 
1 1 1 -3  14 6  o 487.721 9.8020 50.445  2.0246 51.628  2.8552  49.250  2.8712 493.048 13.674 481.512 14.080 11.53546       19.62745 
1 1 1 -3  14 7  o 328.267 11.048 22.866  1.5359 23.261  2.6347  22.663  1.8904 329.876 18.939 326.620 13.667 3.256744       23.35544 
1 1 1 -3  14 8  f 713.608 10.922 108.071 3.3007 103.480 4.6054  112.919 4.7331 697.477 15.592 728.648 15.338 -31.17078      21.87160 
1 1 1 -3  14 9  o 226.113 10.207 10.848  0.9774 11.570  1.3598  10.076  1.4057 232.913 13.849 217.106 15.389 15.80617       20.70292 
1 1 1 -3  14 10 o 417.432 10.628 36.975  1.8788 36.297  2.6219  37.690  2.6934 413.155 14.985 420.998 15.107 -7.842712      21.27871 
1 1 1 -3  14 11 o 379.018 11.159 30.483  1.7911 30.002  2.4887  31.000  2.5797 375.629 15.645 381.795 15.955 -6.165497      22.34543 
1 1 1 -3  14 12 o 1138.37 16.558 275.484 7.9824 274.268 13.629  276.120 9.8483 1131.51 28.443 1138.51 20.426 -6.999634      35.01708 
1 1 1 -3  14 13 o 772.165 18.871 126.772 6.1709 126.922 8.4015  126.596 9.0935 771.263 25.722 769.755 27.896 1.508057       37.94481 
1 1 1 -3  14 14 o 572.021 14.754 69.427  3.5742 67.234  6.0917  70.578  4.4137 561.759 25.606 576.449 18.080 -14.68982      31.34588 
1 1 1 -3  14 15 o 495.757 15.134 52.138  3.1774 50.355  5.2842  53.147  3.9766 485.688 25.783 500.284 18.770 -14.59695      31.89160 
1 1 1 -3  14 16 o 1663.88 21.500 588.263 15.150 578.327 25.832  593.472 18.704 1644.13 37.100 1669.74 26.451 -25.61377      45.56417 
1 1 1 -3  14 17 o 187.307 21.207 7.5495  1.6525 7.3849  2.1817  7.7710  2.5310 183.964 28.961 188.087 32.978 -4.122620      43.89005 
1 1 1 -3  14 18 o 393.893 26.422 33.196  4.3819 33.196  4.3819  0.0000  0.0000 393.893 26.422 ?       ?      0.000000       26.42159 
1 1 1 -3  14 19 o 476.221 20.122 48.209  4.0581 49.777  5.4193  46.208  6.1230 482.475 26.626 463.910 31.351 18.56549       41.13179 
1 1 1 -3  14 20 o 789.639 32.047 133.492 10.717 0.0000  0.0000  133.492 10.717 ?       ?      789.639 32.047 0.000000       32.04737 
1 1 1 -3  14 21 o 684.383 21.321 99.702  6.1794 102.238 8.3052  96.556  9.2488 691.637 28.355 671.158 32.540 20.47827       43.16065 
1 1 1 -3  14 22 o 798.414 22.040 135.793 7.4522 140.074 10.082  130.635 11.065 809.012 29.427 780.057 33.494 28.95551       44.58435 
1 1 1 -3  14 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  14 24 o 961.028 23.116 197.516 9.4081 192.757 12.774  203.159 13.908 945.154 31.914 969.165 33.887 -24.01099      46.54930 
1 1 1 -3  14 25 f 298.012 22.716 19.134  2.8453 18.195  3.7345  20.434  4.3927 288.401 31.067 304.679 34.661 -16.27786      46.54666 
1 1 1 -3  14 26 o 629.608 22.056 85.028  5.8809 74.639  7.9228  97.777  8.7762 584.900 32.108 671.037 30.883 -86.13745      44.55000 
1 1 1 -3  14 27 o 260.224 32.376 15.014  3.4908 15.014  3.4908  0.0000  0.0000 260.224 32.376 ?       ?      0.000000       32.37587 
1 1 1 -3  14 28 o 387.940 33.679 33.532  5.4781 0.0000  0.0000  33.532  5.4781 ?       ?      387.940 33.679 0.000000       33.67881 
1 1 1 -3  14 29 o 209.775 25.683 9.7252  2.2340 10.063  3.0085  9.3103  3.3354 209.847 35.093 199.221 40.903 10.62619       53.89438 
1 1 1 -3  14 30 o 127.709 32.052 3.7811  1.7308 4.2743  2.2407  3.0514  2.7252 134.791 37.750 119.647 42.648 15.14437       56.95566 
1 1 1 -3  14 31 o 174.191 23.067 6.7387  1.6598 4.7163  2.5128  8.3041  2.2107 140.217 40.223 191.706 28.061 -51.48892      49.04403 
1 1 1 -3  15 1  o 70.970  18.650 1.1108  0.5679 0.0593  0.9426  1.7098  0.7115 55.503  23.417 87.900  19.611 -32.39668      30.54437 
1 1 1 -3  15 2  o 113.441 12.445 2.7638  0.5881 2.9549  0.8371  2.5776  0.8263 116.594 17.493 108.544 18.648 8.050652       25.56878 
1 1 1 -3  15 3  o 286.601 10.032 17.419  1.2177 19.384  1.7323  15.500  1.7119 302.148 13.538 269.682 15.050 32.46564       20.24281 
1 1 1 -3  15 4  o 286.061 13.914 17.379  1.6856 19.011  2.3651  15.696  2.4029 298.233 18.823 270.512 21.143 27.72095       28.30805 
1 1 1 -3  15 5  o 640.046 10.438 86.898  2.8293 89.364  3.9869  84.396  4.0157 648.525 14.517 630.161 15.047 18.36334       20.90836 
1 1 1 -3  15 6  o 376.793 9.6122 30.111  1.5338 28.647  2.1545  31.615  2.1840 367.200 13.855 385.795 13.368 -18.59534      19.25249 
1 1 1 -3  15 7  o 236.880 11.371 11.910  1.1407 13.256  1.9613  11.222  1.4023 248.691 18.761 229.306 14.516 19.38525       23.72079 
1 1 1 -3  15 8  o 458.907 10.015 44.679  1.9463 43.934  2.7061  45.478  2.8012 454.635 14.055 462.522 14.301 -7.887421      20.05161 
1 1 1 -3  15 9  o 520.817 10.502 57.559  2.3163 53.336  3.1995  62.210  3.3577 500.778 15.087 540.903 14.658 -40.12482      21.03519 
1 1 1 -3  15 10 o 377.971 10.636 30.312  1.7024 29.621  2.3533  31.071  2.4659 373.272 14.887 382.262 15.232 -8.990021      21.29893 
1 1 1 -3  15 11 o 435.764 13.196 40.319  2.4353 39.806  2.8901  41.576  4.5226 432.727 15.771 440.401 24.344 -7.674194      29.00570 
1 1 1 -3  15 12 o 301.392 16.665 19.363  2.1188 20.075  2.8406  18.470  3.1812 306.150 22.058 292.938 25.910 13.21255       34.02764 
1 1 1 -3  15 13 o 345.295 14.293 25.301  2.0901 27.491  3.4505  24.032  2.6269 358.605 22.840 335.767 18.546 22.83859       29.42096 
1 1 1 -3  15 14 o 292.270 14.358 18.121  1.7771 19.997  2.9848  17.091  2.2119 305.706 23.229 283.066 18.554 22.63925       29.72935 
1 1 1 -3  15 15 o 346.656 14.748 25.489  2.1651 25.818  3.6271  25.307  2.6985 347.473 24.812 344.750 18.551 2.722992       30.98060 
1 1 1 -3  15 16 o 209.263 16.994 9.3540  1.4930 8.3014  2.3447  10.072  1.9364 195.248 29.257 216.676 21.381 -21.42778      36.23743 
1 1 1 -3  15 17 o 805.741 16.610 137.777 5.6677 128.788 9.4396  142.844 7.0873 777.295 28.676 819.957 20.410 -42.66156      35.19807 
1 1 1 -3  15 18 o 1007.97 29.831 216.851 12.734 216.851 12.734  0.0000  0.0000 1007.97 29.831 ?       ?      0.000000       29.83099 
1 1 1 -3  15 19 o 893.275 32.239 170.742 12.196 0.0000  0.0000  170.742 12.196 ?       ?      893.275 32.239 0.000000       32.23907 
1 1 1 -3  15 20 o 422.692 20.261 38.006  3.6268 35.475  4.8042  41.359  5.5301 406.582 28.074 438.775 29.940 -32.19278      41.04292 
1 1 1 -3  15 21 o 378.998 20.708 30.660  3.3111 31.984  4.3943  28.920  5.0362 386.056 27.049 365.811 32.859 20.24490       42.56020 
1 1 1 -3  15 22 o 638.377 21.262 86.794  5.7482 86.522  7.7048  87.136  8.6325 635.885 28.611 636.494 32.130 -0.6093750     43.02243 
1 1 1 -3  15 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  15 24 o 608.112 21.518 79.025  5.5415 74.639  7.4272  84.532  8.3229 587.774 29.937 624.927 31.551 -37.15375      43.49350 
1 1 1 -3  15 25 o 459.478 21.548 45.203  4.1930 48.869  5.6305  40.640  6.2825 475.123 28.108 430.609 34.747 44.51462       44.69243 
1 1 1 -3  15 26 o 543.860 21.779 63.453  5.0162 55.897  6.7073  73.042  7.5563 506.016 31.455 578.951 30.931 -72.93594      44.11554 
1 1 1 -3  15 27 o 381.484 30.242 31.930  4.8457 31.930  4.8457  0.0000  0.0000 381.484 30.242 ?       ?      0.000000       30.24168 
1 1 1 -3  15 28 o 471.595 33.997 49.597  6.7441 0.0000  0.0000  49.597  6.7441 ?       ?      471.595 33.997 0.000000       33.99651 
1 1 1 -3  15 29 f 343.363 22.880 25.680  3.3079 28.721  4.4565  21.950  4.9364 359.975 29.492 309.542 38.488 50.43274       48.48814 
1 1 1 -3  15 30 o 224.304 25.327 11.164  2.3637 10.804  3.1596  11.621  3.5620 215.910 35.810 222.247 39.283 -6.336212      53.15510 
1 1 1 -3  15 31 o 278.694 23.574 17.128  2.7562 17.564  3.6846  16.576  4.1529 277.789 31.899 266.082 37.928 11.70718       49.55894 
1 1 1 -3  16 1  o 195.944 11.400 8.1743  0.9419 7.6196  1.3247  8.7413  1.3394 188.533 16.767 202.168 15.769 -13.63492      23.01682 
1 1 1 -3  16 2  o 219.101 10.796 10.184  1.0018 10.645  1.3812  9.6731  1.4551 223.343 14.685 212.663 16.280 10.67964       21.92508 
1 1 1 -3  16 3  o 96.768  13.551 2.0273  0.5401 2.0783  0.7316  1.9662  0.8007 97.213  18.445 94.220  20.638 2.992477       27.67978 
1 1 1 -3  16 4  o 285.919 11.310 17.348  1.3695 17.488  2.3288  17.274  1.6932 285.823 19.353 285.141 14.022 0.6815796      23.89931 
1 1 1 -3  16 5  o 426.491 9.8336 38.583  1.7761 38.427  2.4902  38.744  2.5340 425.264 13.827 426.993 14.013 -1.729431      19.68635 
1 1 1 -3  16 6  f 396.560 9.7926 33.360  1.6446 31.216  2.2853  35.663  2.3685 383.232 14.081 409.665 13.652 -26.43323      19.61264 
1 1 1 -3  16 7  o 192.742 12.628 7.9243  1.0251 6.4642  1.6815  8.7878  1.2931 172.225 23.681 202.703 15.174 -30.47835      28.12561 
1 1 1 -3  16 8  o 337.886 9.9388 24.222  1.4222 21.998  1.9751  26.617  2.0495 321.642 14.500 353.887 13.675 -32.24475      19.93134 
1 1 1 -3  16 9  o 652.693 12.740 90.479  3.5215 91.665  4.2157  87.741  6.4058 656.543 15.162 640.382 23.620 16.16089       28.06807 
1 1 1 -3  16 10 o 403.646 12.707 34.594  2.1722 33.718  2.5798  36.729  4.0262 398.255 15.296 413.992 23.056 -15.73740      27.66884 
1 1 1 -3  16 11 o 644.594 13.796 88.226  3.7661 86.598  4.4866  92.109  6.9291 638.222 16.600 656.564 24.920 -18.34241      29.94290 
1 1 1 -3  16 12 o 356.269 13.476 26.935  2.0333 25.012  3.3126  28.097  2.5755 341.848 23.016 363.661 16.723 -21.81299      28.45014 
1 1 1 -3  16 13 o 694.552 14.458 102.357 4.2528 97.444  7.1266  105.074 5.2998 676.316 24.882 703.337 17.793 -27.02094      30.58967 
1 1 1 -3  16 14 o 796.344 15.175 134.542 5.1176 139.610 8.7666  131.922 6.3030 809.764 25.564 788.133 18.885 21.63043       31.78277 
1 1 1 -3  16 15 o 304.182 14.977 19.626  1.9294 19.147  3.1806  19.905  2.4268 298.905 25.366 305.603 18.843 -6.698761      31.59935 
1 1 1 -3  16 16 o 932.091 16.671 184.365 6.5804 178.063 11.122  187.760 8.1624 914.059 28.732 940.107 20.502 -26.04840      35.29675 
1 1 1 -3  16 17 o 805.254 19.667 137.752 6.7069 139.359 9.3942  136.083 9.5786 808.688 27.431 798.962 28.309 9.725891       39.41903 
1 1 1 -3  16 18 o 909.927 17.191 175.807 6.6245 184.207 11.057  171.104 8.2739 929.252 28.097 896.918 21.783 32.33447       35.55202 
1 1 1 -3  16 19 f 780.256 31.315 130.246 10.347 0.0000  0.0000  130.246 10.347 ?       ?      780.256 31.315 0.000000       31.31476 
1 1 1 -3  16 20 o 308.184 20.810 20.302  2.7001 17.321  3.5854  24.208  4.1039 282.927 30.401 335.241 29.198 -52.31421      42.15111 
1 1 1 -3  16 21 o 534.641 20.464 60.834  4.6333 63.256  6.1968  57.763  6.9776 544.178 26.889 518.139 31.955 26.03882       41.76308 
1 1 1 -3  16 22 o 776.404 21.486 128.438 7.0646 125.544 9.4693  132.070 10.609 765.597 29.206 784.366 31.939 -18.76849      43.27922 
1 1 1 -3  16 23 o 390.955 32.255 33.142  5.2927 0.0000  0.0000  33.142  5.2927 ?       ?      390.955 32.255 0.000000       32.25549 
1 1 1 -3  16 24 o 364.414 21.539 28.491  3.3093 28.616  4.3650  28.321  5.0749 363.431 28.592 359.973 33.682 3.457367       44.18102 
1 1 1 -3  16 25 o 293.975 22.322 18.632  2.7582 14.954  3.5977  23.876  4.2959 260.154 33.429 330.445 31.062 -70.29111      45.63286 
1 1 1 -3  16 26 o 547.547 29.613 65.265  6.8412 65.265  6.8412  0.0000  0.0000 547.547 29.613 ?       ?      0.000000       29.61333 
1 1 1 -3  16 27 o 651.578 22.136 91.464  6.1083 91.133  8.1820  91.881  9.1808 645.844 29.915 645.031 33.726 0.8128662      45.08174 
1 1 1 -3  16 28 o 411.494 34.067 37.893  5.8832 0.0000  0.0000  37.893  5.8832 ?       ?      411.494 34.067 0.000000       34.06659 
1 1 1 -3  16 29 o 316.448 23.109 21.861  3.0755 24.444  4.1027  18.549  4.6466 331.654 29.519 283.112 39.859 48.54156       49.59998 
1 1 1 -3  16 30 o 276.931 23.782 16.893  2.7620 13.992  3.6524  20.767  4.2212 245.711 36.183 301.754 33.603 -56.04311      49.38015 
1 1 1 -3  16 31 o 468.901 22.295 48.033  4.4272 45.731  5.9930  50.799  6.5684 449.645 31.675 472.714 33.018 -23.06866      45.75491 
1 1 1 -3  17 1  o 301.724 12.778 19.334  1.6327 18.087  1.9974  21.844  2.8345 291.121 16.266 319.227 21.086 -28.10532      26.63039 
1 1 1 -3  17 2  o 324.857 11.913 22.404  1.6389 22.253  2.0364  22.681  2.7614 323.530 14.863 325.477 20.133 -1.947937      25.02444 
1 1 1 -3  17 3  o 228.251 11.805 11.090  1.1372 11.296  1.4150  10.712  1.9108 230.061 14.599 223.144 20.448 6.916519       25.12449 
1 1 1 -3  17 4  o 382.704 13.767 31.125  2.2312 29.223  3.1685  32.996  3.1425 369.494 20.327 393.417 18.861 -23.92340      27.72997 
1 1 1 -3  17 5  o 364.719 11.216 28.235  1.7324 26.757  2.1205  31.201  3.0043 354.795 14.113 382.593 18.542 -27.79800      23.30221 
1 1 1 -3  17 6  o 267.650 11.538 15.209  1.3077 15.679  1.6157  14.314  2.2269 271.221 14.115 258.133 20.541 13.08829       24.92342 
1 1 1 -3  17 7  o 424.182 14.297 38.256  2.5683 38.936  3.6974  37.623  3.5702 427.019 20.446 419.817 20.081 7.202148       28.65786 
1 1 1 -3  17 8  o 220.230 12.535 10.334  1.1643 10.358  1.4469  10.289  1.9611 220.114 15.623 218.450 21.476 1.664017       26.55722 
1 1 1 -3  17 9  o 411.718 12.149 35.988  2.1183 35.333  2.5427  37.475  3.8294 407.699 14.727 418.382 21.688 -10.68265      26.21518 
1 1 1 -3  17 10 o 817.690 13.792 141.997 4.7761 131.965 7.9185  147.733 5.9879 785.984 23.789 833.410 16.966 -47.42572      29.21937 
1 1 1 -3  17 11 o 944.932 14.620 189.598 5.8505 182.538 9.7628  193.555 7.3081 924.701 24.930 954.031 18.088 -29.33014      30.80121 
1 1 1 -3  17 12 o 300.556 13.318 19.165  1.6952 19.715  2.7384  18.823  2.1585 303.626 21.434 297.179 17.225 6.446869       27.49744 
1 1 1 -3  17 13 o 1203.94 17.002 307.730 8.6686 298.684 14.667  312.586 10.746 1183.04 29.276 1212.58 20.927 -29.53186      35.98624 
1 1 1 -3  17 14 o 1168.36 17.080 289.730 8.4509 291.551 14.427  288.778 10.427 1169.41 29.131 1165.72 21.122 3.689331       35.98263 
1 1 1 -3  17 15 o 558.908 14.641 66.255  3.4654 69.038  5.8420  64.743  4.3045 569.709 24.214 552.231 18.406 17.47870       30.41527 
1 1 1 -3  17 16 o 149.377 24.956 4.8752  1.5230 3.2943  1.9663  7.2460  2.4079 122.873 35.679 181.526 32.517 -58.65302      48.27336 
1 1 1 -3  17 17 o 1073.54 17.555 244.699 7.9810 258.760 13.456  237.068 9.9130 1101.40 28.848 1055.81 22.170 45.58972       36.38319 
1 1 1 -3  17 18 o 441.244 20.663 41.401  3.8611 0.0000  0.0000  41.401  3.8611 ?       ?      441.244 20.663 0.000000       20.66289 
1 1 1 -3  17 19 o 725.270 20.511 111.898 6.2998 115.657 8.4745  107.255 9.4187 736.064 27.187 707.864 31.419 28.20013       41.54866 
1 1 1 -3  17 20 o 706.080 20.684 106.104 6.1849 109.084 8.3075  102.398 9.2639 714.546 27.454 691.293 31.644 23.25287       41.89296 
1 1 1 -3  17 21 o 516.987 20.354 56.889  4.4563 54.857  5.9682  59.449  6.6994 505.761 27.973 526.019 30.201 -20.25848      41.16523 
1 1 1 -3  17 22 o 377.239 21.131 30.420  3.3622 29.748  4.4606  31.304  5.1163 371.586 28.565 380.405 32.057 -8.818695      42.93734 
1 1 1 -3  17 23 o 118.162 39.525 2.8864  2.3255 0.0000  0.0000  2.8864  2.3255 ?       ?      118.162 39.525 0.000000       39.52539 
1 1 1 -3  17 24 o 628.368 21.217 84.450  5.6459 83.361  7.5210  85.857  8.5459 621.783 28.562 628.733 32.204 -6.950745      43.04528 
1 1 1 -3  17 25 o 558.101 21.234 66.739  5.0188 64.439  6.6757  69.730  7.6111 544.897 29.034 565.470 31.913 -20.57239      43.14452 
1 1 1 -3  17 26 o 219.168 31.339 10.664  2.8259 10.664  2.8259  0.0000  0.0000 219.168 31.339 ?       ?      0.000000       31.33864 
1 1 1 -3  17 27 o 90.308  36.390 0.9468  2.1405 0.0000  0.0000  0.9468  2.1405 ?       ?      90.308  36.390 0.000000       36.38992 
1 1 1 -3  17 28 o 158.903 28.745 5.6979  1.8632 6.2463  2.4552  4.9533  2.8610 164.055 36.300 145.262 43.271 18.79291       56.48070 
1 1 1 -3  17 29 o 407.418 22.186 36.131  3.8135 37.158  5.0858  34.812  5.7639 408.936 29.566 392.034 35.089 16.90161       45.88428 
1 1 1 -3  17 30 o 218.654 25.056 10.634  2.2783 11.949  2.9959  8.8311  3.5082 228.777 31.781 189.785 44.434 38.99275       54.62952 
1 1 1 -3  17 31 o 160.508 29.532 5.9144  1.9334 5.7944  2.5310  6.0825  2.9960 155.242 38.649 157.323 43.507 -2.080978      58.19426 
1 1 1 -3  18 1  o 350.367 16.000 26.122  2.3741 22.080  3.3471  30.215  3.3679 320.067 24.889 375.522 21.265 -55.45502      32.73681 
1 1 1 -3  18 2  o 338.716 12.470 24.367  1.7888 22.696  3.1383  25.171  2.1771 324.947 22.953 344.031 14.943 -19.08423      27.38852 
1 1 1 -3  18 3  o 353.272 10.301 26.481  1.5412 24.602  2.1492  28.470  2.2112 340.118 14.921 365.953 14.268 -25.83487      20.64511 
1 1 1 -3  18 4  o 222.854 12.583 10.582  1.1827 9.9392  2.1523  10.861  1.4155 214.108 24.160 225.492 14.907 -11.38411      28.38865 
1 1 1 -3  18 5  o 289.980 9.9353 17.841  1.2201 17.000  1.7001  18.734  1.7521 282.409 14.261 296.868 13.936 -14.45892      19.93966 
1 1 1 -3  18 6  o 204.323 11.115 8.8880  0.9582 9.0447  1.3201  8.7135  1.3931 205.635 15.267 201.646 16.457 3.988647       22.44795 
1 1 1 -3  18 7  o 283.903 11.762 17.112  1.4141 17.400  2.3664  16.953  1.7637 284.920 19.734 281.971 14.822 2.949524       24.68007 
1 1 1 -3  18 8  o 343.461 14.079 25.069  2.0478 23.203  2.8267  27.131  2.9708 329.156 20.379 356.142 19.775 -26.98605      28.39618 
1 1 1 -3  18 9  o 816.616 13.497 141.624 4.6678 132.465 7.7896  146.756 5.8306 787.448 23.359 830.655 16.575 -43.20648      28.64176 
1 1 1 -3  18 10 o 600.482 12.667 76.525  3.2211 74.573  5.2713  77.687  4.0692 591.599 21.040 604.634 15.892 -13.03461      26.36736 
1 1 1 -3  18 11 o 542.305 11.382 62.369  2.6140 63.467  3.6786  61.249  3.7150 546.662 15.890 536.975 16.337 9.687012       22.78981 
1 1 1 -3  18 12 o 654.167 11.988 90.743  3.3210 84.355  4.6691  97.284  4.7245 630.211 17.494 676.903 16.481 -46.69214      24.03515 
1 1 1 -3  18 13 o 678.416 14.080 97.622  4.0453 91.060  6.7145  101.362 5.0685 654.118 24.239 690.983 17.321 -36.86456      29.79167 
1 1 1 -3  18 14 o 1070.94 19.643 243.600 8.9085 241.889 12.563  245.331 12.635 1065.52 27.841 1073.08 27.803 -7.564087      39.34572 
1 1 1 -3  18 15 o 192.671 19.718 7.9666  1.5862 7.0833  2.1384  9.0471  2.3651 180.062 29.030 204.183 28.096 -24.12100      40.39994 
1 1 1 -3  18 16 o 934.127 16.363 185.189 6.4732 181.120 10.944  187.378 8.0279 921.780 28.036 939.075 20.186 -17.29486      34.54747 
1 1 1 -3  18 17 o 328.231 20.007 22.982  2.7677 0.0000  0.0000  22.982  2.7677 ?       ?      328.231 20.007 0.000000       20.00670 
1 1 1 -3  18 18 o 217.512 18.042 10.121  1.6469 9.5630  2.5403  10.525  2.1631 209.573 29.434 221.090 23.461 -11.51709      37.64030 
1 1 1 -3  18 19 o 823.282 17.125 144.004 5.9708 142.508 9.7976  144.888 7.5308 816.613 28.331 824.995 21.555 -8.382202      35.59848 
1 1 1 -3  18 20 o 1202.07 23.354 308.010 11.889 300.239 16.118  317.281 17.606 1183.29 32.165 1215.42 34.205 -32.12549      46.95279 
1 1 1 -3  18 21 o 1123.11 23.126 268.961 10.999 274.060 14.905  262.864 16.299 1130.52 31.132 1105.44 34.815 25.06995       46.70460 
1 1 1 -3  18 22 o 309.363 21.238 20.501  2.7656 21.093  3.6724  19.725  4.2036 312.507 28.047 300.828 33.568 11.67917       43.74350 
1 1 1 -3  18 23 o 216.710 36.566 10.461  3.2364 0.0000  0.0000  10.461  3.2364 ?       ?      216.710 36.566 0.000000       36.56643 
1 1 1 -3  18 24 o 405.003 20.950 35.186  3.5809 31.988  4.6933  39.641  5.5395 383.789 29.093 426.824 30.854 -43.03488      42.40694 
1 1 1 -3  18 25 o 420.394 28.106 38.398  4.9749 38.398  4.9749  0.0000  0.0000 420.394 28.106 ?       ?      0.000000       28.10563 
1 1 1 -3  18 26 o 329.714 28.868 23.801  3.9902 23.801  3.9902  0.0000  0.0000 329.714 28.868 ?       ?      0.000000       28.86779 
1 1 1 -3  18 27 o 248.491 38.592 14.129  3.9294 0.0000  0.0000  14.129  3.9294 ?       ?      248.491 38.592 0.000000       38.59174 
1 1 1 -3  18 28 o 295.430 22.450 19.016  2.7878 18.843  3.6592  19.256  4.3039 290.848 30.146 291.277 35.634 -0.4296265     46.67459 
1 1 1 -3  18 29 o 271.987 23.359 16.236  2.6645 18.109  3.4801  13.581  4.1421 284.594 29.294 239.209 42.442 45.38438       51.57003 
1 1 1 -3  18 30 o 181.510 26.790 7.4271  1.9974 4.6872  2.6786  10.859  2.9977 139.462 41.944 216.720 33.762 -77.25813      53.84352 
1 1 1 -3  19 1  o 405.341 16.340 34.977  2.8049 37.767  4.0769  32.471  3.8650 419.472 23.039 388.727 23.589 30.74417       32.97324 
1 1 1 -3  19 2  o 472.336 15.957 47.484  3.1919 48.901  4.5807  46.147  4.4501 478.095 22.624 464.434 22.626 13.66116       31.99654 
1 1 1 -3  19 3  o 298.005 15.376 18.945  1.9339 14.817  2.6650  23.536  2.8106 261.874 24.308 331.432 20.119 -69.55829      31.55394 
1 1 1 -3  19 4  o 542.622 12.169 62.535  2.7965 57.319  4.8312  65.163  3.4294 517.722 22.035 553.536 14.629 -35.81403      26.44911 
1 1 1 -3  19 5  o 784.703 12.969 130.821 4.3097 121.602 7.4168  135.521 5.2954 753.768 23.235 798.060 15.668 -44.29260      28.02387 
1 1 1 -3  19 6  f 223.486 15.590 10.676  1.4662 11.371  1.9318  9.7325  2.2520 229.993 20.033 211.562 25.661 18.43115       32.55463 
1 1 1 -3  19 7  o 276.865 15.514 16.354  1.8116 0.0000  0.0000  16.354  1.8116 ?       ?      276.865 15.514 0.000000       15.51367 
1 1 1 -3  19 8  o 536.746 12.234 61.155  2.7808 62.379  3.3917  58.646  4.8571 541.778 14.783 524.189 21.880 17.58899       26.40577 
1 1 1 -3  19 9  o 430.971 10.538 39.394  1.9233 37.281  2.6705  41.671  2.7724 418.897 15.054 442.898 14.781 -24.00104      21.09719 
1 1 1 -3  19 10 o 231.593 11.799 11.406  1.1534 11.459  1.5578  11.343  1.7160 231.711 15.972 230.317 17.730 1.393356       23.86341 
1 1 1 -3  19 11 o 718.414 11.844 109.450 3.6033 107.629 5.0527  111.334 5.1402 711.879 16.760 724.026 16.764 -12.14697      23.70502 
1 1 1 -3  19 12 o 504.560 11.594 53.973  2.4773 53.914  3.4951  54.033  3.5117 503.975 16.376 504.523 16.436 -0.5473022     23.20158 
1 1 1 -3  19 13 o 754.096 16.947 120.697 5.4120 113.848 7.5100  128.096 7.8060 731.485 24.243 775.982 23.754 -44.49695      33.94069 
1 1 1 -3  19 14 o 816.909 17.885 141.665 6.1872 145.476 8.5924  137.562 8.9166 826.897 24.537 803.825 26.194 23.07196       35.89104 
1 1 1 -3  19 15 f 255.928 16.102 13.953  1.7362 13.497  2.6828  14.283  2.2775 250.500 25.652 258.402 20.994 -7.901672      33.14708 
1 1 1 -3  19 16 o 583.254 18.546 72.254  4.5809 0.0000  0.0000  72.254  4.5809 ?       ?      583.254 18.546 0.000000       18.54610 
1 1 1 -3  19 17 o 314.665 15.726 21.017  2.0957 22.406  3.3733  20.145  2.6744 323.368 24.822 307.102 20.684 16.26617       32.31057 
1 1 1 -3  19 18 o 162.288 19.342 5.6783  1.3031 6.5125  2.0301  5.0938  1.6995 172.319 28.838 152.205 27.372 20.11472       39.76056 
1 1 1 -3  19 19 o 423.118 19.624 38.084  3.5164 37.320  4.7102  39.045  5.2851 417.189 26.802 426.215 29.461 -9.026581      39.82874 
1 1 1 -3  19 20 o 809.386 20.919 139.480 7.1704 136.447 9.6454  143.228 10.721 798.659 28.518 817.523 30.966 -18.86377      42.09672 
1 1 1 -3  19 21 o 693.052 20.672 102.306 6.0673 105.537 8.1467  98.282  9.0917 702.357 27.389 676.598 31.730 25.75879       41.91611 
1 1 1 -3  19 22 o 236.765 31.005 12.257  3.0341 12.257  3.0341  0.0000  0.0000 236.765 31.005 ?       ?      0.000000       31.00506 
1 1 1 -3  19 23 o 244.915 22.873 12.950  2.3449 14.587  3.1596  10.942  3.4988 258.549 29.378 220.871 38.822 37.67825       48.68525 
1 1 1 -3  19 24 o 842.422 21.923 152.101 7.8211 150.730 10.478  153.826 11.753 834.463 29.649 840.799 33.008 -6.336304      44.36923 
1 1 1 -3  19 25 o 357.431 28.767 27.865  4.3175 27.865  4.3175  0.0000  0.0000 357.431 28.767 ?       ?      0.000000       28.76657 
1 1 1 -3  19 26 o 384.650 33.727 32.771  5.4386 0.0000  0.0000  32.771  5.4386 ?       ?      384.650 33.727 0.000000       33.72735 
1 1 1 -3  19 27 o 299.695 35.708 20.300  4.4428 0.0000  0.0000  20.300  4.4428 ?       ?      299.695 35.708 0.000000       35.70842 
1 1 1 -3  19 28 o 273.643 23.059 16.369  2.6473 17.201  3.4492  15.176  4.1296 277.732 29.791 256.009 39.349 21.72247       49.35432 
1 1 1 -3  19 29 o 127.465 30.807 3.7636  1.6445 4.0099  2.1656  3.4280  2.5276 130.514 37.310 122.937 41.207 7.576248       55.58809 
1 1 1 -3  19 30 o 173.964 27.809 6.8721  1.9798 5.8689  2.5102  8.5233  3.2202 156.314 38.235 187.273 41.677 -30.95885      56.55897 
1 1 1 -3  20 1  f 404.223 12.534 34.706  2.1456 32.738  3.5554  35.834  2.6909 390.826 21.565 410.401 15.482 -19.57535      26.54695 
1 1 1 -3  20 2  f 332.802 12.282 23.523  1.7310 22.928  2.8994  23.852  2.1578 326.962 21.052 334.856 15.216 -7.893921      25.97507 
1 1 1 -3  20 3  o 642.715 12.790 87.752  3.4813 89.790  4.2420  83.548  6.0924 649.661 15.419 624.873 23.022 24.78741       27.70849 
1 1 1 -3  20 4  o 328.894 12.438 22.974  1.7323 23.610  2.1312  21.735  2.9742 333.180 15.104 318.103 22.217 15.07687       26.86528 
1 1 1 -3  20 5  o 180.398 14.002 6.9578  1.0613 6.5598  1.3080  7.7246  1.8156 174.573 17.948 188.658 23.215 -14.08551      29.34408 
1 1 1 -3  20 6  o 216.691 15.807 10.040  1.4406 10.040  1.4406  0.0000  0.0000 216.691 15.807 ?       ?      0.000000       15.80727 
1 1 1 -3  20 7  o 231.193 13.721 11.393  1.3373 10.366  1.5575  14.275  2.6090 220.100 16.838 257.289 24.230 -37.18884      29.50592 
1 1 1 -3  20 8  o 682.609 21.555 99.358  6.2311 99.358  6.2311  0.0000  0.0000 682.609 21.555 ?       ?      0.000000       21.55501 
1 1 1 -3  20 9  o 1025.36 14.613 223.243 6.3456 217.439 7.7641  234.922 11.013 1011.18 18.131 1049.10 24.787 -37.91974      30.71022 
1 1 1 -3  20 10 o 241.951 14.051 12.465  1.4335 13.650  1.7368  9.9333  2.5389 252.995 16.297 213.725 28.783 39.27025       33.07653 
1 1 1 -3  20 11 f 570.723 13.275 69.089  3.2085 67.859  3.9501  71.475  5.5006 565.355 16.498 579.574 22.411 -14.21893      27.82888 
1 1 1 -3  20 12 o 845.829 14.283 151.757 5.1162 154.910 6.3761  146.056 8.5729 854.176 17.626 828.378 24.437 25.79803       30.13097 
1 1 1 -3  20 13 o 543.353 13.508 62.607  3.1081 64.838  5.1175  61.303  3.9124 552.284 21.880 537.416 17.191 14.86780       27.82547 
1 1 1 -3  20 14 o 672.567 18.172 96.042  5.1757 0.0000  0.0000  96.042  5.1757 ?       ?      672.567 18.172 0.000000       18.17159 
1 1 1 -3  20 15 o 894.297 19.570 169.910 7.4117 0.0000  0.0000  169.910 7.4117 ?       ?      894.297 19.570 0.000000       19.56994 
1 1 1 -3  20 16 o 491.953 14.706 51.351  3.0639 53.059  5.0651  50.366  3.8477 499.222 23.958 486.907 18.660 12.31522       30.36738 
1 1 1 -3  20 17 o 535.195 15.280 60.801  3.4633 50.708  5.6899  66.741  4.3651 486.619 27.725 560.420 18.392 -73.80072      33.27083 
1 1 1 -3  20 18 o 252.186 20.376 13.618  2.1575 15.042  2.9029  11.861  3.2249 264.200 26.294 232.840 33.684 31.35965       42.73140 
1 1 1 -3  20 19 o 195.458 21.983 8.2389  1.7881 7.2673  2.4816  9.2879  2.5785 181.212 33.574 206.109 30.459 -24.89764      45.33169 
1 1 1 -3  20 20 o 364.049 17.360 28.174  2.6764 26.115  4.1987  29.582  3.4735 348.167 28.733 371.935 22.153 -23.76898      36.28131 
1 1 1 -3  20 21 o 557.968 16.998 66.205  4.0165 63.604  6.3246  67.963  5.1995 544.345 27.525 564.559 21.748 -20.21350      35.07967 
1 1 1 -3  20 22 o 191.683 32.679 8.1415  2.5576 8.1415  2.5576  0.0000  0.0000 191.683 32.679 ?       ?      0.000000       32.67895 
1 1 1 -3  20 23 o 335.249 21.301 24.138  3.0084 22.297  3.9934  26.554  4.5748 319.980 29.813 348.955 31.289 -28.97540      43.21836 
1 1 1 -3  20 24 o 849.298 29.496 156.301 10.609 156.301 10.609  0.0000  0.0000 849.298 29.496 ?       ?      0.000000       29.49554 
1 1 1 -3  20 25 o 611.357 28.445 81.097  7.3644 81.097  7.3644  0.0000  0.0000 611.357 28.445 ?       ?      0.000000       28.44466 
1 1 1 -3  20 26 o 280.603 35.542 17.692  4.1289 0.0000  0.0000  17.692  4.1289 ?       ?      280.603 35.542 0.000000       35.54179 
1 1 1 -3  20 27 o 132.792 28.296 4.0062  1.5426 4.4777  1.9316  3.1760  2.5631 139.308 33.210 121.021 41.490 18.28689       53.14443 
1 1 1 -3  20 28 o 401.855 21.692 35.103  3.6779 36.538  4.8582  33.177  5.6291 406.299 28.414 382.748 35.120 23.55093       45.17483 
1 1 1 -3  20 29 o 82.234  29.474 1.3252  1.3033 0.7952  1.5926  2.3997  2.2677 78.669  31.498 107.635 38.844 -28.96633      50.00994 
1 1 1 -3  20 30 o 350.173 22.595 26.952  3.3328 22.702  4.2691  33.584  5.3331 315.193 32.447 383.234 33.188 -68.04166      46.41366 
1 1 1 -3  21 1  o 545.996 11.214 63.274  2.5930 58.501  3.6629  68.068  3.6712 524.276 16.498 565.721 15.324 -41.44513      22.51651 
1 1 1 -3  21 2  o 522.749 12.287 58.029  2.7201 52.302  4.5861  61.136  3.3785 494.752 21.888 536.207 14.878 -41.45419      26.46615 
1 1 1 -3  21 3  o 390.713 15.447 32.470  2.5558 34.864  3.5710  29.956  3.6597 403.568 20.967 373.525 23.251 30.04245       31.30795 
1 1 1 -3  21 4  o 256.423 12.711 13.964  1.3804 14.793  2.4133  13.561  1.6828 262.275 21.929 251.997 15.849 10.27736       27.05707 
1 1 1 -3  21 5  o 201.856 11.691 8.6770  0.9951 9.8711  1.4462  7.6031  1.3714 214.846 16.010 188.206 17.404 26.63988       23.64736 
1 1 1 -3  21 6  f 641.817 10.905 87.393  2.9640 86.402  4.1742  88.401  4.2094 637.545 15.460 644.887 15.413 -7.341431      21.83101 
1 1 1 -3  21 7  o 312.027 12.735 20.666  1.6828 21.862  2.0442  18.152  2.9637 320.774 15.048 290.518 24.312 30.25580       28.59268 
1 1 1 -3  21 8  o 384.523 20.438 31.568  3.3162 31.568  3.3162  0.0000  0.0000 384.523 20.438 ?       ?      0.000000       20.43812 
1 1 1 -3  21 9  o 784.810 13.307 130.688 4.4227 135.042 5.4344  122.147 7.6113 797.398 16.093 757.033 23.741 40.36426       28.68132 
1 1 1 -3  21 10 o 263.738 12.218 14.751  1.3646 14.820  1.8682  14.672  1.9980 263.646 16.820 262.173 18.107 1.472748       24.71338 
1 1 1 -3  21 11 o 648.975 13.884 89.336  3.8158 84.551  6.7970  91.539  4.6110 630.054 25.474 656.682 16.580 -26.62817      30.39470 
1 1 1 -3  21 12 o 499.430 13.877 52.901  2.9350 60.528  5.4345  49.760  3.4873 533.359 24.060 484.183 17.007 49.17636       29.46404 
1 1 1 -3  21 13 o 198.085 17.489 8.3937  1.4520 9.8280  3.1550  8.0083  1.6355 211.356 36.573 193.093 20.305 18.26282       41.83139 
1 1 1 -3  21 14 o 899.906 19.059 172.008 7.2633 0.0000  0.0000  172.008 7.2633 ?       ?      899.906 19.059 0.000000       19.05875 
1 1 1 -3  21 15 o 402.922 14.625 34.443  2.4955 39.621  3.9152  30.901  3.2386 431.665 21.417 380.776 20.156 50.88885       29.41003 
1 1 1 -3  21 16 o 751.447 15.464 119.856 4.9210 113.479 8.0391  123.678 6.2231 729.570 26.019 762.825 19.264 -33.25476      32.37431 
1 1 1 -3  21 17 o 233.460 20.118 11.678  1.9696 10.678  2.5776  13.081  3.0534 221.869 28.061 245.552 29.986 -23.68365      41.06748 
1 1 1 -3  21 18 o 580.796 18.956 71.739  4.6625 70.207  6.2677  73.638  6.9767 573.495 25.807 586.910 28.069 -13.41467      38.12980 
1 1 1 -3  21 19 o 228.311 18.525 11.158  1.7757 11.787  2.7677  10.718  2.3148 233.015 28.651 222.738 24.970 10.27719       38.00541 
1 1 1 -3  21 20 o 433.760 16.994 39.997  3.1216 39.671  4.9194  40.217  4.0390 429.839 27.164 433.814 22.058 -3.974884      34.99210 
1 1 1 -3  21 21 o 222.775 19.980 10.660  1.8650 11.826  2.7810  9.7067  2.5141 233.077 28.786 210.798 28.925 22.27879       40.80786 
1 1 1 -3  21 22 o 468.938 21.409 46.995  4.2517 44.798  5.3989  50.582  6.8986 455.506 28.126 482.036 34.012 -26.52991      44.13467 
1 1 1 -3  21 23 o 303.401 21.520 19.808  2.7472 19.715  3.6934  19.923  4.1100 300.633 29.386 301.176 32.752 -0.5432129     44.00239 
1 1 1 -3  21 24 o 763.205 28.827 126.249 9.3173 126.249 9.3173  0.0000  0.0000 763.205 28.827 ?       ?      0.000000       28.82735 
1 1 1 -3  21 25 o 479.422 32.459 50.541  6.5514 0.0000  0.0000  50.541  6.5514 ?       ?      479.422 32.459 0.000000       32.45950 
1 1 1 -3  21 26 o 274.813 35.732 17.052  4.0602 0.0000  0.0000  17.052  4.0602 ?       ?      274.813 35.732 0.000000       35.73218 
1 1 1 -3  21 27 o 255.464 22.448 14.252  2.4039 13.593  3.0790  15.280  3.8473 246.494 30.122 258.688 36.102 -12.19449      47.01816 
1 1 1 -3  21 28 o 240.817 22.991 12.732  2.3162 11.048  2.9411  15.482  3.7583 220.309 32.499 260.125 35.005 -39.81590      47.76594 
1 1 1 -3  21 29 o 222.261 24.025 10.961  2.2254 8.8248  2.8142  14.525  3.6355 193.986 35.567 250.185 35.294 -56.19812      50.10665 
1 1 1 -3  21 30 o 220.351 24.534 10.818  2.2505 9.6994  2.8632  12.625  3.6405 203.801 34.399 230.482 38.667 -26.68143      51.75343 
1 1 1 -3  22 1  o 638.191 11.481 86.435  3.1030 85.236  4.3949  87.627  4.3818 633.014 16.394 641.879 16.120 -8.864685      22.99167 
1 1 1 -3  22 2  o 675.436 11.282 96.811  3.2270 96.584  4.5750  97.036  4.5524 673.898 16.031 675.495 15.914 -1.596863      22.58846 
1 1 1 -3  22 3  o 339.023 15.219 24.432  2.1850 24.713  3.0495  24.136  3.1322 339.679 21.307 335.520 22.169 4.159515       30.74817 
1 1 1 -3  22 4  o 335.767 10.902 23.918  1.5502 24.568  2.2404  23.322  2.1471 339.952 15.562 331.245 15.306 8.707611       21.82755 
1 1 1 -3  22 5  o 232.859 13.073 11.548  1.2840 13.963  2.1157  10.140  1.6155 255.273 19.724 217.594 17.685 37.67836       26.49101 
1 1 1 -3  22 6  o 573.807 12.551 69.876  3.0499 75.833  5.2882  66.907  3.7333 596.568 20.932 561.126 15.711 35.44202       26.17181 
1 1 1 -3  22 7  o 323.579 13.021 22.219  1.7844 21.777  3.1885  22.421  2.1531 318.656 23.799 324.884 15.649 -6.228638      28.48322 
1 1 1 -3  22 8  o 397.863 21.240 33.790  3.5658 0.0000  0.0000  33.790  3.5658 ?       ?      397.863 21.240 0.000000       21.24001 
1 1 1 -3  22 9  o 694.993 13.208 102.462 3.8874 106.375 6.8080  100.569 4.7352 706.885 22.742 688.223 16.247 18.66229       27.94908 
1 1 1 -3  22 10 o 351.942 13.669 26.273  2.0372 21.149  3.5139  28.868  2.5003 313.882 26.688 368.790 16.009 -54.90735      31.12180 
1 1 1 -3  22 11 o 654.601 13.833 90.882  3.8346 85.262  6.7931  93.511  4.6455 632.816 25.348 663.766 16.526 -30.95081      30.25978 
1 1 1 -3  22 12 o 231.852 13.232 11.436  1.2938 13.744  1.8705  9.3193  1.7915 253.846 17.507 208.421 20.565 45.42508       27.00755 
1 1 1 -3  22 13 o 296.857 12.825 18.686  1.6123 19.474  2.2959  17.919  2.2646 302.315 18.015 289.894 18.543 12.42133       25.85325 
1 1 1 -3  22 14 o 440.907 14.212 41.238  2.6537 44.768  4.2295  38.946  3.4081 458.830 21.767 428.186 18.795 30.64395       28.75799 
1 1 1 -3  22 15 o 662.578 14.645 93.153  4.1093 96.771  6.6264  90.892  5.2382 674.255 23.206 654.031 18.912 20.22449       29.93686 
1 1 1 -3  22 16 o 870.271 19.202 161.010 7.0769 160.064 9.5173  162.181 10.584 866.289 25.942 871.298 28.684 -5.008545      38.67500 
1 1 1 -3  22 17 o 260.352 19.512 14.497  2.1357 15.187  2.8244  13.577  3.2637 265.609 25.420 249.839 31.550 15.76962       40.51674 
1 1 1 -3  22 18 o 371.926 16.075 29.387  2.5320 29.690  4.0503  29.192  3.2439 372.001 25.871 369.707 20.804 2.294678       33.19780 
1 1 1 -3  22 19 o 492.562 15.940 51.546  3.3251 45.700  5.2981  55.346  4.2710 461.523 27.228 509.929 19.778 -48.40628      33.65263 
1 1 1 -3  22 20 f 230.983 19.283 11.437  1.8690 12.124  2.9120  10.955  2.4373 235.958 29.806 224.876 26.078 11.08142       39.60378 
1 1 1 -3  22 21 o 258.659 18.494 14.325  2.0125 12.662  3.0618  15.589  2.6704 240.663 30.744 268.980 23.684 -28.31688      38.80921 
1 1 1 -3  22 22 o 452.942 36.292 44.966  6.9029 0.0000  0.0000  44.966  6.9029 ?       ?      452.942 36.292 0.000000       36.29170 
1 1 1 -3  22 23 o 733.208 21.443 115.210 6.6583 116.511 8.7536  113.423 10.256 734.169 28.154 721.270 33.578 12.89868       43.81932 
1 1 1 -3  22 24 o 295.370 21.669 18.829  2.6916 19.639  3.6093  17.815  4.0399 299.565 28.805 283.235 34.385 16.32953       44.85657 
1 1 1 -3  22 25 o 509.926 32.209 57.264  6.9197 0.0000  0.0000  57.264  6.9197 ?       ?      509.926 32.209 0.000000       32.20880 
1 1 1 -3  22 26 o 145.969 29.033 4.8278  1.7315 2.9491  2.4130  6.8222  2.4862 117.314 40.255 172.070 35.302 -54.75542      53.54119 
1 1 1 -3  22 27 o 303.479 21.557 20.045  2.7525 18.562  3.5534  22.269  4.3521 288.601 29.488 314.349 33.194 -25.74881      44.40068 
1 1 1 -3  22 28 o 189.648 24.233 7.9870  1.9017 7.3164  2.4018  9.1137  3.1135 177.956 33.088 196.356 38.818 -18.39984      51.00662 
1 1 1 -3  22 29 f 164.921 26.676 6.1645  1.7995 8.0206  2.3044  3.2640  2.8806 187.070 30.110 121.632 43.795 65.43790       53.14706 
1 1 1 -3  22 30 f 299.323 22.257 19.718  2.8011 19.798  3.6050  19.597  4.4495 296.020 29.135 288.988 37.223 7.031982       47.26896 
1 1 1 -3  23 1  o 143.860 16.119 4.4539  0.9652 6.5930  1.4032  2.5332  1.3296 174.925 19.262 106.902 28.747 68.02309       34.60310 
1 1 1 -3  23 2  o 87.135  24.763 1.6633  0.9568 0.9481  1.1124  3.6968  1.8759 74.137  27.137 128.706 33.933 -54.56902      43.44971 
1 1 1 -3  23 3  o 281.961 16.103 16.954  1.9149 15.304  2.7535  18.499  2.6649 266.527 24.675 293.784 21.570 -27.25735      32.77343 
1 1 1 -3  23 4  o 537.450 10.754 61.264  2.4476 59.653  3.5054  62.797  3.4189 529.852 15.622 543.724 14.848 -13.87250      21.55270 
1 1 1 -3  23 5  o 394.570 10.677 33.016  1.7840 32.595  2.5211  33.439  2.5248 391.734 15.197 396.790 15.026 -5.055817      21.37089 
1 1 1 -3  23 6  o 521.475 10.853 57.666  2.3967 55.630  3.3765  59.735  3.4026 511.783 15.579 530.373 15.149 -18.59036      21.73016 
1 1 1 -3  23 7  o 566.043 10.897 67.937  2.6123 68.497  3.6840  67.370  3.7047 567.997 15.316 563.280 15.530 4.716919       21.81189 
1 1 1 -3  23 8  o 365.732 14.821 28.388  2.2955 26.474  3.1752  30.483  3.3226 352.115 21.395 378.001 20.836 -25.88635      29.86424 
1 1 1 -3  23 9  o 1227.93 14.021 319.868 7.2909 327.852 10.278  311.781 10.344 1242.06 19.540 1211.10 20.168 30.96655       28.08154 
1 1 1 -3  23 10 o 541.955 11.226 62.262  2.5766 60.607  3.5909  64.017  3.6991 534.412 15.867 549.237 15.904 -14.82501      22.46512 
1 1 1 -3  23 11 o 935.924 13.018 185.746 5.1596 174.320 7.1991  197.813 7.3986 905.981 18.764 965.201 18.100 -59.21985      26.07112 
1 1 1 -3  23 12 o 644.233 12.051 87.991  3.2879 88.714  4.6316  87.257  4.6683 646.484 16.917 641.129 17.194 5.354858       24.12095 
1 1 1 -3  23 13 o 521.115 12.123 57.577  2.6755 56.582  3.7871  58.569  3.7804 516.241 17.322 525.250 16.995 -9.009155      24.26725 
1 1 1 -3  23 14 o 398.293 14.395 33.657  2.4280 37.354  3.9309  31.377  3.0874 418.436 22.263 384.282 18.972 34.15405       29.25001 
1 1 1 -3  23 15 o 532.174 17.107 60.153  3.8554 56.737  5.0578  64.890  5.9565 516.188 23.137 551.698 25.495 -35.51080      34.42826 
1 1 1 -3  23 16 o 843.083 15.608 150.930 5.5726 138.000 9.0547  158.814 7.0702 804.014 26.593 864.176 19.319 -60.16174      32.86969 
1 1 1 -3  23 17 o 422.103 15.356 37.838  2.7449 41.348  4.2860  35.397  3.5740 439.842 23.090 407.240 20.793 32.60257       31.07274 
1 1 1 -3  23 18 f 737.225 15.613 115.453 4.8744 124.143 8.0667  110.455 6.1177 762.568 24.979 720.344 20.054 42.22424       32.03289 
1 1 1 -3  23 19 o 621.268 15.852 82.015  4.1708 90.178  6.8047  77.102  5.2785 649.831 24.727 601.632 20.717 48.19897       32.25863 
1 1 1 -3  23 20 o 984.887 17.539 206.406 7.3154 201.450 12.126  209.242 9.1726 968.628 29.560 990.282 21.872 -21.65375      36.77238 
1 1 1 -3  23 21 o 632.266 16.626 85.111  4.4518 97.166  7.1588  77.510  5.6847 673.213 25.110 602.064 22.296 71.14899       33.57964 
1 1 1 -3  23 22 o 475.036 34.394 49.373  6.8723 0.0000  0.0000  49.373  6.8723 ?       ?      475.036 34.394 0.000000       34.39369 
1 1 1 -3  23 23 o 213.468 26.544 9.9814  2.3478 10.495  2.7688  8.6679  4.4290 217.740 30.893 191.691 52.852 26.04970       61.21864 
1 1 1 -3  23 24 o 568.792 23.290 69.687  5.6100 0.0000  0.0000  69.687  5.6100 ?       ?      568.792 23.290 0.000000       23.28984 
1 1 1 -3  23 25 o 326.156 21.296 23.009  2.9253 24.610  3.8969  20.942  4.4278 334.970 27.719 305.765 34.815 29.20450       44.50225 
1 1 1 -3  23 26 o 130.901 30.445 3.9281  1.6558 -0.0001 2.2044  9.0142  2.5084 81.398  35.113 199.963 30.594 -118.5653      46.57168 
1 1 1 -3  23 27 o 149.105 26.713 5.0136  1.6248 5.6054  2.0399  3.9863  2.6874 156.101 31.934 131.434 42.413 24.66750       53.09092 
1 1 1 -3  23 28 o 186.167 25.130 7.7467  1.9306 8.5310  2.4796  6.5393  3.0766 192.829 31.449 163.310 43.649 29.51967       53.79811 
1 1 1 -3  23 29 o 197.427 24.256 8.7025  1.9853 8.6527  2.5033  8.7870  3.2594 193.514 31.640 189.602 41.725 3.911407       52.36430 
1 1 1 -3  24 1  o 129.316 16.625 3.6117  0.8894 4.7975  1.3053  2.5843  1.2150 148.590 21.358 107.867 26.733 40.72280       34.21676 
1 1 1 -3  24 2  o 202.759 13.271 8.7623  1.1333 9.2630  1.5905  8.2459  1.6152 207.915 18.248 195.862 19.742 12.05247       26.88324 
1 1 1 -3  24 3  o 266.747 13.851 15.144  1.5593 17.238  2.7516  14.154  1.8924 283.428 23.126 257.450 17.460 25.97806       28.97752 
1 1 1 -3  24 4  o 327.592 11.073 22.758  1.5362 23.612  2.2690  22.036  2.0874 333.399 16.071 322.127 15.301 11.27130       22.19008 
1 1 1 -3  24 5  o 193.231 13.328 7.9603  1.0840 8.7786  1.5314  7.1386  1.5346 202.430 18.054 182.064 20.246 20.36569       27.12617 
1 1 1 -3  24 6  o 471.418 12.827 47.143  2.5607 46.498  3.0925  48.548  4.5673 467.981 15.604 477.485 22.587 -9.504059      27.45251 
1 1 1 -3  24 7  o 126.174 21.299 3.4788  1.0976 5.0457  2.2387  2.9830  1.2593 150.423 35.682 116.007 26.246 34.41584       44.29545 
1 1 1 -3  24 8  o 325.440 12.488 22.460  1.7211 21.131  2.8891  23.191  2.1428 314.439 21.831 330.571 15.306 -16.13263      26.66252 
1 1 1 -3  24 9  o 730.106 11.517 113.005 3.5608 110.795 5.0018  115.276 5.0705 722.498 16.347 736.975 16.246 -14.47675      23.04719 
1 1 1 -3  24 10 o 325.996 11.705 22.529  1.6160 21.376  2.2676  23.720  2.3034 316.883 16.959 334.314 16.270 -17.43152      23.50148 
1 1 1 -3  24 11 o 988.431 13.104 207.181 5.4853 200.145 7.6855  214.486 7.8313 970.761 18.695 1004.98 18.401 -34.22278      26.23104 
1 1 1 -3  24 12 o 1044.46 13.775 231.385 6.0929 232.301 8.5745  230.450 8.6596 1045.67 19.363 1041.44 19.634 4.222656       27.57593 
1 1 1 -3  24 13 o 231.176 16.580 11.404  1.6124 12.232  1.9608  9.6737  2.8337 239.128 19.533 210.223 32.909 28.90436       38.26896 
1 1 1 -3  24 14 f 704.162 17.528 105.325 5.2269 100.818 6.9278  111.280 7.9639 688.023 23.777 722.425 26.031 -34.40198      35.25532 
1 1 1 -3  24 15 o 662.839 14.475 93.252  4.0632 91.212  6.5550  94.526  5.1779 654.254 23.658 666.873 18.334 -12.61890      29.93086 
1 1 1 -3  24 16 o 442.741 15.067 41.622  2.8250 36.735  4.3089  45.306  3.7412 414.253 24.674 461.527 19.141 -47.27347      31.22794 
1 1 1 -3  24 17 o 450.240 15.181 43.054  2.8946 36.402  4.4644  47.878  3.8020 412.063 25.712 474.401 18.925 -62.33807      31.92528 
1 1 1 -3  24 18 o 366.460 16.409 28.540  2.5466 26.688  3.8765  29.946  3.3777 352.435 26.160 374.298 21.397 -21.86353      33.79604 
1 1 1 -3  24 19 o 136.718 24.346 4.1099  1.3579 4.3491  2.0796  3.9321  1.7929 139.367 35.220 132.645 32.234 6.721481       47.74380 
1 1 1 -3  24 20 f 523.011 16.030 58.186  3.5505 60.304  5.7057  56.847  4.5357 530.625 25.391 516.166 20.750 14.45984       32.79084 
1 1 1 -3  24 21 f 348.312 21.391 26.041  3.1401 24.838  3.9755  28.037  5.1201 338.506 27.983 357.820 34.205 -19.31381      44.19305 
1 1 1 -3  24 22 o 334.179 37.769 24.801  5.2513 0.0000  0.0000  24.801  5.2513 ?       ?      334.179 37.769 0.000000       37.76870 
1 1 1 -3  24 23 o 429.266 23.474 39.775  4.2511 0.0000  0.0000  39.775  4.2511 ?       ?      429.266 23.474 0.000000       23.47362 
1 1 1 -3  24 24 o 298.879 25.237 19.454  3.1645 0.0000  0.0000  19.454  3.1645 ?       ?      298.879 25.237 0.000000       25.23731 
1 1 1 -3  24 25 o 239.940 22.661 12.558  2.2754 14.192  3.0430  10.485  3.4269 252.993 28.922 212.805 39.479 40.18811       48.93903 
1 1 1 -3  24 26 o 140.282 27.162 4.4526  1.5553 4.7683  2.2969  4.1852  2.1137 142.541 37.533 133.927 36.341 8.613998       52.24375 
1 1 1 -3  24 27 o 183.101 27.299 7.5306  2.0521 7.5293  2.7238  7.5324  3.1207 179.085 37.133 176.925 42.235 2.159378       56.23803 
1 1 1 -3  24 28 o 346.872 21.871 26.381  3.1964 22.271  4.1474  32.392  5.0162 312.715 31.758 377.681 31.654 -64.96558      44.83898 
1 1 1 -3  24 29 o 198.043 24.527 8.7745  2.0131 6.9723  2.5711  11.630  3.2361 170.775 36.647 222.497 35.540 -51.72250      51.05031 
1 1 1 -3  25 1  o 601.584 13.404 76.788  3.4150 83.911  6.2215  73.716  4.0855 627.556 23.410 589.133 16.375 38.42249       28.56848 
1 1 1 -3  25 2  o 655.891 11.407 91.227  3.1686 93.872  4.4858  88.592  4.4763 664.864 15.932 645.845 16.366 19.01874       22.84008 
1 1 1 -3  25 3  o 172.108 16.432 6.3480  1.1831 6.4267  2.0782  6.3103  1.4390 170.958 29.788 171.057 20.258 -0.9902954E-01 36.02401 
1 1 1 -3  25 4  o 164.802 13.915 5.8040  0.9621 5.3024  1.4355  6.2131  1.2964 156.267 22.326 170.014 18.294 -13.74710      28.86320 
1 1 1 -3  25 5  o 666.877 11.150 94.291  3.1488 91.746  4.4553  96.831  4.4510 657.363 16.004 675.385 15.562 -18.02130      22.32257 
1 1 1 -3  25 6  o 301.294 12.022 19.249  1.5340 22.088  2.1469  16.289  2.1925 322.579 15.716 276.235 18.855 46.34445       24.54548 
1 1 1 -3  25 7  o 175.663 15.196 6.5968  1.1193 7.0244  1.7189  6.2820  1.4748 180.242 23.047 170.641 20.842 9.601242       31.07297 
1 1 1 -3  25 8  o 219.560 14.593 10.272  1.3492 11.832  2.1595  9.2731  1.7279 234.865 21.967 207.964 19.861 26.90053       29.61394 
1 1 1 -3  25 9  o 294.938 11.642 18.441  1.4541 17.591  2.0580  19.289  2.0548 287.366 16.987 301.042 16.176 -13.67569      23.45677 
1 1 1 -3  25 10 o 798.588 12.062 135.211 4.0793 137.128 5.7468  133.264 5.7913 803.740 16.884 792.289 17.260 11.45044       24.14500 
1 1 1 -3  25 11 o 155.423 19.605 5.2133  1.2617 5.4809  1.5994  4.7723  2.0530 158.617 24.608 146.497 33.782 12.11986       41.79397 
1 1 1 -3  25 12 f 201.339 18.238 8.6807  1.5382 9.2776  1.9395  7.6688  2.5252 207.634 22.412 186.627 33.166 21.00661       40.02872 
1 1 1 -3  25 13 o 1123.72 14.221 267.934 6.7675 283.453 9.6025  252.619 9.5393 1154.73 19.636 1089.89 20.668 64.84521       28.50853 
1 1 1 -3  25 14 o 426.981 14.130 38.690  2.5551 41.969  4.0376  36.499  3.2998 444.067 21.470 414.362 18.805 29.70490       28.54088 
1 1 1 -3  25 15 o 519.729 17.476 57.408  3.8465 60.959  5.1345  52.867  5.8068 534.888 22.667 496.609 27.721 38.27835       35.80870 
1 1 1 -3  25 16 o 281.228 16.302 16.861  1.9332 15.026  2.8596  18.405  2.6236 263.999 25.912 293.204 21.274 -29.20544      33.52613 
1 1 1 -3  25 17 o 427.806 15.283 38.877  2.7688 41.549  4.2660  36.931  3.6396 440.809 22.931 416.423 20.639 24.38614       30.85111 
1 1 1 -3  25 18 o 261.009 17.745 14.557  1.9498 17.216  2.8702  12.278  2.6569 282.948 24.186 238.113 26.815 44.83479       36.11076 
1 1 1 -3  25 19 o 74.216  28.134 0.8453  1.2162 0.2412  1.7291  1.4368  1.7111 76.300  31.926 91.301  33.620 -15.00161      46.36333 
1 1 1 -3  25 20 o 147.882 31.788 4.8977  1.9315 2.8539  2.3127  9.6104  3.5119 117.465 39.416 206.090 41.671 -88.62521      57.35935 
1 1 1 -3  25 21 o 499.164 19.866 53.262  4.1995 56.638  5.4949  48.523  6.5117 513.237 25.281 471.555 32.812 41.68124       41.42199 
1 1 1 -3  25 22 o 465.897 21.836 46.582  4.3084 0.0000  0.0000  46.582  4.3084 ?       ?      465.897 21.836 0.000000       21.83638 
1 1 1 -3  25 23 o 436.006 22.484 41.005  4.1375 0.0000  0.0000  41.005  4.1375 ?       ?      436.006 22.484 0.000000       22.48428 
1 1 1 -3  25 24 o 386.110 20.519 32.149  3.3431 29.651  4.4089  35.528  5.1276 367.653 28.541 401.740 30.363 -34.08655      41.67137 
1 1 1 -3  25 25 o 190.049 24.767 7.9851  1.9460 8.1200  2.8497  7.8673  2.6637 187.082 37.278 184.846 35.315 2.235580       51.34979 
1 1 1 -3  25 26 o 217.437 20.875 10.326  1.8986 12.453  2.8345  8.5941  2.5570 235.869 28.986 194.096 32.239 41.77226       43.35429 
1 1 1 -3  25 27 o 195.984 25.434 8.5708  2.0612 6.8710  2.7811  10.642  3.0701 169.415 39.492 214.257 35.048 -44.84183      52.80140 
1 1 1 -3  25 28 o 468.031 21.528 47.896  4.2670 48.619  5.6794  46.958  6.4658 464.886 28.992 451.894 34.036 12.99222       44.71034 
1 1 1 -3  25 29 o 189.728 26.293 8.1322  2.0558 6.3968  2.7638  10.282  3.0758 161.482 40.489 208.444 36.155 -46.96242      54.28209 
1 1 1 -3  26 1  o 408.458 11.490 35.374  1.9876 34.510  2.8209  36.227  2.8009 403.147 16.522 413.090 16.011 -9.942535      23.00729 
1 1 1 -3  26 2  o 365.951 11.469 28.395  1.7775 28.987  2.5079  27.797  2.5196 369.512 16.026 361.824 16.444 7.688019       22.96160 
1 1 1 -3  26 3  f 152.585 17.460 5.0091  1.1079 5.3455  2.1651  4.8897  1.2895 155.041 33.919 150.222 20.831 4.819244       39.80421 
1 1 1 -3  26 4  o 380.199 11.051 30.645  1.7793 33.901  2.5733  27.662  2.4631 399.672 15.203 360.977 16.112 38.69489       22.15276 
1 1 1 -3  26 5  o 372.535 11.128 29.421  1.7557 28.485  2.4781  30.365  2.4878 366.331 15.973 378.249 15.531 -11.91879      22.27902 
1 1 1 -3  26 6  o 417.444 11.408 36.943  2.0168 35.100  2.8372  38.825  2.8674 406.636 16.476 427.708 15.831 -21.07147      22.84874 
1 1 1 -3  26 7  o 463.037 11.184 45.450  2.1931 46.408  3.1198  44.514  3.0837 467.633 15.754 457.983 15.899 9.649750       22.38208 
1 1 1 -3  26 8  o 278.434 16.191 16.509  1.9009 15.392  2.5952  17.802  2.7920 268.004 23.092 288.362 23.056 -20.35712      32.63088 
1 1 1 -3  26 9  o 610.761 13.216 79.110  3.4183 74.024  4.1598  89.686  5.9986 590.536 16.634 649.435 21.811 -58.89990      27.42973 
1 1 1 -3  26 10 o 444.092 13.195 41.826  2.4816 40.507  3.0265  44.533  4.3352 436.847 16.359 457.555 22.373 -20.70746      27.71572 
1 1 1 -3  26 11 o 859.320 12.602 156.598 4.5859 151.962 6.4251  161.413 6.5475 845.841 17.937 871.780 17.735 -25.93829      25.22412 
1 1 1 -3  26 12 o 334.688 14.604 23.771  2.0699 21.875  3.3131  24.984  2.6510 319.488 24.678 342.423 18.348 -22.93478      30.75157 
1 1 1 -3  26 13 o 386.039 14.370 31.628  2.3493 33.679  3.7890  30.347  2.9944 397.055 22.627 377.841 18.714 19.21429       29.36316 
1 1 1 -3  26 14 o 212.498 16.518 9.6502  1.4748 9.4613  2.1619  9.8147  2.0170 209.161 24.896 213.457 22.659 -4.295959      33.66357 
1 1 1 -3  26 15 o 591.319 14.614 74.243  3.6595 82.017  5.8918  69.359  4.6694 620.357 22.426 570.956 19.312 49.40057       29.59532 
1 1 1 -3  26 16 o 526.108 14.784 58.784  3.2940 54.116  5.1234  62.073  4.3007 503.561 24.025 540.129 18.802 -36.56836      30.50733 
1 1 1 -3  26 17 o 403.210 15.422 34.541  2.6334 32.578  3.9192  36.158  3.5556 389.957 23.847 412.020 20.377 -22.06247      31.36738 
1 1 1 -3  26 18 o 635.898 15.522 85.941  4.1799 82.570  6.5229  88.290  5.4447 621.518 24.782 643.747 19.972 -22.22864      31.82807 
1 1 1 -3  26 19 o 255.711 23.334 14.096  2.4990 12.608  2.8828  18.594  5.0123 240.542 28.877 288.938 42.208 -48.39604      51.14081 
1 1 1 -3  26 20 o 563.538 19.018 67.787  4.5388 69.979  6.0720  65.012  6.8326 570.881 25.116 548.044 29.549 22.83704       38.78033 
1 1 1 -3  26 21 o 251.720 40.655 14.308  4.1862 0.0000  0.0000  14.308  4.1862 ?       ?      251.720 40.655 0.000000       40.65512 
1 1 1 -3  26 22 o 75.152  31.402 0.2928  1.6695 0.0000  0.0000  0.2928  1.6695 ?       ?      75.152  31.402 0.000000       31.40236 
1 1 1 -3  26 23 f 258.477 21.227 14.457  2.3031 14.525  3.1065  14.373  3.4318 256.725 29.086 254.095 32.648 2.629761       43.72498 
1 1 1 -3  26 24 o 180.967 24.134 7.2169  1.8035 7.3203  2.4595  7.0966  2.6523 179.212 33.643 175.274 36.899 3.937424       49.93394 
1 1 1 -3  26 25 o 162.839 25.226 5.9157  1.6834 7.8210  2.5106  4.3596  2.2690 184.705 33.322 136.415 37.911 48.29037       50.47421 
1 1 1 -3  26 26 o 161.413 23.807 5.7977  1.5785 10.325  2.2903  1.7013  2.1786 215.635 25.579 98.480  37.577 117.1549       45.45675 
1 1 1 -3  26 27 o 321.027 22.494 22.642  3.0388 25.787  4.1147  18.869  4.5070 338.777 28.958 283.233 38.578 55.54480       48.23758 
1 1 1 -3  26 28 o 125.138 30.438 3.6700  1.5976 4.4803  2.3024  2.9175  2.2186 136.045 38.325 113.304 38.603 22.74099       54.39640 
1 1 1 -3  27 1  f 283.756 14.586 17.128  1.7469 16.357  2.0883  18.925  3.1881 276.946 17.901 296.973 25.600 -20.02682      31.23760 
1 1 1 -3  27 2  f 359.276 16.382 27.401  2.4925 27.401  2.4925  0.0000  0.0000 359.276 16.382 ?       ?      0.000000       16.38175 
1 1 1 -3  27 3  o 148.462 19.188 4.7603  1.1782 5.8235  1.4901  2.9875  1.9242 164.023 22.007 117.678 35.585 46.34513       41.84046 
1 1 1 -3  27 4  o 377.397 13.175 30.207  2.1057 32.644  2.6519  26.048  3.4641 392.180 15.967 349.060 23.572 43.12054       28.47121 
1 1 1 -3  27 5  o 143.371 20.025 4.4522  1.1827 4.3047  1.4219  4.7832  2.1302 140.131 24.872 146.592 34.829 -6.460754      42.79792 
1 1 1 -3  27 6  o 210.916 17.064 9.5057  1.5111 7.0278  1.8395  14.649  2.6502 180.022 24.785 261.236 24.232 -81.21422      34.66243 
1 1 1 -3  27 7  o 175.266 17.704 6.5887  1.2961 5.8212  1.7616  7.4944  1.9137 163.265 26.377 185.987 24.923 -22.72237      36.28971 
1 1 1 -3  27 8  o 292.651 12.463 18.161  1.5446 17.170  2.1456  19.226  2.2254 283.779 17.946 300.398 17.570 -16.61890      25.11481 
1 1 1 -3  27 9  o 406.797 15.749 35.121  2.7131 34.934  3.6693  35.348  4.0299 404.744 21.484 406.865 23.488 -2.120880      31.83185 
1 1 1 -3  27 10 f 610.067 13.186 78.942  3.4068 84.560  5.7506  75.904  4.2288 630.511 21.537 597.905 16.701 32.60602       27.25336 
1 1 1 -3  27 11 o 789.744 14.336 132.345 4.7947 130.076 7.9206  133.658 6.0237 781.465 23.933 793.175 17.933 -11.70984      29.90660 
1 1 1 -3  27 12 f 380.841 14.263 30.781  2.3003 27.638  3.6661  32.822  2.9542 359.311 24.235 393.019 17.749 -33.70773      30.03935 
1 1 1 -3  27 13 o 696.114 12.770 102.808 3.7647 105.109 5.3126  100.487 5.3355 703.205 17.840 687.500 18.326 15.70569       25.57494 
1 1 1 -3  27 14 o 335.245 13.970 23.858  1.9833 20.122  2.8660  27.291  2.7475 306.502 22.231 357.789 18.193 -51.28726      28.72643 
1 1 1 -3  27 15 o 314.795 15.421 21.051  2.0558 26.699  3.1605  16.910  2.7065 353.380 21.217 280.662 22.973 72.71851       31.27155 
1 1 1 -3  27 16 o 405.374 15.065 34.908  2.5863 33.128  4.0232  36.161  3.3763 393.166 24.282 412.159 19.343 -18.99274      31.04480 
1 1 1 -3  27 17 f 691.963 15.309 101.744 4.4862 89.188  7.0542  110.271 5.8132 645.773 25.794 719.678 19.074 -73.90436      32.08037 
1 1 1 -3  27 18 o 293.207 22.040 18.456  2.7167 18.128  3.1631  19.377  5.3040 289.793 26.053 294.829 43.812 -5.036041      50.97318 
1 1 1 -3  27 19 o 219.405 23.321 10.419  2.1336 10.346  2.4433  10.654  4.3787 217.812 27.072 215.049 49.152 2.763580       56.11477 
1 1 1 -3  27 20 o 338.763 24.864 24.799  3.5421 0.0000  0.0000  24.799  3.5421 ?       ?      338.763 24.864 0.000000       24.86382 
1 1 1 -3  27 21 o 355.180 33.475 27.796  4.9757 0.0000  0.0000  27.796  4.9757 ?       ?      355.180 33.475 0.000000       33.47489 
1 1 1 -3  27 22 f 71.336  27.495 0.7458  1.1740 -0.0000 1.7390  1.3704  1.5914 73.299  31.396 87.887  32.413 -14.58807      45.12575 
1 1 1 -3  27 23 o 144.340 27.328 4.6727  1.6093 6.3626  2.1989  2.7236  2.3615 167.597 32.151 114.568 39.794 53.02862       51.15872 
1 1 1 -3  27 24 o 248.491 18.885 13.363  1.9724 15.021  2.9736  12.060  2.6357 260.598 27.352 233.294 27.188 27.30475       38.56595 
1 1 1 -3  27 25 o 105.756 28.486 2.5544  1.3044 4.6335  2.0307  1.0940  1.7019 140.941 34.338 84.665  32.972 56.27572       47.60521 
1 1 1 -3  27 26 o 112.182 28.249 2.8942  1.3412 2.3262  1.7763  3.6477  2.0457 103.120 34.543 124.822 36.435 -21.70161      50.20697 
1 1 1 -3  27 27 o 164.047 26.941 6.1197  1.8066 5.4201  2.4428  6.9644  2.6841 149.668 38.363 170.026 38.208 -20.35847      54.14382 
1 1 1 -3  27 28 o 114.859 30.788 3.0973  1.5281 2.1543  2.2936  3.8500  2.0491 103.672 38.778 126.705 36.316 -23.03281      53.12801 
1 1 1 -3  28 1  o 231.243 20.183 11.450  1.9567 12.524  2.9440  10.601  2.6189 240.485 29.528 221.127 28.639 19.35760       41.13505 
1 1 1 -3  28 2  o 129.297 27.036 3.6955  1.4327 3.7258  2.1693  3.6720  1.9081 130.304 37.371 128.765 34.356 1.539185       50.76325 
1 1 1 -3  28 3  o 145.237 19.356 4.5603  1.1609 3.8665  2.1690  4.8388  1.3743 132.460 37.158 149.189 22.448 -16.72885      43.41228 
1 1 1 -3  28 4  o 558.445 12.985 66.136  3.0709 73.783  5.6759  62.972  3.6516 588.911 22.758 544.718 15.829 44.19263       27.72214 
1 1 1 -3  28 5  o 321.749 13.660 21.957  1.8613 20.214  3.4015  22.702  2.2238 306.888 26.430 327.056 16.056 -20.16757      30.92494 
1 1 1 -3  28 6  o 243.072 18.325 12.620  1.8725 12.699  2.8503  12.560  2.4836 242.391 28.300 241.648 24.613 0.7425079      37.50602 
1 1 1 -3  28 7  o 352.282 14.050 26.327  2.0961 21.344  3.6714  28.736  2.5531 315.156 27.793 367.928 16.385 -52.77200      32.26333 
1 1 1 -3  28 8  o 378.075 13.280 30.318  2.1262 25.730  3.4244  33.197  2.7124 346.890 23.448 395.455 16.196 -48.56458      28.49815 
1 1 1 -3  28 9  o 412.835 15.887 36.180  2.7776 34.236  3.7683  38.493  4.1101 400.487 22.307 424.634 22.941 -24.14755      31.99798 
1 1 1 -3  28 10 o 497.960 11.526 52.579  2.4306 52.787  3.4866  52.382  3.3903 498.575 16.513 496.696 16.118 1.878937       23.07523 
1 1 1 -3  28 11 o 718.331 12.240 109.445 3.7234 105.068 5.2137  114.001 5.3194 703.202 17.507 732.536 17.147 -29.33386      24.50575 
1 1 1 -3  28 12 o 864.281 13.076 158.498 4.7859 158.920 6.7360  158.067 6.8012 864.557 18.398 862.189 18.627 2.367981       26.18081 
1 1 1 -3  28 13 o 451.338 12.954 43.228  2.4759 39.812  3.4544  46.836  3.5505 432.613 18.855 469.341 17.863 -36.72818      25.97327 
1 1 1 -3  28 14 o 480.908 13.135 49.087  2.6752 49.981  3.8658  48.266  3.7058 484.661 18.835 476.329 18.371 8.331299       26.31027 
1 1 1 -3  28 15 o 325.000 15.340 22.441  2.1113 20.961  3.3602  23.407  2.7138 312.135 25.647 331.019 19.444 -18.88373      32.18476 
1 1 1 -3  28 16 o 170.302 30.210 6.4033  2.0990 6.1354  2.5334  6.9899  3.7484 165.378 37.088 175.854 48.677 -10.47578      61.19580 
1 1 1 -3  28 17 o 433.446 18.847 40.013  3.4595 41.051  4.3411  38.207  5.7270 437.716 23.505 419.986 32.451 17.73053       40.06924 
1 1 1 -3  28 18 o 262.346 16.949 14.714  1.8730 13.583  2.6419  15.858  2.6558 250.513 25.247 271.267 23.346 -20.75449      34.38651 
1 1 1 -3  28 19 o 284.044 24.921 17.457  2.9674 0.0000  0.0000  17.457  2.9674 ?       ?      284.044 24.921 0.000000       24.92085 
1 1 1 -3  28 20 o 427.632 22.063 39.339  3.9819 0.0000  0.0000  39.339  3.9819 ?       ?      427.632 22.063 0.000000       22.06254 
1 1 1 -3  28 21 o 204.356 29.771 9.2605  2.5008 9.2605  2.5008  0.0000  0.0000 204.356 29.771 ?       ?      0.000000       29.77087 
1 1 1 -3  28 22 o 203.886 22.234 9.0545  1.8886 7.6750  2.5214  10.818  2.8507 184.229 33.554 220.266 31.454 -36.03717      45.99132 
1 1 1 -3  28 23 o 181.846 22.032 7.2403  1.6621 8.5963  2.5307  6.2118  2.2041 195.271 31.689 165.069 32.686 30.20213       45.52518 
1 1 1 -3  28 24 o 167.876 21.587 6.2008  1.4991 7.5418  2.1935  5.0255  2.0536 182.793 29.327 147.203 33.673 35.59026       44.65337 
1 1 1 -3  28 25 o 82.449  29.138 1.3510  1.2695 -0.1740 1.8645  2.6687  1.7332 73.200  31.930 108.615 33.945 -35.41558      46.60221 
1 1 1 -3  28 26 o 196.289 21.519 8.4930  1.7595 7.9478  2.4422  9.0812  2.5370 185.424 32.273 199.028 31.119 -13.60385      44.83260 
1 1 1 -3  28 27 o 248.777 22.193 13.682  2.3136 10.148  2.9512  19.317  3.7266 207.645 34.791 290.671 30.741 -83.02599      46.42655 
1 1 1 -3  28 28 o 147.966 25.612 4.9878  1.5468 5.4832  2.1906  4.4953  2.1844 151.343 34.893 136.257 36.932 15.08633       50.80851 
1 1 1 -3  29 1  o 621.613 11.874 81.926  3.1257 84.013  4.4317  79.860  4.4091 629.087 16.635 613.307 16.976 15.78009       23.76753 
1 1 1 -3  29 2  o 605.353 16.199 77.784  4.1529 72.705  5.7737  83.228  5.9778 584.493 23.325 625.467 22.568 -40.97345      32.45583 
1 1 1 -3  29 3  o 346.694 16.667 25.517  2.4470 20.765  3.5395  29.868  3.3868 310.925 27.153 374.162 21.464 -63.23749      34.61181 
1 1 1 -3  29 4  o 444.689 16.613 41.981  3.1286 43.953  4.7322  40.450  4.1699 453.635 24.726 435.434 22.691 18.20139       33.56012 
1 1 1 -3  29 5  o 841.227 14.046 150.126 5.0038 158.605 6.1662  133.775 8.5627 864.303 16.847 792.390 25.517 71.91223       30.57634 
1 1 1 -3  29 6  o 249.384 13.498 13.231  1.4202 13.193  2.1408  13.260  1.8981 248.265 20.547 249.197 18.109 -0.9322815     27.38809 
1 1 1 -3  29 7  o 643.833 11.613 87.891  3.1664 86.494  4.5291  89.228  4.4285 638.228 16.757 648.303 16.130 -10.07556      23.25890 
1 1 1 -3  29 8  o 385.953 11.811 31.587  1.9305 28.137  2.7071  35.158  2.7537 363.945 17.564 406.938 15.979 -42.99319      23.74474 
1 1 1 -3  29 9  o 443.667 13.632 41.764  2.5613 39.520  3.1374  46.249  4.4352 431.326 17.176 466.077 22.471 -34.75134      28.28314 
1 1 1 -3  29 10 o 239.759 13.372 12.235  1.3523 11.224  1.9703  13.135  1.8594 228.769 20.557 247.973 17.825 -19.20381      27.20874 
1 1 1 -3  29 11 o 140.398 20.073 4.2784  1.1595 5.2257  1.7673  3.5624  1.5364 154.004 28.135 126.553 29.253 27.45097       40.58735 
1 1 1 -3  29 12 o 901.653 15.805 172.709 6.0351 168.058 10.917  174.755 7.2422 885.978 29.097 906.351 18.868 -20.37286      34.67949 
1 1 1 -3  29 13 o 478.613 15.031 48.657  3.0466 47.160  3.6887  51.868  5.4041 470.818 18.500 491.954 26.032 -21.13654      31.93612 
1 1 1 -3  29 14 o 644.691 15.368 88.308  4.1958 88.185  5.1837  88.543  7.1452 643.657 19.017 643.451 26.222 0.2058716      32.39164 
1 1 1 -3  29 15 o 328.731 19.406 23.090  2.6896 28.127  3.5114  15.939  4.1837 362.319 23.004 269.054 37.758 93.26511       44.21331 
1 1 1 -3  29 16 o 326.682 15.764 22.688  2.1808 21.209  3.3685  23.755  2.8615 313.830 25.568 333.225 20.375 -19.39493      32.69351 
1 1 1 -3  29 17 o 133.566 32.736 4.0021  1.8373 0.0000  0.0000  4.0021  1.8373 ?       ?      133.566 32.736 0.000000       32.73586 
1 1 1 -3  29 18 o 416.114 20.338 36.998  3.5840 0.0000  0.0000  36.998  3.5840 ?       ?      416.114 20.338 0.000000       20.33815 
1 1 1 -3  29 19 o 266.799 17.536 15.257  1.9703 11.185  2.8034  19.232  2.7697 225.332 30.133 298.699 22.051 -73.36673      37.33929 
1 1 1 -3  29 20 o 502.920 18.429 54.105  3.9251 53.532  5.1614  54.891  6.0445 498.329 24.457 502.265 28.535 -3.935730      37.58191 
1 1 1 -3  29 21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -3  29 22 o 140.307 24.959 4.3866  1.4287 5.7396  2.0010  2.9800  2.0404 159.313 30.773 116.063 36.904 43.25083       48.05140 
1 1 1 -3  29 23 o 176.862 20.918 6.8466  1.5364 6.7309  2.3063  6.9389  2.0602 171.470 32.957 175.664 28.683 -4.193512      43.69082 
1 1 1 -3  29 24 o 122.397 27.315 3.4210  1.3799 2.9724  2.1126  3.7549  1.8224 115.066 37.638 127.038 33.424 -11.97186      50.33654 
1 1 1 -3  29 25 o 271.392 18.771 15.994  2.1441 16.414  3.1779  15.642  2.9049 270.872 28.113 265.297 26.198 5.574768       38.42690 
1 1 1 -3  29 26 o 265.017 19.389 15.342  2.1610 16.301  3.0897  14.423  3.0236 269.183 27.489 252.344 28.810 16.83929       39.81997 
1 1 1 -3  29 27 o 136.725 28.792 4.3491  1.6144 5.5027  1.9880  2.1147  2.7666 152.945 31.733 107.169 41.954 45.77598       52.60361 
1 1 1 -3  30 1  o 273.469 15.194 15.920  1.7527 17.037  2.9321  15.299  2.1863 281.731 24.829 267.606 19.424 14.12457       31.52423 
1 1 1 -3  30 2  o 224.563 19.178 10.794  1.8063 10.142  2.5595  11.441  2.5496 216.139 28.670 230.139 26.653 -13.99944      39.14533 
1 1 1 -3  30 3  o 195.999 15.821 8.2072  1.3020 10.598  2.1648  6.8521  1.6297 221.914 23.388 178.118 22.079 43.79562       32.16309 
1 1 1 -3  30 4  o 250.234 13.269 13.319  1.4011 13.155  2.0279  13.470  1.9381 248.021 19.463 251.133 18.350 -3.111176      26.74947 
1 1 1 -3  30 5  o 413.868 13.669 36.339  2.3957 37.401  3.0412  34.601  3.8893 419.645 17.113 402.517 22.911 17.12817       28.59640 
1 1 1 -3  30 6  f 147.376 22.060 4.7232  1.3345 5.1603  1.7731  4.1522  2.0266 153.072 28.398 136.580 34.907 16.49178       44.99973 
1 1 1 -3  30 7  o 272.024 17.389 15.783  1.9927 12.456  2.4307  22.604  3.4799 240.584 24.185 324.601 25.520 -84.01657      35.15944 
1 1 1 -3  30 8  o 185.895 21.336 7.4501  1.6493 7.5427  1.9645  7.2289  3.0354 186.349 25.568 179.615 40.830 6.734619       48.17477 
1 1 1 -3  30 9  o 317.394 23.352 21.584  3.1168 21.584  3.1168  0.0000  0.0000 317.394 23.352 ?       ?      0.000000       23.35199 
1 1 1 -3  30 10 o 320.120 14.331 21.755  1.9429 21.108  2.4000  22.986  3.3094 314.566 18.092 327.419 24.035 -12.85385      30.08332 
1 1 1 -3  30 11 o 475.569 13.836 48.012  2.7866 48.507  3.4648  47.107  4.6894 477.686 17.127 469.325 23.670 8.361755       29.21671 
1 1 1 -3  30 12 o 703.110 14.564 104.992 4.3365 107.626 5.2962  99.634  7.5539 711.391 17.580 682.684 26.128 28.70703       31.49153 
1 1 1 -3  30 13 o 652.687 14.909 90.498  4.1210 84.245  5.0565  102.869 7.1116 629.095 18.980 694.022 24.196 -64.92706      30.75207 
1 1 1 -3  30 14 o 320.884 15.116 21.878  2.0542 20.792  2.9336  22.923  2.8774 311.391 22.395 327.297 20.868 -15.90613      30.61069 
1 1 1 -3  30 15 o 185.250 25.238 7.4716  1.9284 7.0590  5.3935  7.5321  2.0649 180.704 60.189 185.644 27.061 -4.940216      65.99232 
1 1 1 -3  30 16 o 1117.63 21.180 266.609 10.024 0.0000  0.0000  266.609 10.024 ?       ?      1117.63 21.180 0.000000       21.17969 
1 1 1 -3  30 17 o 338.783 21.366 24.631  3.0498 0.0000  0.0000  24.631  3.0498 ?       ?      338.783 21.366 0.000000       21.36634 
1 1 1 -3  30 18 o 313.840 16.945 21.066  2.2438 19.694  3.4811  22.041  2.9348 300.916 27.625 320.023 21.785 -19.10620      35.18128 
1 1 1 -3  30 19 o 464.479 17.970 46.110  3.5347 42.389  4.6176  51.376  5.4932 442.862 24.720 486.861 26.745 -43.99988      36.41914 
1 1 1 -3  30 20 o 145.635 25.237 4.7080  1.5001 3.9353  2.1015  5.5107  2.1419 131.427 36.472 155.716 33.476 -24.28851      49.50593 
1 1 1 -3  30 21 o 147.025 36.650 4.9808  2.2740 0.0000  0.0000  4.9808  2.2740 ?       ?      147.025 36.650 0.000000       36.65039 
1 1 1 -3  30 22 o 245.405 18.197 13.000  1.8777 12.655  2.7621  13.297  2.5602 239.102 27.797 246.200 24.898 -7.097260      37.31705 
1 1 1 -3  30 23 o 168.331 20.971 6.2247  1.4625 5.7761  2.1579  6.6059  1.9890 158.036 33.294 171.054 28.457 -13.01869      43.79843 
1 1 1 -3  30 24 o 153.661 22.491 5.2431  1.4202 6.9476  2.1103  3.8320  1.9201 174.736 29.574 127.951 34.603 46.78489       45.51897 
1 1 1 -3  30 25 o 243.874 18.992 12.962  1.9460 15.140  2.9210  11.224  2.6093 260.128 26.904 223.001 28.264 37.12712       39.02151 
1 1 1 -3  30 26 f 198.223 21.134 8.6902  1.7467 10.720  2.4498  6.5913  2.4912 217.549 27.184 165.529 36.518 52.01982       45.52511 
1 1 1 -3  30 27 o 70.707  29.519 0.3848  1.4735 0.3848  1.4735  0.0000  0.0000 70.707  29.519 ?       ?      0.000000       29.51945 
1 1 1 -3  31 1  o 319.974 12.867 21.717  1.7436 20.777  2.4902  22.621  2.4421 312.087 18.931 325.828 17.765 -13.74066      25.96139 
1 1 1 -3  31 2  o 234.777 19.314 11.796  1.9033 14.277  2.6850  9.2898  2.6983 257.641 24.920 205.995 31.967 51.64543       40.53228 
1 1 1 -3  31 3  o 307.764 13.905 20.098  1.8124 22.076  3.1218  19.092  2.2259 321.158 23.108 299.259 17.642 21.89896       29.07212 
1 1 1 -3  31 4  o 100.549 26.947 2.2317  1.1707 5.1128  1.8068  0.1467  1.5371 152.209 29.091 71.392  30.000 80.81686       41.78888 
1 1 1 -3  31 5  o 381.244 14.007 30.844  2.2614 35.404  4.2403  29.031  2.6733 406.779 24.732 369.677 17.076 37.10175       30.05460 
1 1 1 -3  31 6  o 613.064 13.360 79.747  3.4686 87.646  6.3210  76.344  4.1491 641.375 23.272 599.536 16.342 41.83832       28.43647 
1 1 1 -3  31 7  o 284.849 15.526 17.281  1.8659 16.941  3.6179  17.404  2.1779 279.580 31.083 285.571 18.102 -5.991791      35.97005 
1 1 1 -3  31 8  o 422.091 14.525 37.824  2.5963 36.564  4.7647  38.356  3.0964 412.730 27.416 424.823 17.211 -12.09253      32.37034 
1 1 1 -3  31 9  o 104.943 39.366 1.7949  2.3670 0.0000  0.0000  1.7949  2.3670 ?       ?      104.943 39.366 0.000000       39.36583 
1 1 1 -3  31 10 o 323.575 15.010 22.239  2.0569 17.890  3.8920  23.924  2.4229 286.814 32.623 335.021 17.135 -48.20700      36.84930 
1 1 1 -3  31 11 o 424.125 14.400 38.203  2.5865 38.760  4.9265  37.991  3.0390 424.669 27.542 422.702 16.977 1.967041       32.35381 
1 1 1 -3  31 12 o 150.643 28.448 5.0186  1.7484 7.8926  3.8656  4.2794  1.9603 186.378 48.507 138.281 33.768 48.09721       59.10305 
1 1 1 -3  31 13 o 435.103 16.406 40.253  3.0231 43.683  5.8631  39.010  3.5282 449.875 30.963 427.976 19.467 21.89883       36.57430 
1 1 1 -3  31 14 o 449.724 17.176 43.030  3.2712 43.280  7.1664  42.964  3.6765 445.317 38.375 449.095 19.331 -3.778015      42.96898 
1 1 1 -3  31 15 o 308.602 19.019 20.370  2.4734 22.324  6.1336  19.990  2.7029 315.454 47.377 305.360 21.030 10.09454       51.83491 
1 1 1 -3  31 16 o 83.563  29.660 1.3092  1.3168 -0.6133 2.1258  2.5061  1.6773 75.922  33.569 107.650 33.352 -31.72878      47.32071 
1 1 1 -3  31 17 o 355.248 18.392 27.011  2.7575 26.924  3.6958  27.119  4.1414 353.126 24.873 353.541 27.887 -0.4149780     37.36748 
1 1 1 -3  31 18 o 329.855 19.031 23.348  2.6471 25.833  3.5691  20.309  3.9465 345.550 24.549 304.150 31.076 41.39999       39.60256 
1 1 1 -3  31 19 o 318.216 16.227 21.677  2.1795 20.161  3.1635  23.048  3.0071 304.647 24.734 326.729 21.859 -22.08118      33.00884 
1 1 1 -3  31 20 o 322.479 16.080 22.222  2.1959 24.381  3.3927  20.666  2.8808 335.087 24.068 308.970 22.164 26.11700       32.71865 
1 1 1 -3  31 21 o 84.529  31.909 1.1960  1.5603 0.0000  0.0000  1.1960  1.5603 ?       ?      84.529  31.909 0.000000       31.90869 
1 1 1 -3  31 22 o 143.887 23.936 4.6155  1.4073 9.0293  2.1067  1.0585  1.8911 202.002 25.172 87.257  34.521 114.7447       42.72430 
1 1 1 -3  31 23 f 111.782 28.417 2.8697  1.3481 3.5097  2.0253  2.3604  1.8065 122.816 36.366 103.988 34.837 18.82806       50.35960 
1 1 1 -3  31 24 o 232.252 18.933 11.745  1.8459 13.039  2.7527  10.687  2.4884 241.309 27.423 218.160 27.548 23.14908       38.87090 
1 1 1 -3  31 25 o 146.694 26.781 4.9196  1.6024 4.5321  2.2562  5.3141  2.2763 137.016 37.699 148.720 36.430 -11.70355      52.42517 
1 1 1 -3  31 26 o 94.217  33.704 1.8615  1.7035 1.8293  1.9234  1.9787  3.6683 95.789  35.574 113.519 46.915 -17.73010      58.87698 
1 1 1 -3  32 1  o 322.146 13.178 22.019  1.7979 20.144  2.5417  23.896  2.5434 307.131 19.644 334.825 18.003 -27.69467      26.64611 
1 1 1 -3  32 2  o 390.307 13.685 32.328  2.2619 35.640  4.0044  30.776  2.7411 408.324 23.254 380.596 17.007 27.72815       28.80896 
1 1 1 -3  32 3  o 373.454 11.911 29.581  1.8838 30.688  2.7554  28.610  2.5812 380.037 17.120 366.983 16.609 13.05438       23.85276 
1 1 1 -3  32 4  o 216.531 15.058 10.003  1.3723 9.6837  2.0034  10.285  1.8835 212.013 22.664 218.881 20.560 -6.867889      30.60041 
1 1 1 -3  32 5  o 189.358 17.334 7.6837  1.3746 4.9452  2.2318  9.3578  1.7449 148.727 35.853 208.768 19.981 -60.04099      41.04461 
1 1 1 -3  32 6  o 643.859 11.716 87.933  3.1945 88.698  4.6611  87.256  4.3867 646.026 17.037 640.871 16.163 5.155823       23.48405 
1 1 1 -3  32 7  o 409.035 12.533 35.500  2.1711 35.296  3.2065  35.674  2.9502 407.350 18.587 409.676 17.005 -2.326019      25.19207 
1 1 1 -3  32 8  o 218.746 20.114 10.273  1.8424 7.5439  3.7820  11.122  2.1097 182.594 48.201 227.357 22.195 -44.76283      53.06569 
1 1 1 -3  32 9  o 620.328 24.257 82.164  6.3724 0.0000  0.0000  82.164  6.3724 ?       ?      620.328 24.257 0.000000       24.25693 
1 1 1 -3  32 10 o 287.046 15.703 17.562  1.9016 15.255  3.7265  18.375  2.2112 264.069 34.121 293.348 17.885 -29.27853      38.52415 
1 1 1 -3  32 11 o 409.856 12.616 35.656  2.1897 34.423  3.1960  36.747  3.0060 402.113 18.768 415.656 17.077 -13.54300      25.37455 
1 1 1 -3  32 12 f 417.251 13.367 36.968  2.3620 37.504  3.3649  36.447  3.3163 419.676 18.933 413.720 18.928 5.955627       26.77139 
1 1 1 -3  32 13 o 486.275 13.585 50.221  2.7977 46.140  3.8759  54.660  4.0424 465.332 19.668 506.606 18.842 -41.27438      27.23684 
1 1 1 -3  32 14 o 428.279 14.100 38.975  2.5574 36.519  3.6215  41.419  3.6119 413.731 20.669 440.819 19.348 -27.08734      28.31181 
1 1 1 -3  32 15 o 498.447 13.631 52.805  2.8773 50.526  4.1271  54.960  4.0136 486.521 20.031 507.689 18.668 -21.16849      27.38095 
1 1 1 -3  32 16 o 452.688 18.117 43.728  3.4731 45.890  4.6771  41.071  5.1857 461.809 23.997 435.457 28.273 26.35287       37.08426 
1 1 1 -3  32 17 o 314.870 18.654 21.266  2.4764 22.528  3.3418  19.728  3.6880 322.605 24.647 300.371 29.368 22.23328       38.34002 
1 1 1 -3  32 18 o 362.383 16.249 28.037  2.4937 24.256  3.8648  30.733  3.2641 333.438 27.618 377.971 20.468 -44.53329      34.37622 
1 1 1 -3  32 19 o 200.632 20.304 8.7304  1.7014 9.1968  2.7947  8.4558  2.1446 201.980 33.872 195.788 26.550 6.191818       43.03718 
1 1 1 -3  32 20 o 167.038 19.963 6.0800  1.3842 5.0675  2.0056  7.0011  1.9129 148.968 32.688 177.745 26.198 -28.77695      41.89091 
1 1 1 -3  32 21 o 171.176 30.748 6.6417  2.1470 0.0000  0.0000  6.6417  2.1470 ?       ?      171.176 30.748 0.000000       30.74783 
1 1 1 -3  32 22 o 171.667 21.377 6.4859  1.5204 7.8885  2.2845  5.3707  2.0371 186.513 29.936 152.339 32.563 34.17365       44.23256 
1 1 1 -3  32 23 o 191.985 23.617 8.1733  1.8797 8.5099  2.4496  7.6912  2.9313 192.969 31.027 179.369 39.645 13.59987       50.34269 
1 1 1 -3  32 24 o 435.240 16.393 40.837  3.0216 44.058  4.7028  38.572  3.9432 446.262 24.985 419.326 22.285 26.93533       33.47919 
1 1 1 -3  32 25 o 96.676  30.744 2.1234  1.4160 3.6536  1.5811  -4.0785 3.1830 124.616 30.261 72.190  34.815 52.42612       46.12868 
1 1 1 -3  32 26 o 232.624 25.114 12.180  2.4348 11.544  2.8827  13.762  4.5479 222.813 31.423 230.894 48.073 -8.081253      57.43239 
1 1 1 -3  33 1  o 126.155 24.100 3.5068  1.2406 2.5235  1.8016  4.3935  1.7108 109.211 34.673 140.662 29.654 -31.45116      45.62424 
1 1 1 -3  33 2  o 95.563  28.595 1.9750  1.2473 7.6098  2.4484  0.0000  1.4496 185.747 32.298 67.660  28.814 118.0863       43.28334 
1 1 1 -3  33 3  f 245.954 14.024 12.884  1.4546 9.9971  2.0855  15.618  2.0300 215.300 23.241 270.447 17.824 -55.14656      29.28929 
1 1 1 -3  33 4  o 207.373 16.949 9.2009  1.4755 6.7107  2.1221  11.532  2.0530 174.644 29.759 231.732 21.153 -57.08731      36.51075 
1 1 1 -3  33 5  o 195.963 17.576 8.2303  1.4431 9.3253  2.2943  7.5136  1.8563 207.179 26.776 186.120 24.118 21.05865       36.03696 
1 1 1 -3  33 6  o 719.406 12.091 109.811 3.6836 113.177 5.3389  106.753 5.0889 729.575 17.280 708.620 16.958 20.95465       24.21056 
1 1 1 -3  33 7  o 341.092 13.828 24.703  1.9975 22.458  2.9127  26.697  2.7447 323.919 21.353 353.746 18.385 -29.82690      28.17667 
1 1 1 -3  33 8  o 206.773 20.705 9.2000  1.7887 11.196  3.3659  8.4147  2.1115 225.002 36.581 196.712 25.983 28.29048       44.86941 
1 1 1 -3  33 9  o 243.586 20.543 12.733  2.0993 9.1568  2.9219  16.549  3.0183 203.274 35.218 276.942 26.041 -73.66771      43.80021 
1 1 1 -3  33 10 o 401.834 12.366 34.273  2.1043 31.020  3.0240  37.327  2.9302 381.699 18.707 418.962 16.515 -37.26254      24.95401 
1 1 1 -3  33 11 o 485.262 12.480 49.987  2.5647 50.482  3.7027  49.530  3.5558 487.012 17.953 482.468 17.403 4.543304       25.00360 
1 1 1 -3  33 12 o 418.195 13.019 37.137  2.3057 36.059  3.3812  38.073  3.1522 411.374 19.409 422.938 17.599 -11.56390      26.19990 
1 1 1 -3  33 13 o 176.444 21.842 6.7472  1.5972 5.8410  2.3401  7.5375  2.1853 161.295 35.244 185.209 28.798 -23.91405      45.51315 
1 1 1 -3  33 14 o 306.573 18.089 20.101  2.3381 17.866  2.9892  23.625  3.7529 287.670 24.778 330.536 27.047 -42.86630      36.68142 
1 1 1 -3  33 15 o 300.512 18.682 19.351  2.3658 17.294  3.0532  22.441  3.7424 282.471 25.809 321.533 27.756 -39.06183      37.90126 
1 1 1 -3  33 16 o 318.913 16.187 21.743  2.1790 27.118  3.5238  18.415  2.7727 354.450 23.611 292.054 22.593 62.39636       32.67913 
1 1 1 -3  33 17 o 219.408 19.279 10.387  1.7731 10.674  2.8216  10.199  2.2795 219.238 31.277 215.933 25.413 3.304932       40.30030 
1 1 1 -3  33 18 o 357.318 15.670 27.264  2.3712 28.737  3.7766  26.306  3.0466 363.812 24.657 349.306 20.688 14.50534       32.18650 
1 1 1 -3  33 19 f 96.607  28.396 2.0751  1.2387 3.8134  2.0529  1.0798  1.5534 129.073 36.129 82.843  31.702 46.22939       48.06580 
1 1 1 -3  33 20 f 231.745 21.968 11.706  2.1303 11.955  2.6389  11.240  3.6094 232.453 27.328 220.042 40.215 12.41090       48.62202 
1 1 1 -3  33 21 o 219.993 17.884 10.483  1.6518 8.0479  2.4225  12.599  2.2581 187.988 31.546 239.825 22.496 -51.83676      38.74561 
1 1 1 -3  33 22 o 218.221 18.032 10.344  1.6515 11.250  2.4514  9.5914  2.2348 224.597 26.269 207.270 26.034 17.32672       36.98440 
1 1 1 -3  33 23 o 134.443 35.752 4.2872  2.0708 0.0000  0.0000  4.2872  2.0708 ?       ?      134.443 35.752 0.000000       35.75194 
1 1 1 -3  33 24 o 314.416 21.083 21.719  2.7910 17.831  3.4975  28.537  4.6313 279.599 30.007 353.257 31.281 -73.65799      43.34655 
1 1 1 -3  33 25 o 219.415 24.526 10.820  2.2400 7.8052  2.7661  16.563  3.8179 179.040 37.675 264.888 34.883 -85.84714      51.34367 
1 1 1 -3  33 26 f 199.839 33.444 9.4441  2.7303 0.0000  0.0000  9.4441  2.7303 ?       ?      199.839 33.444 0.000000       33.44376 
1 1 1 -3  34 1  o 517.698 12.283 56.872  2.6930 57.796  3.8359  55.974  3.7816 521.327 17.374 513.042 17.405 8.284729       24.59290 
1 1 1 -3  34 2  o 497.980 13.605 52.648  2.8691 46.294  4.8888  55.987  3.5435 464.871 24.923 513.232 16.303 -48.36072      29.78222 
1 1 1 -3  34 3  o 268.586 13.320 15.314  1.5151 16.299  2.1997  14.425  2.0898 276.096 18.928 259.623 19.142 16.47226       26.92011 
1 1 1 -3  34 4  o 335.477 13.073 23.890  1.8573 25.281  2.7177  22.671  2.5442 344.155 18.717 325.881 18.511 18.27368       26.32464 
1 1 1 -3  34 5  o 700.625 12.449 104.179 3.6936 114.888 5.3698  94.563  5.0887 734.978 17.252 666.667 18.024 68.31146       24.94986 
1 1 1 -3  34 6  o 442.404 12.202 41.537  2.2860 42.289  3.5115  40.983  3.0116 445.729 18.603 439.069 16.196 6.659943       24.66545 
1 1 1 -3  34 7  o 702.807 12.370 104.838 3.6817 90.362  5.2670  118.670 5.1485 651.417 19.092 747.087 16.273 -95.66992      25.08641 
1 1 1 -3  34 8  o 232.988 18.209 11.624  1.7824 10.773  2.7721  12.224  2.3272 221.992 30.277 238.122 23.379 -16.12997      38.25222 
1 1 1 -3  34 9  o 437.152 14.371 40.601  2.6605 40.821  4.3047  40.464  3.3842 436.535 23.370 435.961 18.330 0.5742493      29.70121 
1 1 1 -3  34 10 o 261.475 14.347 14.570  1.5826 13.148  2.3536  15.743  2.1381 247.108 22.746 271.245 18.728 -24.13663      29.46390 
1 1 1 -3  34 11 o 500.807 12.380 53.248  2.6256 53.155  3.7613  53.336  3.6667 499.670 17.775 500.596 17.296 -0.9255981     24.80145 
1 1 1 -3  34 12 f 332.219 16.177 23.483  2.2760 22.477  2.9131  25.060  3.6467 323.759 21.367 341.080 25.429 -17.32117      33.21398 
1 1 1 -3  34 13 o 172.584 24.714 6.5103  1.7547 6.3039  2.3238  6.7840  2.6765 167.728 33.882 173.344 37.547 -5.616028      50.57411 
1 1 1 -3  34 14 o 380.674 17.051 30.894  2.7489 32.882  3.3248  26.599  4.8866 391.715 20.110 348.377 33.536 43.33749       39.10341 
1 1 1 -3  34 15 o 452.754 15.052 43.671  2.8859 41.312  4.6066  45.194  3.7026 437.355 24.975 459.750 19.017 -22.39511      31.39110 
1 1 1 -3  34 16 o 465.684 15.023 46.238  2.9627 48.056  4.8102  45.126  3.7606 471.598 24.166 459.013 19.346 12.58444       30.95581 
1 1 1 -3  34 17 o 338.073 15.752 24.408  2.2552 23.896  3.6884  24.713  2.8500 330.959 26.539 338.755 19.954 -7.796112      33.20367 
1 1 1 -3  34 18 o 248.366 17.156 13.267  1.7934 12.976  2.8908  13.450  2.2867 242.269 28.737 248.873 21.920 -6.604462      36.14238 
1 1 1 -3  34 19 o 251.987 17.874 13.691  1.8950 7.3612  3.1320  17.346  2.3801 176.669 42.402 283.186 19.974 -106.5172      46.87067 
1 1 1 -3  34 20 o 193.784 26.729 8.3683  2.1351 8.7534  2.7580  7.7923  3.3731 195.186 34.634 179.931 44.512 15.25496       56.39947 
1 1 1 -3  34 21 o 126.584 24.850 3.6252  1.2846 1.0889  1.8223  6.1308  1.8112 86.127  33.946 164.867 26.866 -78.73933      43.29154 
1 1 1 -3  34 22 o 83.340  26.912 1.5110  1.0818 2.4770  1.4926  0.4419  1.5702 104.094 31.310 73.794  30.612 30.29973       43.78855 
1 1 1 -3  34 23 o 132.414 29.889 4.0856  1.6363 4.1157  1.9230  4.0068  3.1152 131.636 34.189 130.736 45.688 0.9000397      57.06411 
1 1 1 -3  34 24 o 264.445 22.084 15.497  2.4506 11.068  3.0344  23.802  4.1554 216.504 34.234 321.715 30.879 -105.2107      46.10286 
1 1 1 -3  34 25 o 298.271 24.624 19.953  3.0826 0.0000  0.0000  19.953  3.0826 ?       ?      298.271 24.624 0.000000       24.62395 
1 1 1 -3  35 1  o 491.403 14.450 51.297  3.0071 50.638  3.7417  52.498  5.0532 487.789 18.113 495.713 24.071 -7.923981      30.12493 
1 1 1 -3  35 2  o 518.354 12.087 57.023  2.6533 56.646  3.8020  57.381  3.7046 516.013 17.398 519.426 16.841 -3.412842      24.21398 
1 1 1 -3  35 3  o 147.952 20.119 4.7485  1.2279 4.9565  1.8564  4.5867  1.6372 149.304 30.393 143.934 27.866 5.370590       41.23377 
1 1 1 -3  35 4  o 80.884  28.664 1.2195  1.2293 3.0259  1.8421  -0.2309 1.6506 117.460 34.656 69.632  30.210 47.82771       45.97520 
1 1 1 -3  35 5  o 712.644 12.571 107.810 3.7938 107.645 5.5232  107.957 5.2201 711.087 18.341 712.325 17.304 -1.238464      25.21594 
1 1 1 -3  35 6  o 413.115 12.664 36.232  2.2156 36.346  3.4467  36.151  2.8924 413.005 19.706 412.272 16.566 0.7329712      25.74446 
1 1 1 -3  35 7  o 305.528 15.577 19.896  2.0088 25.182  3.0507  15.850  2.6690 342.961 21.107 271.380 23.454 71.58032       31.55306 
1 1 1 -3  35 8  o 339.213 14.297 24.448  2.0538 25.135  3.1053  23.914  2.7383 342.545 21.516 334.454 19.417 8.091034       28.98157 
1 1 1 -3  35 9  f 287.087 19.748 17.650  2.3863 17.014  3.1801  18.470  3.6102 280.437 27.116 291.718 29.634 -11.28082      40.16784 
1 1 1 -3  35 10 o 389.049 14.887 32.177  2.4527 30.922  3.0993  34.280  4.0120 380.393 19.303 399.646 23.813 -19.25302      30.65403 
1 1 1 -3  35 11 o 209.044 19.488 9.3994  1.7054 10.190  2.1697  8.1217  2.7584 216.893 24.025 190.701 35.461 26.19215       42.83311 
1 1 1 -3  35 12 o 289.598 15.231 17.894  1.8614 19.841  2.8277  16.406  2.4727 303.754 22.134 276.225 21.302 27.52844       30.71981 
1 1 1 -3  35 13 o 369.626 15.770 29.102  2.4685 27.450  3.9680  30.145  3.1528 356.129 26.500 375.015 19.923 -18.88626      33.15401 
1 1 1 -3  35 14 o 215.724 20.471 10.053  1.8478 12.742  3.0169  8.4392  2.3375 240.559 30.285 195.398 29.139 45.16200       42.02729 
1 1 1 -3  35 15 o 232.321 18.475 11.619  1.8027 11.716  2.7679  11.548  2.3756 230.593 28.985 230.111 24.767 0.4824982      38.12533 
1 1 1 -3  35 16 f 255.407 17.452 14.021  1.8763 11.413  3.1162  15.504  2.3501 225.632 33.640 267.806 20.887 -42.17326      39.59715 
1 1 1 -3  35 17 o 220.192 19.198 10.485  1.7723 12.951  2.9545  9.0982  2.2151 241.777 29.465 203.073 26.380 38.70348       39.54870 
1 1 1 -3  35 18 o 275.283 16.667 16.288  1.9339 19.262  3.0532  14.295  2.4992 297.015 24.492 255.979 23.310 41.03580       33.81136 
1 1 1 -3  35 19 o 132.842 24.812 3.9598  1.3445 7.0912  2.2040  2.1037  1.6968 176.937 30.516 99.672  33.760 77.26505       45.50775 
1 1 1 -3  35 20 o 108.618 42.330 2.0214  2.8067 0.0000  0.0000  2.0214  2.8067 ?       ?      108.618 42.330 0.000000       42.33023 
1 1 1 -3  35 21 o 146.340 24.162 4.8108  1.4451 6.2063  2.1277  3.6156  1.9690 163.681 31.841 123.997 35.617 39.68388       47.77406 
1 1 1 -3  35 22 o 92.324  30.355 1.8726  1.3734 2.2993  1.5395  0.2084  3.0403 100.850 32.055 94.363  40.970 6.486580       52.01971 
1 1 1 -3  35 23 o 157.795 29.518 5.7849  1.9000 5.5336  2.2902  6.3396  3.4031 151.244 36.233 156.937 47.294 -5.692841      59.57838 
1 1 1 -3  35 24 o 435.596 21.745 41.856  4.0112 0.0000  0.0000  41.856  4.0112 ?       ?      435.596 21.745 0.000000       21.74453 
1 1 1 -3  35 25 o 147.054 39.688 5.4141  2.5290 0.0000  0.0000  5.4141  2.5290 ?       ?      147.054 39.688 0.000000       39.68824 
1 1 1 -3  36 1  o 592.234 18.011 74.666  4.5173 74.666  4.5173  0.0000  0.0000 592.234 18.011 ?       ?      0.000000       18.01110 
1 1 1 -3  36 2  o 472.354 14.456 47.408  2.8918 45.096  3.5579  51.907  4.9637 460.221 18.255 492.808 23.784 -32.58759      29.98211 
1 1 1 -3  36 3  o 150.358 26.510 4.9816  1.6263 3.9428  1.9431  7.4119  2.9719 132.693 34.320 181.349 39.790 -48.65587      52.54662 
1 1 1 -3  36 4  o 453.092 15.344 43.642  2.9442 43.904  3.6660  43.165  4.9414 453.964 19.069 448.197 26.147 5.767212       32.36211 
1 1 1 -3  36 5  o 448.371 15.499 42.742  2.9429 44.215  3.7308  40.316  4.7880 455.517 19.340 433.059 26.231 22.45770       32.58983 
1 1 1 -3  36 6  o 515.943 14.662 56.574  3.2036 61.524  4.1154  48.962  5.1037 537.526 18.079 477.591 25.324 59.93442       31.11543 
1 1 1 -3  36 7  o 228.968 20.218 11.266  1.9403 9.9153  2.7657  12.574  2.7228 212.324 31.732 240.666 27.192 -28.34203      41.78886 
1 1 1 -3  36 8  o 325.234 17.454 22.585  2.3953 21.910  3.1893  23.457  3.6277 319.197 23.764 329.802 26.189 -10.60458      35.36396 
1 1 1 -3  36 9  o 474.035 15.166 47.787  3.0446 41.415  5.1174  51.279  3.7879 438.258 27.715 490.575 18.233 -52.31717      33.17459 
1 1 1 -3  36 10 o 313.869 15.467 20.961  2.0559 16.401  3.5162  23.329  2.5343 274.065 30.831 330.335 18.186 -56.27081      35.79438 
1 1 1 -3  36 11 o 292.527 15.885 18.274  1.9605 16.312  3.2599  19.386  2.4539 273.678 28.547 300.715 19.372 -27.03741      34.49951 
1 1 1 -3  36 12 o 397.924 15.316 33.725  2.5810 29.179  4.2925  36.299  3.2301 366.692 27.850 412.281 18.501 -45.58896      33.43452 
1 1 1 -3  36 13 o 238.327 22.511 12.301  2.2451 14.045  5.0734  11.877  2.5036 245.100 50.556 233.333 25.766 11.76706       56.74326 
1 1 1 -3  36 14 o 63.423  27.355 -0.0968 1.3375 0.1001  2.0897  -0.2334 1.7408 81.092  34.567 71.024  30.920 10.06754       46.37771 
1 1 1 -3  36 15 o 164.087 22.563 5.9044  1.5264 2.8679  2.3346  8.1717  2.0173 116.521 39.599 192.769 25.324 -76.24745      47.00391 
1 1 1 -3  36 16 o 285.166 16.201 17.446  1.9484 13.648  2.8831  20.639  2.6435 248.817 27.838 309.146 20.304 -60.32965      34.45612 
1 1 1 -3  36 17 o 130.204 25.917 3.8103  1.3788 3.8354  2.4357  3.7985  1.6726 129.789 40.187 128.927 31.013 0.8628235      50.76266 
1 1 1 -3  36 18 o 196.703 19.705 8.4197  1.6194 10.461  2.7888  7.3810  1.9891 215.398 31.504 182.008 26.591 33.39050       41.22615 
1 1 1 -3  36 19 o 169.275 22.232 6.3293  1.5552 7.1294  2.4161  5.7633  2.0322 175.588 33.717 158.307 31.421 17.28108       46.08826 
1 1 1 -3  36 20 o 148.553 44.287 5.3909  2.9960 0.0000  0.0000  5.3909  2.9960 ?       ?      148.553 44.287 0.000000       44.28676 
1 1 1 -3  36 21 o 245.021 22.658 13.251  2.3245 11.769  2.9893  15.518  3.6969 226.269 32.095 258.747 34.605 -32.47827      47.19763 
1 1 1 -3  36 22 o 207.539 18.836 9.4378  1.6375 7.7195  2.3935  10.950  2.2452 181.711 32.287 221.284 24.362 -39.57301      40.44674 
1 1 1 -3  36 23 f 122.912 34.598 3.6484  1.8771 0.0000  0.0000  3.6484  1.8771 ?       ?      122.912 34.598 0.000000       34.59830 
1 1 1 -3  36 24 f 353.923 34.019 29.537  5.0361 0.0000  0.0000  29.537  5.0361 ?       ?      353.923 34.019 0.000000       34.01917 
1 1 1 -3  37 1  o 498.953 17.485 52.997  3.6947 57.673  5.2358  48.359  5.2145 519.320 23.807 474.391 26.056 44.92960       35.29395 
1 1 1 -3  37 2  o 560.349 12.316 66.663  2.9225 66.108  4.2164  67.177  4.0546 557.193 17.868 561.820 17.041 -4.625916      24.69197 
1 1 1 -3  37 3  o 296.876 14.495 18.732  1.8224 17.823  2.6014  19.607  2.5538 288.176 21.470 302.573 20.044 -14.39725      29.37207 
1 1 1 -3  37 4  o 194.903 20.714 8.1944  1.6835 5.1719  2.7050  10.105  2.1509 151.486 41.114 216.080 23.905 -64.59361      47.55859 
1 1 1 -3  37 5  o 992.068 13.526 209.091 5.6827 212.738 8.1981  205.717 7.8841 998.946 19.379 982.469 18.949 16.47687       27.10372 
1 1 1 -3  37 6  o 223.247 18.306 10.689  1.7155 13.307  3.9035  10.062  1.9098 244.485 39.012 216.087 21.141 28.39830       44.37214 
1 1 1 -3  37 7  o 385.737 16.015 31.661  2.6161 31.234  5.0847  31.815  3.0510 379.099 31.970 386.337 18.648 -7.237976      37.01081 
1 1 1 -3  37 8  o 188.722 23.730 7.7427  1.8546 9.0709  3.4512  7.2034  2.1991 199.952 42.089 180.580 29.796 19.37230       51.56795 
1 1 1 -3  37 9  o 373.766 16.108 29.747  2.5497 35.504  4.6217  27.229  3.0570 405.412 27.075 356.440 20.336 48.97263       33.86187 
1 1 1 -3  37 10 o 294.532 16.309 18.540  2.0263 12.577  3.3638  21.936  2.5385 238.167 34.344 319.985 18.816 -81.81830      39.16021 
1 1 1 -3  37 11 o 182.822 19.404 7.2252  1.4794 6.5486  2.0995  7.8924  2.0848 171.511 29.998 189.537 26.715 -18.02612      40.16922 
1 1 1 -3  37 12 o 89.242  30.023 1.6321  1.3418 2.1894  1.9671  1.1471  1.8350 104.454 36.317 88.515  34.302 15.93890       49.95525 
1 1 1 -3  37 13 o 458.600 13.949 44.813  2.7092 45.102  3.9401  44.555  3.7310 458.477 20.293 455.968 19.322 2.508606       28.02063 
1 1 1 -3  37 14 o 218.120 18.723 10.272  1.7127 14.946  2.6004  6.6908  2.2760 262.070 23.687 172.022 32.433 90.04817       40.16125 
1 1 1 -3  37 15 o 271.617 16.483 15.842  1.8871 20.399  2.8311  12.199  2.5314 306.798 21.934 235.714 25.780 71.08472       33.84822 
1 1 1 -3  37 16 o 270.594 16.868 15.747  1.9234 18.373  2.9475  13.800  2.5382 290.096 24.213 251.168 24.161 38.92825       34.20604 
1 1 1 -3  37 17 o 112.774 29.416 2.9030  1.4195 3.7001  2.4190  2.4844  1.7531 127.339 40.150 106.234 34.254 21.10507       52.77644 
1 1 1 -3  37 18 o 124.930 34.219 3.6302  1.8638 -0.3782 2.5021  8.6263  2.7934 82.916  36.553 192.870 35.508 -109.9536      50.96015 
1 1 1 -3  37 19 o 145.482 30.788 4.9025  1.8377 3.6360  2.3572  6.8651  2.9344 124.752 39.666 168.182 41.463 -43.42924      57.38091 
1 1 1 -3  37 20 o 132.440 45.247 4.1347  3.0482 0.0000  0.0000  4.1347  3.0482 ?       ?      132.440 45.247 0.000000       45.24693 
1 1 1 -3  37 21 o 151.393 31.989 5.3833  1.9867 0.0000  0.0000  5.3833  1.9867 ?       ?      151.393 31.989 0.000000       31.98868 
1 1 1 -3  37 22 o 139.634 37.013 4.7762  2.2241 0.0000  0.0000  4.7762  2.2241 ?       ?      139.634 37.013 0.000000       37.01327 
1 1 1 -3  37 23 o 158.595 24.899 5.7443  1.6172 2.6083  2.0539  10.860  2.6234 106.671 37.108 216.411 29.384 -109.7406      47.33356 
1 1 1 -3  37 24 o 80.270  28.347 1.3435  1.2013 2.7819  1.7565  0.0792  1.6466 108.221 34.223 70.123  30.298 38.09796       45.70761 
1 1 1 -3  38 1  o 265.304 32.326 15.411  3.5569 0.0000  0.0000  15.411  3.5569 ?       ?      265.304 32.326 0.000000       32.32642 
1 1 1 -3  38 2  o 300.300 23.407 19.409  2.9533 13.737  4.1267  25.363  4.2282 247.858 40.730 342.047 29.477 -94.18869      50.27791 
1 1 1 -3  38 3  o 354.012 21.243 26.862  3.1700 20.221  4.3723  34.222  4.6026 303.697 34.614 398.213 27.460 -94.51648      44.18390 
1 1 1 -3  38 4  o 281.925 25.472 17.178  3.0083 15.316  4.6416  18.526  3.9503 261.009 43.525 291.065 32.608 -30.05569      54.38477 
1 1 1 -3  38 5  o 332.648 17.646 23.643  2.4770 27.848  4.6678  21.995  2.9224 357.900 31.106 320.063 21.689 37.83682       37.92101 
1 1 1 -3  38 6  o 177.150 24.418 6.8495  1.7832 9.7255  3.8174  6.0469  2.0167 206.295 44.964 165.018 29.962 41.27696       54.03233 
1 1 1 -3  38 7  o 744.943 12.912 117.939 4.0733 104.070 5.9563  130.124 5.5828 697.936 20.152 781.464 16.869 -83.52869      26.28075 
1 1 1 -3  38 8  o 316.906 14.835 21.376  1.9910 15.368  3.0740  25.718  2.6132 265.628 27.736 346.752 17.856 -81.12363      32.98659 
1 1 1 -3  38 9  o 335.952 15.222 24.041  2.1656 27.974  3.3021  21.071  2.8688 360.665 21.720 312.825 21.791 47.84030       30.76702 
1 1 1 -3  38 10 o 147.481 26.067 4.8248  1.5685 5.2389  2.2183  4.4107  2.2181 151.790 35.193 139.206 36.994 12.58463       51.05978 
1 1 1 -3  38 11 o 211.458 18.332 9.6357  1.6254 9.9224  2.3702  9.3812  2.2333 212.530 26.938 206.799 26.080 5.730927       37.49492 
1 1 1 -3  38 12 o 278.969 15.915 16.672  1.8724 16.762  2.6577  16.583  2.6384 278.057 22.769 276.569 22.728 1.487549       32.17117 
1 1 1 -3  38 13 o 165.421 22.354 6.0010  1.5259 4.9669  2.4303  6.6740  1.9605 146.535 38.618 173.145 27.669 -26.60988      47.50720 
1 1 1 -3  38 14 o 218.107 18.489 10.280  1.6917 10.994  2.5302  9.7019  2.2749 223.056 27.359 209.728 26.184 13.32867       37.86940 
1 1 1 -3  38 15 o 189.086 25.115 7.8979  1.9613 8.2239  2.4727  7.3448  3.2207 190.804 31.715 176.026 43.464 14.77794       53.80452 
1 1 1 -3  38 16 o 241.648 21.359 12.720  2.1633 11.952  2.7279  14.022  3.5510 231.723 28.392 248.442 34.698 -16.71931      44.83357 
1 1 1 -3  38 17 o 135.589 31.473 4.2498  1.7724 5.5009  2.2020  1.9475  2.9870 153.554 34.681 109.979 43.425 43.57502       55.57457 
1 1 1 -3  38 18 o 112.804 28.423 2.9356  1.3572 3.6216  2.3764  2.6036  1.6534 124.611 39.849 106.853 33.115 17.75786       51.81299 
1 1 1 -3  38 19 o 104.207 31.911 2.4895  1.5406 0.0000  0.0000  2.4895  1.5406 ?       ?      104.207 31.911 0.000000       31.91109 
1 1 1 -3  38 20 o 278.755 22.277 17.148  2.6079 0.0000  0.0000  17.148  2.6079 ?       ?      278.755 22.277 0.000000       22.27741 
1 1 1 -3  38 21 o 149.744 35.715 5.4346  2.2331 0.0000  0.0000  5.4346  2.2331 ?       ?      149.744 35.715 0.000000       35.71474 
1 1 1 -3  38 22 o 133.832 30.457 4.2614  1.6874 4.3449  2.3835  4.1775  2.3891 131.884 39.543 129.471 39.754 2.412476       56.07166 
1 1 1 -3  38 23 o 76.264  28.441 1.0970  1.2319 2.6408  1.8068  -0.2442 1.6841 105.914 34.816 67.586  29.881 38.32793       45.88053 
1 1 1 -3  39 1  o 315.115 19.818 21.288  2.6312 17.049  3.4749  26.986  4.0284 279.547 29.813 353.162 27.142 -73.61414      40.31757 
1 1 1 -3  39 2  o 299.996 17.070 19.240  2.1598 21.371  3.6773  18.118  2.6685 313.820 27.963 290.188 21.875 23.63171       35.50249 
1 1 1 -3  39 3  o 535.544 13.184 60.966  2.9900 55.102  4.1896  67.052  4.2685 507.980 19.475 560.712 17.976 -52.73163      26.50336 
1 1 1 -3  39 4  f 175.010 39.676 6.9685  2.8728 4.8516  4.0977  9.0147  4.0287 151.918 52.439 197.350 48.540 -45.43230      71.45592 
1 1 1 -3  39 5  o 169.413 30.327 6.3856  2.0959 10.464  2.8134  1.2988  3.1419 217.691 31.428 108.812 44.002 108.8796       54.07325 
1 1 1 -3  39 6  o 237.662 22.553 12.216  2.2427 9.8004  2.9457  15.547  3.4593 209.584 34.381 266.049 31.302 -56.46519      46.49559 
1 1 1 -3  39 7  o 413.603 16.330 36.477  2.8604 30.560  3.5671  47.136  4.7873 376.759 22.459 467.600 24.258 -90.84061      33.05850 
1 1 1 -3  39 8  o 232.430 21.416 11.681  2.0843 14.304  2.7796  8.3125  3.1502 256.245 25.974 190.552 40.297 65.69258       47.94230 
1 1 1 -3  39 9  o 348.493 21.828 26.186  3.2053 23.549  4.9975  28.029  4.1777 324.975 36.971 358.662 27.720 -33.68701      46.20859 
1 1 1 -3  39 10 o 315.099 22.234 21.466  2.9478 21.466  2.9478  0.0000  0.0000 315.099 22.234 ?       ?      0.000000       22.23364 
1 1 1 -3  39 11 o 248.394 19.624 13.322  2.0475 13.807  2.4774  12.278  3.6369 251.862 23.498 232.233 38.316 19.62875       44.94743 
1 1 1 -3  39 12 o 364.325 16.964 28.416  2.6173 25.266  3.1997  34.785  4.5498 341.518 22.245 398.890 27.094 -57.37180      35.05610 
1 1 1 -3  39 13 o 276.037 20.846 16.510  2.4189 15.988  2.9645  17.550  4.1844 269.816 26.278 278.484 36.347 -8.667999      44.85108 
1 1 1 -3  39 14 f 166.882 28.185 6.2513  1.9210 4.0601  2.3214  11.011  3.4215 132.561 38.846 218.471 38.382 -85.90950      54.60943 
1 1 1 -3  39 15 o 242.593 21.316 12.823  2.1677 10.356  2.7467  16.898  3.5298 214.312 31.178 274.821 30.862 -60.50961      43.86944 
1 1 1 -3  39 16 o 448.984 14.293 43.158  2.7177 41.600  3.9795  44.520  3.7205 437.805 21.464 453.944 19.353 -16.13910      28.90050 
1 1 1 -3  39 17 o 91.229  32.790 1.6637  1.6141 0.0000  0.0000  1.6637  1.6141 ?       ?      91.229  32.790 0.000000       32.78971 
1 1 1 -3  39 18 o 98.598  32.880 2.1476  1.6094 0.0000  0.0000  2.1476  1.6094 ?       ?      98.598  32.880 0.000000       32.88008 
1 1 1 -3  39 19 o 162.191 42.904 6.5463  2.9924 0.0000  0.0000  6.5463  2.9924 ?       ?      162.191 42.904 0.000000       42.90421 
1 1 1 -3  39 20 o 212.214 22.435 10.027  1.9857 6.9810  2.7757  13.221  2.8419 168.153 39.627 240.638 28.436 -72.48538      48.77458 
1 1 1 -3  39 21 o 180.704 22.174 7.3246  1.6613 6.9246  2.6255  7.5916  2.1453 167.242 37.941 180.601 29.033 -13.35938      47.77529 
1 1 1 -3  39 22 o 279.250 17.522 17.078  2.0616 11.532  3.0978  21.487  2.7621 218.975 34.551 311.103 21.090 -92.12866      40.47939 
1 1 1 -3  40 1  o 372.294 16.369 29.555  2.5808 34.186  4.6109  27.442  3.1143 396.956 27.600 357.423 20.663 39.53275       34.47794 
1 1 1 -3  40 2  o 383.080 16.860 31.306  2.7353 35.902  4.7849  29.076  3.3336 406.701 27.951 367.721 21.501 38.97998       35.26387 
1 1 1 -3  40 3  o 299.839 19.648 19.312  2.4811 19.384  4.7612  19.286  2.9069 294.344 39.169 298.804 23.153 -4.460480      45.49987 
1 1 1 -3  40 4  o 621.124 15.170 82.206  3.9902 82.304  7.1860  82.162  4.7978 617.090 27.498 620.084 18.271 -2.993591      33.01418 
1 1 1 -3  40 5  o 90.369  32.424 1.5321  1.5777 0.6767  3.2897  1.7876  1.7979 104.953 43.985 96.887  34.629 8.065369       55.98079 
1 1 1 -3  40 6  o 86.880  32.447 1.2806  1.6046 1.0960  3.9010  1.3182  1.7604 115.724 48.148 89.660  33.882 26.06436       58.87430 
1 1 1 -3  40 7  o 188.364 28.475 7.8620  2.2006 9.9802  3.6357  6.6374  2.7645 207.903 42.723 169.843 39.227 38.06067       57.99950 
1 1 1 -3  40 8  o 254.445 17.241 13.906  1.8468 12.911  2.9288  14.563  2.3795 241.936 29.174 259.316 21.872 -17.37985      36.46270 
1 1 1 -3  40 9  o 313.038 15.460 20.925  2.0495 18.402  3.2473  22.595  2.6423 290.017 26.741 323.971 19.347 -33.95407      33.00591 
1 1 1 -3  40 10 o 374.496 16.147 29.989  2.5608 34.506  3.2800  22.939  4.0980 400.865 19.321 322.293 30.383 78.57187       36.00616 
1 1 1 -3  40 11 o 261.990 16.186 14.741  1.7870 14.468  2.6385  14.973  2.4290 257.221 24.519 262.485 22.056 -5.263855      32.97892 
1 1 1 -3  40 12 o 229.352 20.973 11.437  2.0145 10.554  4.5338  11.654  2.2486 207.906 51.708 230.836 23.322 -22.93066      56.72470 
1 1 1 -3  40 13 o 196.041 25.075 8.4930  2.0341 7.3755  4.7592  8.7427  2.2499 173.796 56.475 198.113 27.564 -24.31683      62.84244 
1 1 1 -3  40 14 o 298.728 20.487 19.372  2.5761 18.946  5.6803  19.482  2.8905 279.704 49.779 298.621 23.034 -18.91766      54.85012 
1 1 1 -3  40 15 o 231.752 23.077 11.813  2.2348 8.6663  5.8117  12.359  2.4209 182.738 62.477 236.538 24.524 -53.79990      67.11750 
1 1 1 -3  40 16 o 352.394 19.226 26.989  2.8584 26.414  7.0015  27.103  3.1312 323.369 52.961 352.232 21.088 -28.86307      57.00496 
1 1 1 -3  40 17 o 97.605  28.402 2.1833  1.2448 0.5299  2.1623  3.0029  1.5224 84.448  35.540 113.383 30.874 -28.93465      47.07709 
1 1 1 -3  40 18 o 114.285 31.329 3.0663  1.5615 5.5191  2.4602  1.4117  2.0207 150.593 38.445 91.874  35.886 58.71883       52.59069 
1 1 1 -3  40 19 o 252.687 31.187 14.757  3.2665 14.757  3.2665  0.0000  0.0000 252.687 31.187 ?       ?      0.000000       31.18684 
1 1 1 -3  40 20 o 247.467 18.132 13.431  1.8870 17.539  3.1167  11.053  2.3709 277.556 26.851 220.443 25.890 57.11334       37.29977 
1 1 1 -3  40 21 o 106.341 29.984 2.6941  1.4086 2.7906  2.0550  2.6086  1.9347 108.723 37.151 105.630 36.047 3.092522       51.76503 
1 1 1 -3  40 22 o 127.531 26.641 3.8099  1.3925 -0.4613 2.0137  7.7235  1.9276 71.639  32.109 183.546 25.486 -111.9065      40.99406 
1 1 1 -3  41 1  o 480.080 15.393 49.165  3.1295 57.900  5.5477  45.088  3.7901 517.744 25.302 458.719 19.510 59.02527       31.95056 
1 1 1 -3  41 2  o 461.422 14.196 45.369  2.7740 46.167  4.0871  44.687  3.7772 463.790 20.809 456.657 19.532 7.132294       28.53955 
1 1 1 -3  41 3  o 288.191 16.257 17.790  1.9761 20.207  2.8743  15.623  2.7211 305.708 22.357 268.099 24.228 37.60892       32.96718 
1 1 1 -3  41 4  o 252.641 18.212 13.730  1.9355 10.245  3.1423  15.861  2.4568 212.878 36.148 270.808 21.602 -57.92947      42.11100 
1 1 1 -3  41 5  o 96.571  33.246 1.8923  1.6466 2.5339  2.7711  1.5422  2.0472 116.109 42.780 96.296  36.502 19.81284       56.23605 
1 1 1 -3  41 6  o 145.440 37.707 4.8726  2.3418 1.5620  3.6547  7.1788  3.0503 115.882 47.238 175.621 41.645 -59.73931      62.97445 
1 1 1 -3  41 7  o 272.650 17.572 15.982  2.0182 19.253  3.9071  14.792  2.3570 294.613 31.820 261.267 21.493 33.34558       38.39919 
1 1 1 -3  41 8  o 93.242  31.340 1.8126  1.4621 -0.3150 3.7756  2.1879  1.5859 103.223 45.220 100.682 32.591 2.540573       55.74031 
1 1 1 -3  41 9  o 166.473 25.887 6.1571  1.7657 7.1751  4.1083  5.9264  1.9556 172.783 51.940 162.167 29.565 10.61618       59.76500 
1 1 1 -3  41 10 o 206.675 31.309 9.6047  2.6545 0.0000  0.0000  9.6047  2.6545 ?       ?      206.675 31.309 0.000000       31.30904 
1 1 1 -3  41 11 o 300.002 18.204 19.408  2.3019 32.766  5.0633  15.928  2.5844 383.847 31.423 270.243 22.794 113.6041       38.82008 
1 1 1 -3  41 12 o 284.862 19.020 17.551  2.2813 13.568  4.9875  18.605  2.5654 235.178 51.504 292.724 20.830 -57.54588      55.55662 
1 1 1 -3  41 13 o 229.566 17.820 11.406  1.7188 10.406  2.5424  12.248  2.3327 215.573 28.551 236.050 23.654 -20.47685      37.07613 
1 1 1 -3  41 14 o 120.400 27.792 3.3244  1.3883 1.9220  2.0697  4.4714  1.8719 99.906  36.941 138.615 32.459 -38.70958      49.17579 
1 1 1 -3  41 15 o 212.530 20.247 9.9022  1.8003 8.0086  2.6675  11.486  2.4398 184.575 35.414 226.715 25.875 -42.14053      43.85946 
1 1 1 -3  41 16 o 76.777  31.456 0.6260  1.6309 0.8035  2.1522  0.3865  2.4996 86.954  35.936 88.057  37.677 -1.103104      52.06655 
1 1 1 -3  41 17 o 201.662 25.446 9.1538  2.1247 8.3041  2.7913  10.324  3.2763 186.260 36.692 206.880 38.821 -20.62061      53.41730 
1 1 1 -3  41 18 o 91.489  28.797 1.8968  1.2449 0.5542  2.1416  2.5820  1.5299 83.739  35.312 105.133 31.716 -21.39384      47.46423 
1 1 1 -3  41 19 o 127.310 37.811 4.0035  2.1869 4.0035  2.1869  0.0000  0.0000 127.310 37.811 ?       ?      0.000000       37.81085 
1 1 1 -3  41 20 o 113.498 28.888 3.0683  1.3920 4.3769  2.3860  2.3930  1.7139 131.494 39.595 101.351 33.932 30.14349       52.14532 
1 1 1 -3  41 21 o 173.036 21.924 6.7506  1.5705 4.4924  2.4214  8.3904  2.0634 132.720 39.870 190.843 26.224 -58.12288      47.72169 
1 1 1 -3  42 1  o 324.985 16.177 22.579  2.2265 20.465  3.4150  24.142  2.9363 305.853 26.631 334.377 20.840 -28.52380      33.81576 
1 1 1 -3  42 2  o 405.733 14.528 35.129  2.4963 30.464  3.7795  38.739  3.3247 374.641 23.947 425.058 18.470 -50.41660      30.24227 
1 1 1 -3  42 3  o 334.882 15.870 23.970  2.2506 25.392  3.5382  23.003  2.9167 341.617 24.622 326.210 21.229 15.40677       32.51005 
1 1 1 -3  42 4  o 90.510  32.405 1.5715  1.5750 4.0004  2.7302  0.3602  1.9281 133.345 42.720 80.446  33.692 52.89859       54.40748 
1 1 1 -3  42 5  o 257.824 18.067 14.322  1.9602 18.410  3.0235  11.358  2.5746 290.400 24.823 226.819 27.355 63.58105       36.93892 
1 1 1 -3  42 6  o 261.700 16.605 14.720  1.8308 12.872  2.9676  15.855  2.3263 240.680 29.749 270.635 20.448 -29.95563      36.09872 
1 1 1 -3  42 7  o 78.869  29.416 1.0716  1.3180 1.3983  2.1380  0.8714  1.6738 95.200  36.988 81.800  32.441 13.40059       49.19904 
1 1 1 -3  42 8  o 295.482 15.254 18.723  1.9023 15.908  2.8620  20.950  2.5462 269.248 25.400 311.435 19.402 -42.18735      31.96241 
1 1 1 -3  42 9  o 202.867 20.518 8.9657  1.7385 8.9539  2.9488  8.9720  2.1523 197.042 36.688 201.322 25.842 -4.280365      44.87522 
1 1 1 -3  42 10 o 239.903 23.379 12.611  2.3451 14.626  3.8994  11.469  2.9351 252.279 37.651 225.589 31.590 26.69006       49.14783 
1 1 1 -3  42 11 o 237.678 16.292 12.176  1.6300 9.4786  2.4934  14.188  2.1540 205.316 29.526 255.545 20.065 -50.22873      35.69836 
1 1 1 -3  42 12 o 62.278  26.301 0.1383  1.1910 0.9624  1.8044  -0.4978 1.5853 84.468  33.625 64.416  28.707 20.05273       44.21231 
1 1 1 -3  42 13 o 111.718 27.191 2.8655  1.2743 3.1030  1.8870  2.6665  1.7278 115.852 35.285 108.268 33.901 7.584358       48.93204 
1 1 1 -3  42 14 o 202.265 22.826 9.0701  1.9210 7.8467  2.5775  10.599  2.8813 182.823 34.557 214.093 32.826 -31.27013      47.66251 
1 1 1 -3  42 15 o 202.469 23.476 9.1402  1.9756 8.6923  2.5050  9.8769  3.2130 193.561 31.654 202.410 38.896 -8.848450      50.14902 
1 1 1 -3  42 16 o 175.171 25.660 6.9503  1.8471 5.8809  2.2987  8.8993  3.1032 156.493 35.500 190.973 39.667 -34.47990      53.23277 
1 1 1 -3  42 17 f 122.322 31.651 3.5576  1.6521 6.0099  2.5349  1.7468  2.1783 156.216 38.553 97.067  37.441 59.14889       53.74116 
1 1 1 -3  42 18 o 117.099 27.792 3.2271  1.3576 6.5520  2.1371  0.9779  1.7578 166.161 31.524 82.124  33.017 84.03690       45.64980 
1 1 1 -3  42 19 o 140.088 32.510 4.7649  1.8915 0.0000  0.0000  4.7649  1.8915 ?       ?      140.088 32.510 0.000000       32.51012 
1 1 1 -3  42 20 o 243.601 18.579 13.104  1.9022 11.962  3.1344  13.769  2.3934 222.174 34.427 247.007 23.150 -24.83362      41.48678 
1 1 1 -3  43 1  o 578.880 13.737 71.524  3.3676 75.216  5.0788  68.627  4.4988 590.865 20.297 565.082 18.799 25.78308       27.66559 
1 1 1 -3  43 2  o 580.533 13.620 71.925  3.3484 76.503  4.9745  68.132  4.5278 596.181 19.703 562.940 18.993 33.24078       27.36627 
1 1 1 -3  43 3  o 237.898 19.279 12.251  1.9256 12.956  2.9764  11.743  2.5253 241.212 29.769 230.729 26.316 10.48305       39.73275 
1 1 1 -3  43 4  o 222.969 24.388 10.917  2.2653 10.365  2.8663  11.835  3.6975 214.245 32.621 225.919 40.116 -11.67363      51.70484 
1 1 1 -3  43 5  o 302.351 15.692 19.620  2.0023 23.492  3.0251  16.600  2.6712 328.933 21.841 275.855 23.078 53.07816       31.77435 
1 1 1 -3  43 6  o 173.161 21.907 6.5835  1.5705 9.1797  2.6309  5.1463  1.9576 201.469 31.898 149.896 31.822 51.57265       45.05680 
1 1 1 -3  43 7  o 130.208 26.518 3.8322  1.4126 4.3529  2.2685  3.5024  1.8053 136.610 37.887 123.297 33.639 13.31326       50.66609 
1 1 1 -3  43 8  o 45.218  21.732 -1.7373 1.2148 -4.4439 2.0439  -0.2588 1.5106 51.526  25.476 65.241  28.591 -13.71455      38.29426 
1 1 1 -3  43 9  o 113.111 29.104 2.9296  1.4022 7.0440  2.3375  0.6168  1.7526 175.273 32.694 79.634  32.615 95.63922       46.18047 
1 1 1 -3  43 10 o 296.890 20.272 19.160  2.5336 20.315  3.7566  18.197  3.4315 301.333 29.829 285.594 28.764 15.73859       41.43840 
1 1 1 -3  43 11 o 95.318  27.441 2.0586  1.1676 2.1871  1.6971  1.9431  1.6090 100.413 33.764 95.799  32.871 4.614708       47.12216 
1 1 1 -3  43 12 o 386.240 16.153 32.121  2.6421 33.219  3.3779  30.392  4.2404 390.314 20.508 369.189 27.315 21.12473       34.15685 
1 1 1 -3  43 13 o 129.443 29.469 3.9012  1.5792 5.1510  2.1483  2.4320  2.3292 147.005 35.010 107.714 39.291 39.29099       52.62596 
1 1 1 -3  43 14 o 116.187 31.068 3.1781  1.5583 2.4960  2.1585  3.9205  2.2519 106.912 37.972 127.457 38.486 -20.54491      54.06531 
1 1 1 -3  43 15 o 215.827 21.650 10.325  1.9522 5.4098  2.9603  14.107  2.5968 146.515 44.100 250.961 24.757 -104.4465      50.57392 
1 1 1 -3  43 16 o 104.345 30.761 2.5531  1.4518 0.1403  2.1647  4.5257  1.9573 80.036  34.660 137.057 33.909 -57.02134      48.48832 
1 1 1 -3  43 17 o 135.887 28.055 4.3328  1.5610 2.2944  2.2938  6.0913  2.1304 103.794 38.788 159.336 32.669 -55.54182      50.71312 
1 1 1 -3  43 18 o 100.344 29.229 2.3889  1.3178 1.6092  2.3304  2.7554  1.5978 95.485  38.148 107.009 32.442 -11.52439      50.07738 
1 1 1 -3  43 19 o 189.938 26.976 8.3793  2.1089 0.0000  0.0000  8.3793  2.1089 ?       ?      189.938 26.976 0.000000       26.97636 
1 1 1 -3  43 20 o 83.417  29.730 1.4852  1.3243 -1.6886 2.2705  3.1216  1.6303 67.372  31.583 113.077 32.388 -45.70575      45.23798 
1 1 1 -3  44 1  o 278.707 16.822 16.728  1.9762 17.928  3.0746  15.883  2.5796 285.465 25.708 269.668 22.802 15.79688       34.36373 
1 1 1 -3  44 2  o 157.732 26.146 5.5694  1.6854 5.1921  2.8142  5.7804  2.1045 148.111 42.591 158.723 32.405 -10.61194      53.51680 
1 1 1 -3  44 3  o 237.410 19.577 12.233  1.9507 11.472  3.1898  12.687  2.4655 224.176 34.722 240.162 24.588 -15.98636      42.54606 
1 1 1 -3  44 4  o 120.408 30.988 3.3319  1.5894 0.4730  2.6310  4.9750  1.9945 92.300  39.042 146.809 32.896 -54.50952      51.05289 
1 1 1 -3  44 5  o 104.920 32.001 2.4753  1.5513 4.1963  2.5107  1.4127  1.9729 134.158 40.666 92.721  35.669 41.43751       54.09217 
1 1 1 -3  44 6  o 146.161 24.967 4.7850  1.4899 5.7650  2.3713  4.1458  1.9152 156.941 36.387 133.572 33.822 23.36900       49.67896 
1 1 1 -3  44 7  o 172.073 21.402 6.5119  1.5259 6.5870  2.5745  6.4712  1.8945 167.462 37.263 169.630 27.299 -2.167725      46.19275 
1 1 1 -3  44 8  o 213.008 20.727 9.9216  1.8461 12.396  2.5419  7.1600  2.6855 236.384 25.812 174.382 37.480 62.00204       45.50837 
1 1 1 -3  44 9  o 159.359 28.515 5.7800  1.8537 4.0207  2.5489  7.7553  2.7008 130.832 41.210 181.791 36.352 -50.95850      54.95187 
1 1 1 -3  44 10 o 167.604 34.340 6.5867  2.3555 0.0000  0.0000  6.5867  2.3555 ?       ?      167.604 34.340 0.000000       34.33985 
1 1 1 -3  44 11 o 67.790  28.014 0.3900  1.3078 1.3129  1.7980  -0.6466 1.9057 88.082  34.004 69.336  31.145 18.74597       46.11184 
1 1 1 -3  44 12 o 124.099 25.144 3.5254  1.2762 4.6197  1.8824  2.5946  1.7361 139.754 32.431 106.239 34.069 33.51493       47.03696 
1 1 1 -3  44 13 o 135.796 25.891 4.2307  1.4346 7.5801  2.2214  1.8346  1.8789 180.865 30.057 95.459  35.217 85.40617       46.30027 
1 1 1 -3  44 14 o 193.197 20.204 8.2515  1.6285 5.1682  2.4883  10.562  2.1539 144.456 39.527 217.143 23.814 -72.68794      46.14629 
1 1 1 -3  44 15 o 196.417 22.828 8.6458  1.8635 6.5881  2.9713  9.9799  2.3924 160.684 42.871 208.591 27.773 -47.90756      51.08099 
1 1 1 -3  44 16 o 95.725  32.561 2.0747  1.5785 2.4869  2.1727  1.6138  2.2971 105.226 38.014 95.704  37.989 9.521965       53.74191 
1 1 1 -3  44 17 o 153.907 25.090 5.4680  1.5790 3.7246  2.3577  6.8859  2.1262 121.706 39.759 169.913 30.678 -48.20663      50.21827 
1 1 1 -3  44 18 o 101.791 28.827 2.4779  1.2990 -0.1501 2.3436  3.6433  1.5607 78.941  35.058 122.662 30.237 -43.72118      46.29658 
1 1 1 -3  44 19 o 84.506  31.939 1.4091  1.5645 0.0000  0.0000  1.4091  1.5645 ?       ?      84.506  31.939 0.000000       31.93899 
1 1 1 -3  45 1  f 101.089 36.177 2.0673  1.9628 3.8564  2.6021  -0.2944 2.9897 129.290 41.736 91.125  40.071 38.16521       57.85830 
1 1 1 -3  45 2  f 193.322 26.294 8.3397  2.0969 10.816  2.8293  5.3225  3.1233 218.367 31.506 148.904 45.406 69.46242       55.26586 
1 1 1 -3  45 3  o 398.982 17.156 34.247  2.8988 27.115  3.8290  43.824  4.4369 350.607 25.973 447.703 23.483 -97.09564      35.01510 
1 1 1 -3  45 4  o 170.048 29.678 6.5797  2.0595 4.7491  2.8480  8.5862  2.9817 141.291 43.408 191.039 38.190 -49.74783      57.81632 
1 1 1 -3  45 5  o 316.156 18.565 21.650  2.4747 26.216  3.3656  16.275  3.6515 345.941 23.106 267.477 32.932 78.46417       40.22894 
1 1 1 -3  45 6  o 120.852 32.926 3.4005  1.7310 7.6071  2.5068  -0.4328 2.3930 181.060 33.940 80.406  35.581 100.6540       49.17265 
1 1 1 -3  45 7  o 157.134 27.081 5.5979  1.7371 5.6988  2.5257  5.5073  2.3929 154.217 38.727 152.031 37.419 2.185883       53.85084 
1 1 1 -3  45 8  f 80.723  30.843 1.0980  1.4690 -1.7958 2.1727  3.5347  1.9937 66.555  31.102 122.492 36.029 -55.93694      47.59691 
1 1 1 -3  45 9  o 128.619 26.318 3.7922  1.3852 -0.1041 2.2327  6.2303  1.7662 79.783  34.867 165.912 25.991 -86.12884      43.48816 
1 1 1 -3  45 10 o 122.338 28.145 3.4797  1.4279 7.5381  2.8520  2.1222  1.6495 175.850 39.287 98.110  33.285 77.74097       51.49160 
1 1 1 -3  45 11 o 224.723 17.888 11.033  1.6883 12.679  2.9455  10.227  2.0603 234.629 30.356 214.140 23.084 20.48967       38.13561 
1 1 1 -3  45 12 o 182.111 21.864 7.3935  1.6525 6.8681  2.6827  7.7148  2.0977 167.178 38.662 183.331 27.899 -16.15236      47.67767 
1 1 1 -3  45 13 o 105.932 29.752 2.6389  1.3897 1.4148  2.0402  3.6985  1.8981 91.398  35.952 123.715 34.780 -32.31683      50.02194 
1 1 1 -3  45 14 o 119.175 26.968 3.3230  1.3293 3.6860  1.8994  2.9745  1.8610 123.072 34.858 111.576 35.220 11.49681       49.55365 
1 1 1 -3  45 15 o 351.551 16.038 26.866  2.3877 22.643  3.4481  30.756  3.3095 315.264 26.060 372.132 21.087 -56.86774      33.52301 
1 1 1 -3  45 16 o 128.188 29.938 3.9597  1.5958 4.4328  2.3081  3.5265  2.2088 131.635 38.781 118.641 38.469 12.99387       54.62391 
1 1 1 -3  45 17 o 201.221 22.411 9.1720  1.8773 10.357  2.7243  8.1008  2.5906 207.374 32.055 180.851 35.090 26.52348       47.52711 
1 1 1 -3  45 18 o 174.665 30.523 7.3186  2.1756 8.4681  2.7686  5.4632  3.5176 183.461 36.913 140.084 48.572 43.37711       61.00681 
1 1 1 -3  46 1  o 174.410 32.062 7.0337  2.2809 10.383  3.7407  5.0514  2.8778 206.083 44.187 144.265 43.494 61.81853       62.00217 
1 1 1 -3  46 2  o 162.180 28.968 6.0132  1.9166 8.7490  4.1902  5.2894  2.1552 184.816 51.576 149.780 34.664 35.03673       62.14241 
1 1 1 -3  46 3  f 183.434 26.840 7.5866  2.0233 8.1047  4.6036  7.4625  2.2525 176.354 55.356 180.330 30.589 -3.975967      63.24556 
1 1 1 -3  46 4  o 108.742 35.314 2.6819  1.8610 3.8361  3.7073  2.2931  2.1517 132.241 49.333 104.972 37.844 27.26980       62.17632 
1 1 1 -3  46 5  f 476.937 15.515 48.955  3.1337 57.378  6.1011  45.936  3.6522 505.997 28.589 460.301 18.736 45.69586       34.18125 
1 1 1 -3  46 6  o 78.750  31.214 0.8835  1.5487 2.5140  3.4115  0.4602  1.7382 117.208 46.367 76.760  32.055 40.44818       56.36902 
1 1 1 -3  46 7  o 123.427 31.539 3.5910  1.6547 5.5176  3.3948  2.9906  1.8950 148.033 47.659 113.136 35.516 34.89692       59.43710 
1 1 1 -3  46 8  o 121.649 29.235 3.4653  1.4874 11.138  2.7776  0.3804  1.7613 219.727 30.687 75.984  32.031 143.7434       44.35895 
1 1 1 -3  46 9  o 215.088 19.146 10.164  1.7257 9.8400  3.1769  10.299  2.0554 201.136 38.701 214.871 22.942 -13.73524      44.99025 
1 1 1 -3  46 10 o 105.376 28.946 2.6022  1.3314 2.2238  2.7323  2.7201  1.5247 107.349 41.785 107.478 31.478 -0.1283722     52.31433 
1 1 1 -3  46 11 o 166.391 21.511 6.1881  1.4803 8.1083  2.4535  5.0890  1.8562 185.276 32.452 146.718 30.854 38.55846       44.77841 
1 1 1 -3  46 12 o 75.083  28.021 1.0469  1.1962 0.2823  1.9978  1.4743  1.4936 78.389  33.616 85.725  31.434 -7.335846      46.02298 
1 1 1 -3  46 13 o 59.007  25.564 -0.0245 1.1785 0.7911  1.7155  -0.7534 1.6218 79.058  32.311 61.772  28.138 17.28593       42.84566 
1 1 1 -3  46 14 o 133.493 25.870 4.1590  1.4097 1.6698  2.1461  6.0483  1.8697 94.195  36.930 160.184 28.611 -65.98899      46.71599 
1 1 1 -3  46 15 o 226.980 19.075 11.443  1.8166 10.869  2.6826  11.930  2.4688 213.773 30.496 227.314 26.121 -13.54192      40.15345 
1 1 1 -3  46 16 o 197.178 23.095 8.8617  1.8920 4.2613  2.6372  13.741  2.7159 127.344 42.072 243.206 26.815 -115.8620      49.89046 
1 1 1 -3  46 17 o 97.281  32.211 2.2459  1.5455 6.1593  2.1451  -1.9781 2.2286 158.029 33.113 64.596  30.590 93.43391       45.08006 
1 1 1 -3  47 1  o 164.392 35.379 6.4605  2.3900 6.2594  4.2712  6.5522  2.8838 155.350 53.542 162.443 41.706 -7.092789      67.86870 
1 1 1 -3  47 2  o 197.590 33.870 9.1785  2.7322 6.2003  4.2914  11.209  3.5431 154.721 53.649 214.554 40.479 -59.83298      67.20669 
1 1 1 -3  47 3  o 195.110 33.720 8.9542  2.6854 4.8969  4.2421  11.667  3.4690 142.159 52.823 220.128 38.621 -77.96883      65.43575 
1 1 1 -3  47 4  o 99.740  39.440 1.6885  2.4672 -1.8996 4.0948  3.7335  3.0914 94.226  43.573 126.531 45.389 -32.30569      62.91881 
1 1 1 -3  47 5  o 137.032 35.749 4.5439  2.0964 10.545  2.6843  -4.8387 3.3565 213.564 30.551 71.805  34.895 141.7580       46.37898 
1 1 1 -3  47 6  o 119.852 29.898 3.3877  1.5125 5.9968  2.4175  1.7096  1.9388 156.843 36.996 94.176  35.564 62.66669       51.31810 
1 1 1 -3  47 7  o 138.659 26.019 4.4251  1.4717 2.8452  2.3120  5.5013  1.9083 111.716 39.339 152.958 30.529 -41.24193      49.79559 
1 1 1 -3  47 8  o 176.401 23.536 7.0116  1.7144 6.4400  3.1498  7.2522  2.0436 157.933 44.944 177.254 28.167 -19.32138      53.04092 
1 1 1 -3  47 9  o 152.317 22.371 5.2268  1.4000 0.6219  2.3391  7.7972  1.7476 86.775  36.765 186.480 22.591 -99.70443      43.15089 
1 1 1 -3  47 10 o 89.443  30.210 1.7731  1.3587 4.2629  2.6566  0.8913  1.5811 130.451 42.177 78.488  31.399 51.96238       52.58137 
1 1 1 -3  47 11 o 71.430  28.136 0.7769  1.2512 2.5109  2.1826  -0.0717 1.5270 105.667 38.112 66.115  28.865 39.55231       47.80930 
1 1 1 -3  47 12 o 121.630 25.995 3.4653  1.2984 3.8855  2.0134  3.1661  1.6988 124.970 36.051 114.016 33.179 10.95412       48.99514 
1 1 1 -3  47 13 o 146.298 24.067 4.9337  1.4392 4.9889  2.1723  4.8906  1.9215 140.640 36.245 141.133 32.777 -0.4934082     48.86720 
1 1 1 -3  47 14 o 74.741  28.633 1.0192  1.2680 3.3364  1.7680  -1.4352 1.8196 115.760 33.895 60.232  28.248 55.52807       44.12259 
1 1 1 -3  47 15 o 74.221  31.305 0.5054  1.6838 -1.1596 2.0020  4.5308  3.1129 65.445  30.335 129.459 45.641 -64.01398      54.80272 
1 1 1 -3  47 16 o 70.824  30.983 0.0425  1.7669 1.1303  2.0045  -3.7464 3.7410 85.497  34.933 78.445  37.809 7.052078       51.47686 
1 1 1 -3  48 1  o 155.507 26.761 5.5667  1.6988 4.2252  3.7517  5.9126  1.9053 132.643 49.599 159.159 29.349 -26.51682      57.63148 
1 1 1 -3  48 2  o 108.366 34.677 2.7604  1.7994 7.4055  3.5486  1.1527  2.0876 167.617 47.707 88.908  35.898 78.70883       59.70438 
1 1 1 -3  48 3  o 181.383 22.787 7.3840  1.7117 5.6388  2.8403  8.3793  2.1450 148.833 42.784 191.184 27.265 -42.35115      50.73333 
1 1 1 -3  48 4  o 114.503 33.064 3.1365  1.6928 1.9407  2.7425  3.8726  2.1517 104.130 41.453 125.756 37.540 -21.62599      55.92516 
1 1 1 -3  48 5  o 292.017 20.896 18.855  2.5671 16.092  3.3718  22.665  3.9593 263.232 30.831 313.357 30.209 -50.12576      43.16444 
1 1 1 -3  48 6  o 193.584 26.782 8.5839  2.1368 9.7202  2.7834  6.9532  3.3346 202.024 33.722 162.697 46.224 39.32700       57.21761 
1 1 1 -3  48 7  o 115.327 35.155 3.2102  1.8724 2.7653  2.4463  3.8397  2.9096 110.728 40.285 125.360 44.133 -14.63183      59.75502 
1 1 1 -3  48 8  f 119.757 34.278 3.4873  1.8267 1.2750  2.3812  6.6509  2.8475 93.215  38.079 161.374 41.449 -68.15932      56.28501 
1 1 1 -3  48 9  o 178.967 26.250 7.3714  1.9304 4.6179  2.5245  11.248  2.9956 134.674 40.767 216.670 33.745 -81.99576      52.92169 
1 1 1 -3  48 10 o 72.388  30.550 0.3985  1.6050 -0.8083 2.1685  1.8607  2.3869 71.529  32.564 98.682  38.865 -27.15257      50.70422 
1 1 1 -3  48 11 o 114.413 39.291 3.2353  2.2990 3.6599  4.3238  3.0680  2.7146 125.390 51.278 113.554 42.243 11.83612       66.43700 
1 1 1 -3  48 12 o 142.010 31.112 4.9178  1.8193 3.8538  2.2133  7.1348  3.1948 122.576 38.367 161.203 45.052 -38.62783      59.17568 
1 1 1 -3  48 13 o 70.762  30.367 0.2702  1.6323 1.3612  1.9666  -2.1462 2.9268 87.659  35.036 74.555  35.231 13.10381       49.68598 
1 1 1 -3  48 14 o 77.913  31.782 0.8752  1.6558 -0.4937 1.9778  4.0829  3.0275 69.718  31.484 123.896 44.856 -54.17824      54.80247 
1 1 1 -3  48 15 o 85.348  33.727 1.3306  1.8032 -0.1886 2.1248  5.2415  3.4092 74.522  33.221 136.103 47.782 -61.58103      58.19606 
1 1 1 -3  49 1  o 66.467  28.741 0.0385  1.4840 -2.6025 2.6338  1.2669  1.7962 69.225  32.918 86.155  33.783 -16.92996      47.16925 
1 1 1 -3  49 2  o 106.459 31.524 2.6953  1.5218 -0.2209 2.5372  4.3341  1.9019 82.231  36.501 133.494 33.652 -51.26347      49.64640 
1 1 1 -3  49 3  o 157.260 27.835 5.7604  1.7859 6.0371  3.7233  5.6778  2.0354 149.580 50.013 153.842 32.271 -4.261765      59.52044 
1 1 1 -3  49 4  o 157.535 31.100 5.9063  2.0012 7.9159  3.8957  5.1859  2.3325 169.500 50.494 144.027 37.774 25.47348       63.05915 
1 1 1 -3  49 5  o 192.718 24.071 8.4248  1.9217 7.5300  4.2782  8.6510  2.1508 162.962 53.574 193.757 26.941 -30.79472      59.96646 
1 1 1 -3  49 6  o 173.453 25.091 6.8927  1.7895 8.7881  3.4860  6.2144  2.0852 182.232 45.351 161.061 31.701 21.17134       55.33239 
1 1 1 -3  49 7  o 138.992 29.071 4.5906  1.6562 -4.4322 3.5113  7.1722  1.8782 74.170  35.963 176.367 25.920 -102.1966      44.33001 
1 1 1 -3  49 8  o 136.140 31.608 4.5069  1.7873 7.2553  4.1175  3.8688  1.9839 158.272 52.583 124.381 35.758 33.89028       63.58969 
1 1 1 -3  49 9  o 152.685 29.812 5.5927  1.8585 10.097  4.4351  4.6333  2.0469 184.418 53.594 135.718 35.285 48.69991       64.16712 
1 1 1 -3  49 10 o 67.883  28.199 0.4697  1.3351 -0.4798 4.2346  0.5745  1.4069 98.029  44.960 70.497  29.088 27.53147       53.54883 
1 1 1 -3  49 11 o 58.273  26.339 -0.4877 1.3877 4.0542  4.4361  -0.9804 1.4611 126.142 51.803 55.698  25.852 70.44398       57.89505 
1 1 1 -3  49 12 o 78.269  31.301 1.0053  1.5707 10.884  4.4941  -0.3694 1.6764 188.316 53.718 65.195  29.253 123.1211       61.16669 
1 1 1 -3  49 13 o 136.457 30.992 4.5924  1.7501 12.302  5.0063  3.5190  1.8680 195.949 56.940 117.549 34.953 78.39964       66.81188 
1 1 1 -3  50 1  o 70.709  29.715 0.4107  1.5081 2.4965  2.7055  -0.5296 1.8164 107.695 41.674 67.213  30.279 40.48242       51.51233 
1 1 1 -3  50 2  o 121.384 34.255 3.6431  1.8377 1.6265  4.1411  4.1377  2.0506 110.847 47.971 128.463 36.162 -17.61546      60.07441 
1 1 1 -3  50 3  o 175.580 24.102 7.0543  1.7448 6.9237  3.0011  7.1210  2.1445 161.680 43.061 172.805 30.415 -11.12514      52.71914 
1 1 1 -3  50 4  o 143.161 30.139 4.9275  1.7695 4.2343  2.8623  5.3563  2.2511 127.631 43.840 145.701 36.547 -18.06962      57.07561 
1 1 1 -3  50 5  o 158.328 26.067 5.8426  1.6870 6.8790  2.8854  5.3043  2.0794 161.452 41.854 146.143 34.203 15.30875       54.05175 
1 1 1 -3  50 6  o 128.370 28.666 3.9589  1.5190 2.7173  2.6762  4.5489  1.8449 108.918 41.627 135.772 32.516 -26.85349      52.82177 
1 1 1 -3  50 7  o 195.050 20.785 8.5709  1.6904 14.772  2.8993  5.3773  2.0806 251.216 27.714 146.615 34.146 104.6011       43.97734 
1 1 1 -3  50 8  o 136.783 28.708 4.5107  1.6099 3.5047  2.8119  5.0012  1.9636 117.262 43.110 141.442 33.329 -24.18030      54.49132 
1 1 1 -3  50 9  f 210.236 22.635 10.094  1.9835 12.344  4.6584  9.5954  2.1921 201.425 53.650 202.534 26.170 -1.109009      59.69253 
1 1 1 -3  50 10 o 168.273 25.511 6.6367  1.7610 7.7213  4.5123  6.4419  1.9126 155.290 54.929 163.782 28.617 -8.491730      61.93637 
1 1 1 -3  50 11 o 85.084  34.052 1.2913  1.8604 -3.9481 4.3995  2.4323  2.0530 84.188  40.683 101.078 36.886 -16.89010      54.91470 
1 1 1 -3  50 12 o 198.026 21.064 8.8999  1.7394 12.074  3.0003  7.2931  2.1347 221.086 33.060 173.184 30.204 47.90123       44.78020 
1 1 1 -3  51 1  o 116.541 32.810 3.3890  1.6879 0.0017  2.9545  5.0304  2.0566 87.205  39.002 141.050 34.674 -53.84569      52.18731 
1 1 1 -3  51 2  o 67.916  29.571 0.0722  1.5928 -1.6520 2.8395  0.8638  1.9240 75.737  35.445 81.449  33.844 -5.712051      49.00822 
1 1 1 -3  51 3  o 68.615  29.532 0.2126  1.5521 0.4366  2.7883  0.1121  1.8684 88.249  38.755 73.036  31.907 15.21342       50.19982 
1 1 1 -3  51 4  o 166.950 26.391 6.5593  1.8039 3.8337  2.9227  8.2366  2.2927 120.797 44.020 184.632 30.379 -63.83495      53.48533 
1 1 1 -3  51 5  o 114.178 30.928 3.2278  1.5325 4.8458  2.5319  2.2923  1.9252 134.158 40.876 98.849  35.773 35.30884       54.31841 
1 1 1 -3  51 6  o 62.769  27.332 0.0298  1.3609 -0.2994 2.6058  0.1532  1.5957 80.293  36.210 68.564  29.725 11.72918       46.84853 
1 1 1 -3  51 7  o 92.825  31.604 2.0412  1.4870 -0.2131 2.7358  2.9866  1.7716 82.422  37.143 108.823 34.365 -26.40170      50.60174 
1 1 1 -3  51 8  o 139.907 28.460 4.7443  1.6289 2.4828  2.7531  5.9622  2.0204 104.885 41.603 154.966 31.851 -50.08034      52.39525 
1 1 1 -3  51 9  o 83.417  31.197 1.4674  1.4844 0.8708  2.4805  1.8003  1.8528 87.429  37.474 91.212  34.690 -3.782501      51.06535 
1 1 1 -3  51 10 o 75.066  28.719 1.0775  1.2746 0.9745  2.3993  1.1180  1.5045 87.403  37.143 78.524  30.878 8.878639       48.30148 
1 1 1 -3  52 1  o 91.427  31.851 1.9607  1.5134 -5.9457 2.9448  4.7986  1.7643 59.813  29.745 139.241 30.742 -79.42781      42.77652 
1 1 1 -3  52 2  o 130.523 32.188 4.2863  1.7680 3.4298  2.9594  4.7616  2.2047 115.179 43.833 134.322 37.386 -19.14292      57.61091 
1 1 1 -3  52 3  o 68.961  29.795 0.2192  1.5923 -0.5923 2.7778  0.6163  1.9432 80.197  36.644 78.434  33.381 1.763489       49.56916 
1 1 1 -3  52 4  o 240.546 19.153 12.979  1.9349 14.520  3.2564  12.138  2.4056 242.563 32.520 227.910 25.354 14.65297       41.23540 
1 1 1 -3  52 5  o 135.440 28.172 4.4567  1.5633 5.3052  2.7655  4.0582  1.8951 137.560 42.860 125.408 34.570 12.15196       55.06403 
1 1 1 -3  52 6  o 67.537  28.857 0.3058  1.4627 0.2208  2.4568  0.3524  1.8204 81.580  36.079 73.915  31.897 7.665016       48.15707 
1 1 1 -3  52 7  o 143.839 26.578 4.9507  1.5593 6.5996  2.8084  4.2159  1.8749 154.313 41.897 128.060 34.001 26.25369       53.95818 
1 1 1 -3  52 8  o 56.889  25.888 -0.5480 1.3685 0.1502  2.5804  -0.8212 1.6141 82.506  36.707 59.799  27.548 22.70667       45.89485 
1 1 1 -3  53 1  o 130.285 36.273 4.4740  2.0752 4.2534  3.0953  4.6541  2.7968 123.096 45.234 128.471 43.344 -5.375336      62.64818 
1 1 1 -3  53 2  o 148.990 33.799 5.6748  2.0836 1.4330  3.1165  9.1032  2.8018 97.220  41.845 187.238 36.646 -90.01826      55.62325 
1 1 1 -3  53 3  o 59.357  28.252 -1.8525 1.9485 -2.5823 2.8901  -1.2442 2.6384 70.786  33.886 74.026  34.486 -3.239677      48.34826 
1 1 1 -3  53 4  o 59.457  27.558 -0.9530 1.6519 -0.3750 2.8875  -1.2342 2.0140 82.413  37.542 64.298  30.013 18.11579       48.06407 
1 1 1 -3  53 5  o 184.697 26.756 8.1263  2.0318 11.647  2.8764  4.6198  2.8705 216.444 32.375 127.598 43.898 88.84607       54.54539 
1 1 1 -2  0  1  o 221.423 21.081 10.683  1.9356 10.672  2.7278  10.694  2.7471 217.486 31.550 217.617 31.791 0.000000       0.000000 
1 1 1 -2  0  2  o 128.548 23.152 3.8290  1.1389 4.2251  1.5969  3.4190  1.6247 129.780 33.621 111.119 38.336 0.000000       0.000000 
1 1 1 -2  0  3  o 103.946 22.527 2.5895  0.8694 3.4748  1.1837  1.5524  1.2812 120.070 26.630 70.407  35.203 0.000000       0.000000 
1 1 1 -2  0  4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  0  5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  0  6  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  0  7  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  0  8  o 273.653 30.004 16.489  3.3708 0.0000  0.0000  16.489  3.3708 273.653 30.004 273.653 30.004 0.000000       0.000000 
1 1 1 -2  0  9  o 1079.97 33.737 249.231 15.395 0.0000  0.0000  249.231 15.395 1079.97 33.737 1079.97 33.737 0.000000       0.000000 
1 1 1 -2  0  10 o 416.969 30.197 37.594  5.2680 0.0000  0.0000  37.594  5.2680 416.969 30.197 416.969 30.197 0.000000       0.000000 
1 1 1 -2  0  11 o 204.000 34.068 9.5789  2.6964 0.0000  0.0000  9.5789  2.6964 204.000 34.068 204.000 34.068 0.000000       0.000000 
1 1 1 -2  0  12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  0  13 o 149.396 40.193 5.6919  2.1976 5.6919  2.1976  0.0000  0.0000 149.396 40.193 149.396 40.193 -0.000000      0.000000 
1 1 1 -2  0  14 o 491.411 30.998 52.136  6.3921 52.136  6.3921  0.0000  0.0000 491.411 30.998 491.411 30.998 -0.000000      0.000000 
1 1 1 -2  0  15 o 402.862 31.122 35.189  5.2368 0.0000  0.0000  35.189  5.2368 402.862 31.122 402.862 31.122 0.000000       0.000000 
1 1 1 -2  0  16 o 201.716 36.734 9.4724  2.8298 0.0000  0.0000  9.4724  2.8298 201.716 36.734 201.716 36.734 0.000000       0.000000 
1 1 1 -2  0  17 o 503.311 31.427 54.467  6.6388 54.467  6.6388  0.0000  0.0000 503.311 31.427 503.311 31.427 -0.000000      0.000000 
1 1 1 -2  0  18 o 597.967 31.904 76.622  8.0266 0.0000  0.0000  76.622  8.0266 597.967 31.904 597.967 31.904 0.000000       0.000000 
1 1 1 -2  0  19 o 100.812 44.709 3.1174  2.0148 0.0000  0.0000  3.1174  2.0148 100.812 44.709 100.812 44.709 0.000000       0.000000 
1 1 1 -2  0  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  0  21 o 941.758 34.235 189.550 13.613 189.550 13.613  0.0000  0.0000 941.758 34.235 941.758 34.235 -0.000000      0.000000 
1 1 1 -2  0  22 o 611.812 32.573 80.356  8.3849 0.0000  0.0000  80.356  8.3849 611.812 32.573 611.812 32.573 0.000000       0.000000 
1 1 1 -2  0  23 o 1185.32 36.468 300.482 18.266 300.482 18.266  0.0000  0.0000 1185.32 36.468 1185.32 36.468 -0.000000      0.000000 
1 1 1 -2  0  24 o 482.193 32.864 50.236  6.6393 50.236  6.6393  0.0000  0.0000 482.193 32.864 482.193 32.864 -0.000000      0.000000 
1 1 1 -2  0  25 o 961.548 34.984 198.436 14.203 198.436 14.203  0.0000  0.0000 961.548 34.984 961.548 34.984 -0.000000      0.000000 
1 1 1 -2  0  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  0  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  0  28 o 85.932  44.402 2.3517  2.0771 0.0000  0.0000  2.3517  2.0771 85.932  44.402 85.932  44.402 0.000000       0.000000 
1 1 1 -2  0  29 o 75.134  42.721 1.6387  2.1158 0.0000  0.0000  1.6387  2.1158 75.134  42.721 75.134  42.721 0.000000       0.000000 
1 1 1 -2  0  30 o 305.586 36.238 21.089  4.5159 0.0000  0.0000  21.089  4.5159 305.586 36.238 305.586 36.238 0.000000       0.000000 
1 1 1 -2  0  31 o 135.660 53.922 5.6440  2.9912 5.6440  2.9912  0.0000  0.0000 135.660 53.922 135.660 53.922 -0.000000      0.000000 
1 1 1 -2  0  32 o 259.502 44.082 16.084  4.4247 0.0000  0.0000  16.084  4.4247 259.502 44.082 259.502 44.082 0.000000       0.000000 
1 1 1 -2  1  1  f 73.038  15.452 1.1752  0.4630 1.2283  0.6544  1.1220  0.6552 74.773  20.193 71.805  20.522 2.967987       28.79053 
1 1 1 -2  1  2  o 485.774 14.109 50.065  2.9025 49.251  4.0637  50.914  4.1470 481.335 19.936 489.385 20.010 -8.049744      28.24556 
1 1 1 -2  1  3  o 285.106 12.939 17.240  1.5623 13.604  2.1757  21.111  2.2446 252.112 20.557 314.860 16.896 -62.74797      26.60944 
1 1 1 -2  1  4  o 178.706 12.502 6.8058  0.9402 7.3176  1.3103  6.2627  1.3498 184.869 16.925 170.628 19.003 14.24036       25.44724 
1 1 1 -2  1  5  o 1120.96 26.115 267.868 12.397 0.0000  0.0000  267.868 12.397 ?       ?      1120.96 26.115 0.000000       26.11479 
1 1 1 -2  1  6  o 421.652 29.557 38.152  5.2444 38.152  5.2444  0.0000  0.0000 421.652 29.557 ?       ?      0.000000       29.55672 
1 1 1 -2  1  7  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  1  8  o 649.434 21.339 89.719  5.8690 91.697  8.3955  87.829  8.2076 655.032 30.265 641.076 30.232 13.95612       42.77770 
1 1 1 -2  1  9  o 268.344 20.670 15.409  2.3309 14.285  3.3414  16.475  3.2531 256.487 31.420 276.324 28.194 -19.83615      42.21479 
1 1 1 -2  1  10 o 374.672 16.840 29.830  2.6720 30.049  4.6944  29.724  3.2497 373.475 29.933 373.118 20.646 0.3566589      36.36250 
1 1 1 -2  1  11 o 159.529 22.270 5.5304  1.4635 5.8915  2.0883  5.1818  2.0516 162.987 31.394 152.419 32.760 10.56818       45.37407 
1 1 1 -2  1  12 o 373.057 29.558 30.094  4.6315 0.0000  0.0000  30.094  4.6315 ?       ?      373.057 29.558 0.000000       29.55807 
1 1 1 -2  1  13 o 404.685 17.221 34.865  2.9513 36.085  5.1752  34.276  3.5928 408.400 30.136 400.140 21.278 8.259277       36.89072 
1 1 1 -2  1  14 o 618.786 17.756 81.494  4.6529 80.431  8.1479  82.009  5.6679 610.571 31.620 619.977 21.588 -9.405762      38.28623 
1 1 1 -2  1  15 o 199.717 18.467 8.5548  1.5442 9.6828  2.6751  7.9911  1.8911 210.376 30.952 192.136 23.747 18.23990       39.01163 
1 1 1 -2  1  16 o 334.772 21.980 23.944  3.0989 26.172  4.4017  21.754  4.3634 348.771 30.096 317.193 32.965 31.57816       44.63719 
1 1 1 -2  1  17 o 503.688 22.053 53.923  4.7040 48.115  6.6662  59.683  6.6388 473.484 33.461 528.266 29.797 -54.78162      44.80472 
1 1 1 -2  1  18 o 740.058 22.816 116.390 7.1508 114.593 10.146  118.164 10.080 732.928 32.689 744.381 31.975 -11.45258      45.72653 
1 1 1 -2  1  19 o 409.305 22.464 35.709  3.8790 34.119  5.4357  37.359  5.5373 398.607 32.483 417.380 31.561 -18.77255      45.29034 
1 1 1 -2  1  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  1  21 o 584.380 22.604 72.652  5.5941 76.552  7.9730  68.870  7.8509 597.710 31.611 566.568 32.862 31.14276       45.59779 
1 1 1 -2  1  22 o 636.257 22.905 86.180  6.1718 85.360  8.7620  86.987  8.6947 630.601 32.924 636.745 32.350 -6.144043      46.15770 
1 1 1 -2  1  23 o 1089.41 25.065 253.017 11.564 247.947 16.359  258.081 16.348 1074.59 35.948 1096.64 35.201 -22.05286      50.31263 
1 1 1 -2  1  24 o 575.137 23.017 70.499  5.6062 71.186  7.9291  69.812  7.9275 575.149 32.689 569.462 33.014 5.687073       46.45933 
1 1 1 -2  1  25 o 538.687 23.047 61.963  5.2576 65.774  7.4625  58.207  7.4085 551.969 32.063 518.538 33.924 33.43079       46.67833 
1 1 1 -2  1  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  1  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  1  28 o 201.017 26.532 8.8663  2.2034 9.0729  3.0897  8.6525  3.1431 200.056 37.855 194.766 39.459 5.290680       54.68163 
1 1 1 -2  1  29 o 217.207 25.975 10.368  2.3419 9.4880  3.3081  11.251  3.3158 202.865 39.928 222.751 36.408 -19.88580      54.03532 
1 1 1 -2  1  30 o 68.946  28.472 0.3514  1.3496 -0.5662 1.8348  1.4332  1.9921 69.587  30.957 93.742  35.894 -24.15540      47.39930 
1 1 1 -2  1  31 o 329.824 25.356 23.900  3.5145 23.032  4.8601  24.851  5.0884 317.538 36.825 329.801 37.075 -12.26355      52.25545 
1 1 1 -2  1  32 o 380.986 24.922 31.926  3.9988 35.378  5.6076  28.353  5.7039 395.088 33.842 349.557 39.207 45.53152       51.79248 
1 1 1 -2  2  1  o 339.451 19.011 24.562  2.7219 23.429  3.8058  25.749  3.8945 330.290 27.458 346.478 26.749 -16.18814      38.33319 
1 1 1 -2  2  2  o 306.664 17.277 20.035  2.2346 20.672  3.1122  19.357  3.2104 310.680 23.836 300.329 25.482 10.35114       34.89274 
1 1 1 -2  2  3  o 631.766 16.523 84.742  4.4206 84.750  6.0592  84.734  6.4639 631.041 22.673 630.762 24.198 0.2793579      33.16058 
1 1 1 -2  2  4  o 525.193 10.643 58.471  2.3672 63.501  3.3273  53.315  3.3685 547.064 14.362 501.161 15.872 45.90289       21.40488 
1 1 1 -2  2  5  o 331.745 12.562 23.340  1.7648 28.930  2.9224  20.131  2.2142 368.512 18.788 307.424 17.074 61.08771       25.38766 
1 1 1 -2  2  6  o 260.927 20.143 14.559  2.2085 14.911  3.0679  14.182  3.1819 262.896 27.987 255.970 29.917 6.925949       40.96686 
1 1 1 -2  2  7  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  2  8  o 771.464 22.062 126.648 7.2079 126.967 10.234  126.333 10.153 770.495 31.365 768.609 31.193 1.886230       44.23507 
1 1 1 -2  2  9  o 288.434 20.871 17.793  2.5322 14.527  3.6060  20.969  3.5566 258.182 33.792 312.255 27.166 -54.07281      43.35745 
1 1 1 -2  2  10 o 475.258 21.031 48.093  4.2328 51.132  6.0443  45.168  5.9295 487.907 29.390 458.149 30.739 29.75797       42.52841 
1 1 1 -2  2  11 o 401.099 30.380 34.716  5.1221 34.716  5.1221  0.0000  0.0000 401.099 30.380 ?       ?      0.000000       30.37980 
1 1 1 -2  2  12 o 194.693 31.105 8.3538  2.4783 0.0000  0.0000  8.3538  2.4783 ?       ?      194.693 31.105 0.000000       31.10467 
1 1 1 -2  2  13 o 512.268 17.360 55.871  3.7661 53.095  6.6426  57.186  4.5719 495.231 31.842 517.635 20.856 -22.40399      38.06379 
1 1 1 -2  2  14 o 413.911 17.312 36.453  3.0345 39.678  5.3529  34.926  3.6836 428.846 29.656 404.038 21.606 24.80762       36.69233 
1 1 1 -2  2  15 o 781.021 18.339 129.722 6.0656 131.928 10.677  128.671 7.3706 784.137 32.151 777.027 22.399 7.109863       39.18411 
1 1 1 -2  2  16 o 895.909 18.867 170.544 7.1582 166.184 12.573  172.635 8.7072 881.077 33.695 900.668 22.828 -19.59131      40.70031 
1 1 1 -2  2  17 f 713.477 18.250 108.066 5.5144 116.161 9.7111  104.213 6.6992 737.923 31.075 700.165 22.593 37.75781       38.42034 
1 1 1 -2  2  18 o 762.909 18.497 123.536 5.9761 117.264 10.464  126.572 7.2803 741.312 33.331 771.815 22.274 -30.50348      40.08794 
1 1 1 -2  2  19 o 127.839 36.169 3.5839  2.0460 3.5839  2.0460  0.0000  0.0000 127.839 36.169 ?       ?      0.000000       36.16876 
1 1 1 -2  2  20 o 319.699 22.614 21.839  3.0419 0.0000  0.0000  21.839  3.0419 ?       ?      319.699 22.614 0.000000       22.61362 
1 1 1 -2  2  21 o 418.517 18.160 37.202  3.2186 39.827  5.6111  35.915  3.9292 430.699 30.970 410.243 22.705 20.45547       38.40104 
1 1 1 -2  2  22 o 402.414 22.943 34.585  3.8937 36.459  5.4176  32.582  5.5999 411.730 31.305 388.449 34.397 23.28046       46.50977 
1 1 1 -2  2  23 o 342.211 23.459 25.061  3.3792 24.014  4.6587  26.224  4.9089 333.118 33.477 348.198 33.712 -15.07986      47.51025 
1 1 1 -2  2  24 o 856.810 23.865 156.545 8.6594 162.160 12.289  151.007 12.204 869.131 33.389 838.368 34.372 30.76312       47.91926 
1 1 1 -2  2  25 o 325.165 23.577 22.702  3.2246 20.501  4.5124  25.000  4.6097 306.178 35.457 339.286 32.479 -33.10873      48.08435 
1 1 1 -2  2  26 o 478.647 33.259 49.814  6.6998 0.0000  0.0000  49.814  6.6998 ?       ?      478.647 33.259 0.000000       33.25907 
1 1 1 -2  2  27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  2  28 o 328.185 23.935 23.292  3.3036 21.658  4.6696  24.929  4.6743 312.338 35.960 336.422 33.244 -24.08395      48.97190 
1 1 1 -2  2  29 o 211.240 26.039 9.8156  2.2801 11.061  3.1977  8.5276  3.2522 221.213 35.322 191.575 41.302 29.63730       54.34578 
1 1 1 -2  2  30 o 132.491 31.859 4.0190  1.7656 -0.2820 2.4542  8.6332  2.5421 83.621  36.550 195.694 31.762 -112.0734      48.42234 
1 1 1 -2  2  31 o 141.895 32.404 4.6498  1.9045 4.3941  2.3776  5.1077  3.1811 136.869 39.083 146.818 46.004 -9.949631      60.36465 
1 1 1 -2  2  32 o 287.819 25.719 18.319  3.1018 22.275  4.3154  14.090  4.4615 313.487 33.001 241.656 45.258 71.83142       56.01227 
1 1 1 -2  3  1  o 520.333 18.329 57.520  4.0388 56.030  5.6595  59.066  5.7656 512.010 26.188 526.416 25.862 -14.40594      36.80618 
1 1 1 -2  3  2  o 529.635 17.160 59.571  3.8488 59.918  5.4008  59.213  5.4863 530.430 24.043 527.237 24.571 3.192688       34.37738 
1 1 1 -2  3  3  o 458.697 14.696 44.647  2.8547 45.195  3.9150  44.026  4.1715 461.074 20.050 454.925 21.652 6.149200       29.50993 
1 1 1 -2  3  4  o 441.847 9.8759 41.379  1.8480 42.861  2.2624  38.407  3.2032 449.595 11.882 425.224 17.788 24.37045       21.39174 
1 1 1 -2  3  5  o 191.937 9.8264 7.8286  0.7960 8.0556  1.1121  7.5899  1.1400 194.398 13.594 188.588 14.383 5.810013       19.79014 
1 1 1 -2  3  6  o 683.278 14.976 99.077  4.3334 90.375  7.7782  102.993 5.2183 650.748 28.224 696.346 17.695 -45.59851      33.31260 
1 1 1 -2  3  7  o 371.050 29.214 29.575  4.5534 0.0000  0.0000  29.575  4.5534 ?       ?      371.050 29.214 0.000000       29.21378 
1 1 1 -2  3  8  o 275.499 20.404 16.228  2.3636 14.895  3.2965  17.638  3.3908 262.304 30.229 286.061 28.364 -23.75705      41.45258 
1 1 1 -2  3  9  o 931.496 22.875 184.812 9.0239 185.457 12.697  184.154 12.827 930.436 32.224 927.012 32.674 3.424194       45.89077 
1 1 1 -2  3  10 o 175.775 21.692 6.6795  1.5805 6.8459  2.2333  6.5125  2.2370 176.216 31.062 171.594 31.959 4.622192       44.56720 
1 1 1 -2  3  11 o 344.537 30.203 25.664  4.3624 25.664  4.3624  0.0000  0.0000 344.537 30.203 ?       ?      0.000000       30.20316 
1 1 1 -2  3  12 o 380.611 30.117 31.346  4.8147 0.0000  0.0000  31.346  4.8147 ?       ?      380.611 30.117 0.000000       30.11683 
1 1 1 -2  3  13 o 412.964 21.292 36.501  3.7110 37.639  5.2891  35.399  5.2083 417.162 30.141 404.350 30.643 12.81165       42.98261 
1 1 1 -2  3  14 o 284.458 17.486 17.282  2.0962 18.676  3.6817  16.613  2.5499 293.402 30.055 278.204 21.818 15.19849       37.13914 
1 1 1 -2  3  15 o 342.160 17.479 24.950  2.5243 26.178  4.4426  24.364  3.0675 348.298 30.424 337.542 21.572 10.75589       37.29596 
1 1 1 -2  3  16 o 358.423 17.429 27.281  2.6455 26.828  4.6562  27.497  3.2148 352.918 31.485 358.968 21.242 -6.050507      37.98055 
1 1 1 -2  3  17 o 661.584 18.024 92.910  5.0497 90.711  8.8961  93.956  6.1337 651.933 32.222 664.916 21.783 -12.98193      38.89405 
1 1 1 -2  3  18 o 898.561 18.963 171.394 7.2161 177.681 12.684  168.385 8.7744 912.624 32.818 890.076 23.278 22.54785       40.23584 
1 1 1 -2  3  19 o 932.542 33.766 185.667 13.335 185.667 13.335  0.0000  0.0000 932.542 33.766 ?       ?      0.000000       33.76633 
1 1 1 -2  3  20 o 932.640 23.436 185.002 9.2565 0.0000  0.0000  185.002 9.2565 ?       ?      932.640 23.436 0.000000       23.43620 
1 1 1 -2  3  21 o 369.374 18.289 28.980  2.8609 25.641  4.9435  30.661  3.5080 344.446 34.348 379.052 21.947 -34.60641      40.76106 
1 1 1 -2  3  22 o 484.969 18.275 49.973  3.7533 47.745  6.5470  51.064  4.5807 471.086 33.026 489.846 22.082 -18.76031      39.72780 
1 1 1 -2  3  23 o 584.636 18.428 72.644  4.5626 64.939  7.9653  76.406  5.5663 549.202 34.421 599.122 21.938 -49.91980      40.81799 
1 1 1 -2  3  24 o 401.891 18.657 34.349  3.1754 23.791  5.4447  39.792  3.9090 329.702 39.800 432.268 21.353 -102.5668      45.16676 
1 1 1 -2  3  25 o 646.192 18.657 88.915  5.1057 94.431  8.9671  86.268  6.2107 662.359 31.968 635.562 23.075 26.79718       39.42596 
1 1 1 -2  3  26 o 443.049 33.537 42.739  6.2458 0.0000  0.0000  42.739  6.2458 ?       ?      443.049 33.537 0.000000       33.53714 
1 1 1 -2  3  27 o 450.976 33.192 44.423  6.2946 0.0000  0.0000  44.423  6.2946 ?       ?      450.976 33.192 0.000000       33.19207 
1 1 1 -2  3  28 o 106.264 31.837 2.4919  1.5455 4.8606  2.2195  0.2621  2.1534 146.025 36.096 83.948  35.405 62.07678       50.56105 
1 1 1 -2  3  29 o 122.028 31.623 3.3888  1.6476 3.4784  2.3131  3.2966  2.3474 124.741 39.252 122.323 39.657 2.417976       55.79745 
1 1 1 -2  3  30 o 322.579 24.073 22.679  3.2649 22.352  4.5525  23.026  4.6848 315.530 34.639 320.039 35.144 -4.508881      49.34549 
1 1 1 -2  3  31 o 399.224 24.484 34.887  4.1194 31.461  5.6327  38.826  6.0401 371.927 36.221 414.586 34.722 -42.65891      50.17566 
1 1 1 -2  3  32 o 152.972 32.482 5.4211  2.0392 4.8530  2.6267  6.2830  3.2353 142.611 41.188 160.460 45.511 -17.84813      61.38148 
1 1 1 -2  4  1  o 293.271 16.958 18.324  2.0972 17.479  2.9518  19.186  2.9801 285.408 24.664 299.254 23.709 -13.84631      34.21156 
1 1 1 -2  4  2  o 541.119 16.657 62.172  3.8171 62.482  5.3386  61.847  5.4599 541.758 23.269 538.918 23.923 2.840576       33.37288 
1 1 1 -2  4  3  o 474.302 11.637 47.699  2.3375 45.016  3.9261  49.172  2.9094 460.153 20.147 481.408 14.271 -21.25552      24.68939 
1 1 1 -2  4  4  o 629.841 9.9584 84.082  2.6562 85.097  3.7498  83.060  3.7631 633.330 13.981 625.682 14.202 7.648010       19.92898 
1 1 1 -2  4  5  o 695.097 10.863 102.427 3.1978 102.548 4.4301  102.295 4.6208 695.134 15.049 694.205 15.717 0.9299316      21.76007 
1 1 1 -2  4  6  o 475.135 13.114 47.884  2.6388 50.061  4.7677  46.922  3.1683 484.940 23.215 470.150 15.913 14.79007       28.14543 
1 1 1 -2  4  7  o 647.384 29.057 89.483  7.9662 0.0000  0.0000  89.483  7.9662 ?       ?      647.384 29.057 0.000000       29.05661 
1 1 1 -2  4  8  o 694.221 20.813 102.513 6.1190 99.896  8.4600  105.384 8.8611 683.804 29.214 702.210 29.797 -18.40594      41.72943 
1 1 1 -2  4  9  o 562.404 20.844 67.309  4.9645 70.360  6.9137  64.060  7.1332 573.784 28.452 546.184 30.967 27.60004       42.05315 
1 1 1 -2  4  10 o 434.364 20.711 40.174  3.8097 41.367  5.3192  38.918  5.4590 438.718 28.789 425.080 30.528 13.63821       41.96163 
1 1 1 -2  4  11 o 350.449 29.603 26.533  4.3524 26.533  4.3524  0.0000  0.0000 350.449 29.603 ?       ?      0.000000       29.60331 
1 1 1 -2  4  12 o 107.098 33.291 2.4672  1.6696 0.0000  0.0000  2.4672  1.6696 ?       ?      107.098 33.291 0.000000       33.29105 
1 1 1 -2  4  13 o 687.471 21.991 100.942 6.4023 101.696 9.0496  100.186 9.0589 687.087 31.101 681.864 31.371 5.222900       44.17514 
1 1 1 -2  4  14 o 611.074 21.789 79.659  5.6387 89.127  8.0252  70.426  7.9244 644.415 29.407 570.969 32.912 73.44635       44.13557 
1 1 1 -2  4  15 o 342.707 21.519 25.108  3.1072 21.047  4.3941  29.170  4.3945 311.316 33.876 368.272 28.397 -56.95602      44.20335 
1 1 1 -2  4  16 o 1199.42 20.343 305.798 10.333 307.593 18.030  304.920 12.609 1198.19 35.533 1196.55 24.884 1.646118       43.37968 
1 1 1 -2  4  17 o 904.005 18.934 173.514 7.2488 164.114 12.658  178.101 8.8422 876.513 34.102 915.315 22.811 -38.80249      41.02773 
1 1 1 -2  4  18 o 655.042 18.087 91.062  5.0174 94.590  8.7921  89.359  6.1100 666.120 31.167 648.509 22.248 17.61108       38.29282 
1 1 1 -2  4  19 o 844.711 33.050 152.298 11.823 152.298 11.823  0.0000  0.0000 844.711 33.050 ?       ?      0.000000       33.05026 
1 1 1 -2  4  20 o 814.455 22.834 141.060 7.8757 0.0000  0.0000  141.060 7.8757 ?       ?      814.455 22.834 0.000000       22.83381 
1 1 1 -2  4  21 o 794.941 18.777 134.252 6.3214 127.397 11.037  137.598 7.7117 771.536 33.779 804.184 22.644 -32.64783      40.66638 
1 1 1 -2  4  22 o 413.327 18.266 36.300  3.1973 37.297  5.5129  35.794  3.9247 416.399 31.496 409.430 22.725 6.968964       38.83802 
1 1 1 -2  4  23 o 412.066 22.255 36.254  3.8693 32.007  5.5443  40.286  5.4024 384.820 34.383 433.110 29.632 -48.29053      45.38971 
1 1 1 -2  4  24 o 164.021 22.836 5.8424  1.5432 6.8885  2.6216  5.2877  1.9089 175.763 36.418 154.537 30.251 21.22627       47.34344 
1 1 1 -2  4  25 o 559.357 18.551 66.625  4.3943 58.739  7.6167  70.559  5.3800 520.470 34.756 574.962 22.095 -54.49194      41.18487 
1 1 1 -2  4  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  4  27 o 668.701 23.126 95.912  6.5491 0.0000  0.0000  95.912  6.5491 ?       ?      668.701 23.126 0.000000       23.12626 
1 1 1 -2  4  28 o 185.219 29.028 7.6051  2.2021 4.3213  2.9015  12.066  3.3818 139.229 43.980 232.153 35.528 -92.92386      56.53726 
1 1 1 -2  4  29 o 393.707 23.447 33.602  3.8917 35.608  5.5003  31.592  5.5069 401.038 32.670 376.427 34.944 24.61084       47.83723 
1 1 1 -2  4  30 o 90.700  31.461 1.6634  1.4758 1.3868  1.9750  2.0132  2.2209 92.882  35.698 103.736 38.285 -10.85377      52.34562 
1 1 1 -2  4  31 o 317.263 24.410 22.077  3.2545 19.945  4.5328  24.346  4.6755 294.914 37.116 328.018 34.159 -33.10416      50.44194 
1 1 1 -2  4  32 o 297.097 25.465 19.500  3.1729 21.360  4.3013  17.278  4.6995 306.445 33.701 269.924 42.519 36.52045       54.25486 
1 1 1 -2  5  1  o 538.175 17.259 61.510  3.9336 62.401  5.5274  60.596  5.5993 541.299 24.113 533.325 24.791 7.973633       34.58353 
1 1 1 -2  5  2  o 389.925 15.414 32.270  2.5453 32.517  3.5080  31.996  3.6988 390.422 21.297 387.080 22.663 3.341461       31.09937 
1 1 1 -2  5  3  o 163.636 9.4444 5.6938  0.6517 5.5704  0.9255  5.8152  0.9179 161.470 13.662 165.046 13.243 -3.576263      19.02738 
1 1 1 -2  5  4  o 1023.91 12.019 222.311 5.2118 224.487 7.3638  220.126 7.3775 1028.18 16.912 1018.11 17.111 10.07068       24.05793 
1 1 1 -2  5  5  o 139.988 9.3759 4.1717  0.5526 3.6185  0.7636  4.7801  0.8008 129.834 14.115 149.585 12.763 -19.75089      19.02981 
1 1 1 -2  5  6  o 359.418 10.579 27.384  1.6102 28.491  2.2883  26.298  2.2663 366.418 14.747 352.014 15.202 14.40408       21.17955 
1 1 1 -2  5  7  o 598.329 17.303 76.030  4.3844 0.0000  0.0000  76.030  4.3844 ?       ?      598.329 17.303 0.000000       17.30337 
1 1 1 -2  5  8  o 658.298 19.828 92.148  5.5277 94.473  7.5403  89.446  8.1274 665.407 26.758 646.899 29.667 18.50793       39.95141 
1 1 1 -2  5  9  o 720.114 20.859 110.366 6.3611 113.776 8.7830  106.603 9.2253 729.564 28.427 705.595 30.873 23.96912       41.96747 
1 1 1 -2  5  10 f 689.005 21.306 101.134 6.2167 104.692 8.6510  97.334  8.9396 699.160 29.218 673.569 31.339 25.59119       42.84670 
1 1 1 -2  5  11 o 242.446 29.404 12.792  2.9573 12.792  2.9573  0.0000  0.0000 242.446 29.404 ?       ?      0.000000       29.40406 
1 1 1 -2  5  12 o 231.075 31.177 11.698  2.9730 0.0000  0.0000  11.698  2.9730 ?       ?      231.075 31.177 0.000000       31.17704 
1 1 1 -2  5  13 o 308.388 21.287 20.394  2.7630 19.627  3.8375  21.219  3.9815 300.493 30.582 312.590 30.464 -12.09698      43.16568 
1 1 1 -2  5  14 o 859.603 22.811 157.711 8.3038 154.574 11.670  160.928 11.818 847.556 32.514 864.906 32.264 -17.34949      45.80573 
1 1 1 -2  5  15 o 482.445 21.429 49.556  4.3782 47.017  6.1476  52.168  6.2369 467.486 31.232 492.820 30.027 -25.33432      43.32496 
1 1 1 -2  5  16 o 1125.84 24.433 269.858 11.649 271.638 16.489  268.084 16.460 1126.48 34.564 1119.03 34.733 7.453125       49.00035 
1 1 1 -2  5  17 o 797.822 22.671 135.299 7.6599 132.738 10.842  137.851 10.823 788.648 32.463 803.822 31.795 -15.17334      45.43983 
1 1 1 -2  5  18 o 709.224 18.291 106.756 5.4936 97.916  9.5208  111.168 6.7262 677.424 33.187 723.361 21.957 -45.93628      39.79322 
1 1 1 -2  5  19 o 538.445 31.320 62.041  7.1110 62.041  7.1110  0.0000  0.0000 538.445 31.320 ?       ?      0.000000       31.32026 
1 1 1 -2  5  20 o 1433.55 26.712 437.738 16.216 0.0000  0.0000  437.738 16.216 ?       ?      1433.55 26.712 0.000000       26.71153 
1 1 1 -2  5  21 o 1102.06 20.069 258.161 9.3663 253.709 16.341  260.339 11.430 1088.12 35.462 1105.69 24.411 -17.57178      43.05121 
1 1 1 -2  5  22 o 608.396 18.330 78.653  4.7226 77.868  8.2283  79.039  5.7671 602.271 32.380 609.365 22.348 -7.094971      39.34306 
1 1 1 -2  5  23 o 319.889 22.645 21.898  3.0479 24.692  4.3692  19.250  4.2538 338.346 30.831 297.669 34.376 40.67706       46.17685 
1 1 1 -2  5  24 o 510.356 18.334 55.392  3.9625 59.008  6.8920  53.606  4.8431 523.710 31.217 501.468 22.805 22.24152       38.65953 
1 1 1 -2  5  25 f 755.446 23.560 121.964 7.5374 128.948 10.604  114.833 10.715 773.626 32.368 729.119 34.703 44.50745       47.45461 
1 1 1 -2  5  26 o 149.296 39.364 5.0465  2.5242 5.0465  2.5242  0.0000  0.0000 149.296 39.364 ?       ?      0.000000       39.36364 
1 1 1 -2  5  27 o 424.735 31.909 39.355  5.6975 0.0000  0.0000  39.355  5.6975 ?       ?      424.735 31.909 0.000000       31.90854 
1 1 1 -2  5  28 o 340.376 19.062 24.868  2.7367 21.927  4.7154  26.362  3.3606 314.025 36.115 349.473 22.833 -35.44730      42.72734 
1 1 1 -2  5  29 f 242.389 20.070 12.711  2.0417 13.648  3.4880  12.223  2.5181 246.424 34.357 236.089 25.596 10.33514       42.84378 
1 1 1 -2  5  30 o 317.679 19.293 21.781  2.5833 29.305  4.5100  18.107  3.1515 364.325 29.484 287.204 26.199 77.12085       39.44264 
1 1 1 -2  5  31 o 293.344 24.557 18.906  3.0226 20.260  4.1917  17.439  4.3627 299.143 33.673 274.575 38.583 24.56760       51.21100 
1 1 1 -2  5  32 o 408.087 24.177 36.546  4.1596 46.017  5.7804  26.375  5.9904 453.685 30.259 333.648 43.425 120.0371       52.92778 
1 1 1 -2  6  1  o 790.629 18.244 132.800 6.1087 129.147 8.5922  136.534 8.6864 778.340 26.067 800.380 25.627 -22.03992      36.55473 
1 1 1 -2  6  2  o 840.879 14.034 150.015 4.9976 151.307 8.5143  149.335 6.1729 842.933 23.851 838.534 17.383 4.399414       29.51362 
1 1 1 -2  6  3  o 580.845 10.154 71.512  2.4977 71.820  3.5408  71.208  3.5237 581.793 14.371 579.308 14.363 2.485046       20.31804 
1 1 1 -2  6  4  o 276.389 8.9125 16.188  1.0432 16.324  1.4748  16.052  1.4758 277.439 12.552 275.114 12.667 2.325043       17.83276 
1 1 1 -2  6  5  f 685.620 10.500 99.645  3.0487 97.533  4.2590  101.865 4.3660 677.944 14.834 692.830 14.880 -14.88605      21.01147 
1 1 1 -2  6  6  o 361.565 11.430 27.717  1.7501 28.205  2.1966  26.870  2.8960 364.600 14.226 355.047 19.333 9.553436       24.00303 
1 1 1 -2  6  7  o 416.961 13.107 36.878  2.3145 36.200  4.1253  37.189  2.7960 411.612 23.767 418.554 15.774 -6.941528      28.52541 
1 1 1 -2  6  8  o 898.524 20.326 171.728 7.7345 169.652 10.591  174.100 11.322 891.254 28.060 902.418 29.626 -11.16412      40.80568 
1 1 1 -2  6  9  o 946.516 21.446 190.761 8.5965 188.046 11.785  193.849 12.567 937.372 29.687 951.202 31.198 -13.82996      43.06545 
1 1 1 -2  6  10 o 436.000 27.196 40.819  4.9965 40.819  4.9965  0.0000  0.0000 436.000 27.196 ?       ?      0.000000       27.19635 
1 1 1 -2  6  11 o 752.818 29.892 121.757 9.5298 121.757 9.5298  0.0000  0.0000 752.818 29.892 ?       ?      0.000000       29.89166 
1 1 1 -2  6  12 o 460.807 30.394 45.899  5.8980 0.0000  0.0000  45.899  5.8980 ?       ?      460.807 30.394 0.000000       30.39379 
1 1 1 -2  6  13 o 228.720 21.518 11.263  2.0598 10.291  2.8880  12.270  2.9386 216.185 32.555 237.078 29.936 -20.89331      44.22647 
1 1 1 -2  6  14 o 742.496 22.133 117.588 6.9596 116.628 9.7299  118.593 9.9588 736.833 31.181 742.853 31.656 -6.019653      44.43411 
1 1 1 -2  6  15 o 324.365 21.456 22.493  2.9307 19.811  4.0534  25.432  4.2423 302.430 32.141 343.622 29.437 -41.19250      43.58386 
1 1 1 -2  6  16 o 784.017 22.482 130.743 7.4645 129.983 10.464  131.530 10.651 780.012 31.679 784.558 32.057 -4.546326      45.06861 
1 1 1 -2  6  17 o 625.325 21.957 83.094  5.8146 82.014  8.1700  84.202  8.2771 619.352 31.250 628.360 31.105 -9.007935      44.09143 
1 1 1 -2  6  18 o 844.108 22.867 151.428 8.1743 156.814 11.552  146.027 11.568 857.520 31.812 827.275 33.019 30.24500       45.85034 
1 1 1 -2  6  19 o 484.906 21.802 49.967  4.4770 49.164  6.2794  50.797  6.3849 479.123 31.116 487.046 31.118 -7.923615      44.00629 
1 1 1 -2  6  20 o 621.861 22.250 82.228  5.8595 0.0000  0.0000  82.228  5.8595 ?       ?      621.861 22.250 0.000000       22.24956 
1 1 1 -2  6  21 o 845.229 18.904 151.795 6.7666 147.890 11.726  153.745 8.2854 831.279 33.309 849.935 23.019 -18.65570      40.48852 
1 1 1 -2  6  22 o 506.900 18.154 54.598  3.8971 59.034  6.7495  52.379  4.7731 524.568 30.514 496.003 22.723 28.56451       38.04573 
1 1 1 -2  6  23 o 1038.96 19.866 229.580 8.7409 227.098 15.182  230.811 10.691 1028.61 34.852 1040.61 24.259 -11.99585      42.46322 
1 1 1 -2  6  24 o 537.543 18.316 61.456  4.1695 63.466  7.2280  60.453  5.1044 543.025 31.567 532.521 22.634 10.50427       38.84305 
1 1 1 -2  6  25 o 553.956 22.879 65.560  5.3673 71.408  7.5237  59.500  7.6590 575.209 31.001 523.629 34.736 51.58032       46.55778 
1 1 1 -2  6  26 o 661.511 32.632 94.758  9.1417 94.758  9.1417  0.0000  0.0000 661.511 32.632 ?       ?      0.000000       32.63212 
1 1 1 -2  6  27 o 800.380 32.727 139.256 11.093 0.0000  0.0000  139.256 11.093 ?       ?      800.380 32.727 0.000000       32.72713 
1 1 1 -2  6  28 o 307.507 19.337 20.324  2.5054 26.090  4.3395  17.441  3.0684 345.211 29.981 283.064 25.883 62.14786       39.60794 
1 1 1 -2  6  29 o 155.747 23.996 5.3628  1.5319 6.4934  2.5841  4.7503  1.9022 167.702 37.344 144.350 31.960 23.35199       49.15343 
1 1 1 -2  6  30 o 142.722 24.491 4.5387  1.4270 4.8790  2.3329  4.3353  1.8038 144.790 37.683 137.601 31.618 7.189117       49.19032 
1 1 1 -2  6  31 o 542.309 18.994 63.453  4.3621 62.136  7.5212  64.121  5.3547 525.104 34.004 542.614 23.302 -17.51025      41.22260 
1 1 1 -2  6  32 o 153.607 24.568 5.2822  1.5443 4.4086  2.6379  5.7377  1.9048 136.423 41.754 158.527 29.458 -22.10422      51.09922 
1 1 1 -2  7  1  o 441.771 22.618 41.643  4.2173 41.643  4.2173  0.0000  0.0000 441.771 22.618 ?       ?      0.000000       22.61815 
1 1 1 -2  7  2  f 711.991 11.320 107.478 3.4131 105.770 4.8242  109.190 4.8296 705.845 16.139 717.191 15.901 -11.34583      22.65637 
1 1 1 -2  7  3  o 645.571 10.300 88.341  2.8161 90.642  4.0025  86.086  3.9628 653.587 14.461 636.927 14.691 16.66016       20.61432 
1 1 1 -2  7  4  o 401.983 9.2133 34.245  1.5684 33.423  2.2174  35.068  2.2189 396.952 13.190 406.620 12.885 -9.667877      18.43954 
1 1 1 -2  7  5  o 817.487 12.811 141.738 4.4352 140.830 5.3629  143.705 7.8896 814.547 15.547 821.704 22.672 -7.157104      27.49050 
1 1 1 -2  7  6  f 350.035 13.862 25.994  2.0549 25.994  2.0549  0.0000  0.0000 350.035 13.862 ?       ?      0.000000       13.86224 
1 1 1 -2  7  7  o 362.064 13.019 27.807  1.9962 27.695  2.3773  28.076  3.6762 361.195 15.542 362.243 24.101 -1.047852      28.67749 
1 1 1 -2  7  8  o 316.761 17.420 21.383  2.3278 21.657  3.1888  21.070  3.4060 317.911 23.859 313.208 25.911 4.702881       35.22295 
1 1 1 -2  7  9  o 292.702 18.199 18.286  2.2447 17.102  3.0362  19.714  3.3337 281.879 25.717 302.706 26.265 -20.82596      36.75950 
1 1 1 -2  7  10 f 464.128 26.366 46.217  5.1609 46.217  5.1609  0.0000  0.0000 464.128 26.366 ?       ?      0.000000       26.36583 
1 1 1 -2  7  11 o 308.599 29.163 20.632  3.7661 0.0000  0.0000  20.632  3.7661 ?       ?      308.599 29.163 0.000000       29.16342 
1 1 1 -2  7  12 o 394.424 29.888 33.660  4.9552 0.0000  0.0000  33.660  4.9552 ?       ?      394.424 29.888 0.000000       29.88758 
1 1 1 -2  7  13 f 636.266 21.346 86.395  5.7517 82.441  7.9850  90.659  8.2920 619.041 30.459 649.264 30.157 -30.22253      42.86253 
1 1 1 -2  7  14 o 832.981 22.439 147.987 7.9155 146.385 11.032  149.687 11.364 825.559 31.554 834.590 32.153 -9.030640      45.04941 
1 1 1 -2  7  15 o 377.490 21.279 30.420  3.3878 28.500  4.7281  32.446  4.8566 363.657 30.997 388.435 29.750 -24.77826      42.96353 
1 1 1 -2  7  16 o 695.144 22.006 102.749 6.4783 99.617  9.0434  106.051 9.2849 683.018 31.265 704.757 31.110 -21.73926      44.10543 
1 1 1 -2  7  17 o 610.266 21.893 79.135  5.6582 81.166  7.9025  76.998  8.1050 617.074 30.240 599.947 32.016 17.12701       44.03978 
1 1 1 -2  7  18 f 853.983 32.211 155.562 11.649 155.562 11.649  0.0000  0.0000 853.983 32.211 ?       ?      0.000000       32.21096 
1 1 1 -2  7  19 o 740.332 22.485 116.506 7.0497 115.111 9.9309  117.924 10.009 734.445 31.929 743.386 31.793 -8.941589      45.05868 
1 1 1 -2  7  20 o 664.535 31.651 94.321  8.9074 0.0000  0.0000  94.321  8.9074 ?       ?      664.535 31.651 0.000000       31.65122 
1 1 1 -2  7  21 o 739.650 18.518 116.232 5.8005 116.904 10.011  115.893 7.1168 739.328 31.975 737.935 22.773 1.392761       39.25576 
1 1 1 -2  7  22 o 585.345 18.279 72.810  4.5311 75.146  7.8592  71.647  5.5456 591.779 31.473 580.107 22.573 11.67181       38.73101 
1 1 1 -2  7  23 o 317.121 18.969 21.457  2.5357 23.350  4.3994  20.516  3.1031 328.655 32.015 309.362 23.870 19.29337       39.93423 
1 1 1 -2  7  24 o 340.985 18.906 24.815  2.7194 23.659  4.6991  25.396  3.3345 329.984 34.119 344.332 23.000 -14.34830      41.14726 
1 1 1 -2  7  25 o 421.629 22.985 38.101  4.0887 45.176  5.6968  30.585  5.8717 457.487 29.562 373.694 37.614 83.79272       47.84063 
1 1 1 -2  7  26 o 269.163 24.615 15.667  2.7748 15.684  3.7927  15.647  4.0703 266.729 34.377 265.530 37.219 1.198822       50.66558 
1 1 1 -2  7  27 o 668.306 32.284 97.061  9.1370 0.0000  0.0000  97.061  9.1370 ?       ?      668.306 32.284 0.000000       32.28383 
1 1 1 -2  7  28 o 351.581 18.813 26.531  2.7909 26.835  4.7529  26.371  3.4480 349.008 32.532 349.219 23.450 -0.2108459     40.10335 
1 1 1 -2  7  29 o 249.756 19.961 13.495  2.0936 13.641  3.4696  13.411  2.6254 246.252 34.193 247.362 25.424 -1.110245      42.60912 
1 1 1 -2  7  30 o 272.092 19.712 16.020  2.2560 15.312  3.8349  16.395  2.7898 259.742 35.816 273.762 24.317 -14.02014      43.29076 
1 1 1 -2  7  31 o 214.490 21.345 10.069  1.9131 11.759  3.1794  9.1095  2.3952 226.651 34.187 201.195 28.945 25.45662       44.79501 
1 1 1 -2  7  32 o 242.227 20.501 12.807  2.0833 16.902  3.6070  10.758  2.5519 273.216 31.768 218.919 28.180 54.29616       42.46503 
1 1 1 -2  8  1  o 633.840 16.073 85.290  4.3145 92.080  6.1306  78.627  6.0730 657.844 22.006 607.672 23.599 50.17255       32.26717 
1 1 1 -2  8  2  o 296.441 11.262 18.631  1.4138 19.380  1.7532  17.238  2.3910 302.248 13.697 284.059 20.004 18.18884       24.24351 
1 1 1 -2  8  3  o 318.824 10.608 21.548  1.4323 21.820  1.7728  21.036  2.4304 320.739 13.052 314.132 18.349 6.607635       22.51758 
1 1 1 -2  8  4  o 696.377 11.949 102.831 3.5240 104.613 4.3238  99.307  6.0818 702.141 14.541 683.316 21.017 18.82465       25.55678 
1 1 1 -2  8  5  o 706.748 12.120 105.921 3.6276 105.385 4.3959  107.064 6.4225 704.712 14.730 709.451 21.377 -4.738586      25.95996 
1 1 1 -2  8  6  o 731.158 15.521 113.476 4.8058 113.476 4.8058  0.0000  0.0000 731.158 15.521 ?       ?      0.000000       15.52075 
1 1 1 -2  8  7  f 1129.66 15.956 270.960 7.6331 263.421 13.187  274.759 9.3606 1110.63 28.037 1136.79 19.444 -26.15344      34.11979 
1 1 1 -2  8  8  o 824.446 18.940 144.534 6.6126 144.982 9.1523  144.045 9.5647 824.133 26.223 821.133 27.505 2.999146       38.00261 
1 1 1 -2  8  9  o 403.466 16.444 34.592  2.8096 33.422  4.1665  35.568  3.8049 394.884 25.044 407.945 22.107 -13.06104      33.40552 
1 1 1 -2  8  10 o 122.108 27.145 3.3160  1.3674 3.3160  1.3674  0.0000  0.0000 122.108 27.145 ?       ?      0.000000       27.14525 
1 1 1 -2  8  11 o 547.729 29.177 64.660  6.7434 0.0000  0.0000  64.660  6.7434 ?       ?      547.729 29.177 0.000000       29.17678 
1 1 1 -2  8  12 o 205.954 20.557 9.1398  1.7691 8.0801  2.3978  10.406  2.6207 191.430 30.609 218.143 29.093 -26.71396      42.22910 
1 1 1 -2  8  13 o 574.452 20.658 70.380  5.0256 65.149  6.8946  76.310  7.3408 549.821 29.721 596.068 29.081 -46.24640      41.58158 
1 1 1 -2  8  14 o 509.030 20.880 55.198  4.5011 55.597  6.2120  54.756  6.5312 508.664 28.957 504.326 30.726 4.338013       42.22115 
1 1 1 -2  8  15 o 211.868 22.389 9.6606  1.9784 10.553  2.7247  8.6656  2.8773 220.221 29.997 198.058 35.614 22.16302       46.56314 
1 1 1 -2  8  16 o 438.561 21.246 40.880  3.9460 40.907  5.4908  40.852  5.6746 436.908 29.855 436.426 30.903 0.4820251      42.96860 
1 1 1 -2  8  17 o 544.461 21.703 62.984  5.0043 62.788  6.9410  63.196  7.2215 541.898 30.368 543.460 31.513 -1.562134      43.76357 
1 1 1 -2  8  18 o 543.973 30.604 63.275  7.0214 63.275  7.0214  0.0000  0.0000 543.973 30.604 ?       ?      0.000000       30.60355 
1 1 1 -2  8  19 o 1274.49 25.507 345.688 13.767 348.716 19.350  342.584 19.591 1276.94 35.783 1265.38 36.559 11.55286       51.15667 
1 1 1 -2  8  20 o 1157.01 35.359 286.602 17.325 0.0000  0.0000  286.602 17.325 ?       ?      1157.01 35.359 0.000000       35.35886 
1 1 1 -2  8  21 o 969.432 23.744 200.120 9.7481 210.873 13.768  189.312 13.803 992.626 32.753 939.909 34.678 52.71643       47.70058 
1 1 1 -2  8  22 o 228.033 19.952 11.142  1.9074 11.286  3.2726  11.067  2.3473 226.779 35.218 226.525 24.878 0.2534943      43.11928 
1 1 1 -2  8  23 o 410.629 18.317 35.843  3.1853 41.727  5.5178  32.902  3.9009 440.684 29.740 392.227 23.594 48.45718       37.96299 
1 1 1 -2  8  24 o 378.760 18.686 30.526  2.9972 32.045  5.1887  29.766  3.6718 384.950 32.121 372.782 23.376 12.16800       39.72688 
1 1 1 -2  8  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  8  26 f 260.018 25.346 14.652  2.7555 15.079  3.8091  14.183  3.9909 261.079 35.361 252.050 38.619 9.029266       52.36291 
1 1 1 -2  8  27 o 151.884 39.327 5.2654  2.5495 0.0000  0.0000  5.2654  2.5495 ?       ?      151.884 39.327 0.000000       39.32684 
1 1 1 -2  8  28 o 262.836 19.840 14.891  2.1920 18.511  3.8293  13.127  2.6734 289.511 31.754 245.043 26.166 44.46758       41.14614 
1 1 1 -2  8  29 o 248.682 20.489 13.399  2.1386 15.530  3.7543  12.375  2.6021 262.725 34.584 237.160 26.354 25.56488       43.48049 
1 1 1 -2  8  30 o 304.736 19.921 20.091  2.5567 19.929  4.4093  20.173  3.1381 296.668 35.821 303.678 24.613 -7.010895      43.46183 
1 1 1 -2  8  31 o 239.255 20.328 12.476  2.0401 12.185  3.5648  12.618  2.4878 228.636 38.162 238.931 24.955 -10.29425      45.59716 
1 1 1 -2  8  32 o 280.575 24.166 17.344  2.8434 18.159  4.1419  16.617  3.9103 281.017 35.602 268.922 35.178 12.09528       50.05041 
1 1 1 -2  9  1  o 330.655 22.108 23.367  3.0780 0.0000  0.0000  23.367  3.0780 ?       ?      330.655 22.108 0.000000       22.10831 
1 1 1 -2  9  2  o 548.372 14.927 63.817  3.4664 65.825  4.9031  61.811  4.9015 556.344 20.810 539.038 21.472 17.30621       29.90160 
1 1 1 -2  9  3  o 238.294 9.1858 12.034  0.9270 11.753  1.3108  12.315  1.3111 235.020 13.224 240.615 12.914 -5.594421      18.48370 
1 1 1 -2  9  4  o 358.588 10.607 27.258  1.6108 27.832  2.7804  26.968  1.9762 361.489 18.221 356.570 13.087 4.918976       22.43399 
1 1 1 -2  9  5  o 549.244 11.411 63.961  2.6542 64.467  4.5216  63.695  3.2785 550.730 19.387 547.910 14.130 2.820496       23.98958 
1 1 1 -2  9  6  o 935.168 23.341 186.250 9.2440 0.0000  0.0000  186.250 9.2440 ?       ?      935.168 23.341 0.000000       23.34144 
1 1 1 -2  9  7  f 431.174 12.274 39.433  2.2413 42.043  3.8388  38.083  2.7606 444.550 20.391 423.524 15.392 21.02658       25.54781 
1 1 1 -2  9  8  o 634.573 24.214 85.885  6.5072 85.885  6.5072  0.0000  0.0000 634.573 24.214 ?       ?      0.000000       24.21396 
1 1 1 -2  9  9  f 481.032 16.423 49.180  3.3455 48.361  4.9436  49.872  4.5441 475.274 24.646 483.658 22.185 -8.384033      33.16040 
1 1 1 -2  9  10 f 353.102 26.658 26.848  3.9569 0.0000  0.0000  26.848  3.9569 ?       ?      353.102 26.658 0.000000       26.65785 
1 1 1 -2  9  11 o 342.354 28.277 25.340  4.0630 0.0000  0.0000  25.340  4.0630 ?       ?      342.354 28.277 0.000000       28.27697 
1 1 1 -2  9  12 o 249.248 19.681 13.329  2.0605 13.298  2.7925  13.366  3.0529 247.524 27.082 247.557 29.714 -0.3227234E-01 40.20386 
1 1 1 -2  9  13 o 348.037 20.027 25.902  2.9393 28.504  4.0159  22.899  4.3138 363.929 26.233 324.690 31.780 39.23911       41.20802 
1 1 1 -2  9  14 o 615.098 20.751 80.572  5.4054 77.252  7.3992  84.371  7.9158 600.646 29.089 627.543 29.786 -26.89703      41.63326 
1 1 1 -2  9  15 o 353.987 20.927 26.743  3.1233 26.932  4.2733  26.527  4.5762 354.012 28.752 350.884 31.119 3.127838       42.36880 
1 1 1 -2  9  16 o 969.819 23.036 200.016 9.4611 198.199 13.117  201.988 13.660 963.441 32.149 972.345 33.172 -8.903870      46.19446 
1 1 1 -2  9  17 o 527.622 21.423 59.142  4.7868 55.988  6.6046  62.632  6.9476 511.582 30.626 541.219 30.436 -29.63684      43.17732 
1 1 1 -2  9  18 o 621.873 30.501 82.444  8.0327 82.444  8.0327  0.0000  0.0000 621.873 30.501 ?       ?      0.000000       30.50102 
1 1 1 -2  9  19 o 641.608 31.867 87.876  8.6589 0.0000  0.0000  87.876  8.6589 ?       ?      641.608 31.867 0.000000       31.86743 
1 1 1 -2  9  20 o 950.624 23.522 192.316 9.4695 198.578 13.268  185.815 13.519 963.779 32.508 931.799 34.260 31.97937       47.22839 
1 1 1 -2  9  21 o 857.076 23.161 156.395 8.4064 151.546 11.773  161.440 12.007 841.315 33.043 868.458 32.648 -27.14319      46.45170 
1 1 1 -2  9  22 o 267.506 23.274 15.356  2.6104 15.920  3.7000  14.797  3.6833 270.663 32.961 260.533 34.210 10.13010       47.50518 
1 1 1 -2  9  23 o 413.817 18.216 36.403  3.1924 35.391  5.4845  36.922  3.9260 405.095 32.236 415.747 22.381 -10.65280      39.24381 
1 1 1 -2  9  24 o 288.887 19.201 17.844  2.3357 19.173  4.0124  17.162  2.8725 296.954 32.433 282.469 24.248 14.48514       40.49533 
1 1 1 -2  9  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  9  26 o 927.094 34.449 186.936 13.525 0.0000  0.0000  186.936 13.525 ?       ?      927.094 34.449 0.000000       34.44867 
1 1 1 -2  9  27 o 425.303 32.499 39.576  5.8091 0.0000  0.0000  39.576  5.8091 ?       ?      425.303 32.499 0.000000       32.49859 
1 1 1 -2  9  28 o 215.555 20.915 10.069  1.8852 12.857  3.1734  8.5493  2.3436 240.518 31.946 196.286 29.073 44.23294       43.19452 
1 1 1 -2  9  29 o 331.166 19.373 23.651  2.7052 24.084  4.6674  23.432  3.3196 328.126 34.086 328.023 24.065 0.1031189      41.72485 
1 1 1 -2  9  30 o 271.616 20.713 16.014  2.3646 19.576  4.0172  14.125  2.9250 295.431 32.654 252.502 27.815 42.92877       42.89480 
1 1 1 -2  9  31 o 186.243 23.919 7.6883  1.8430 7.4429  3.1127  7.8207  2.2869 175.804 42.318 185.548 30.138 -9.743729      51.95288 
1 1 1 -2  9  32 o 174.229 28.883 6.8895  2.0564 8.6061  2.9264  5.2147  2.8904 191.301 37.462 147.050 43.419 44.25064       57.34645 
1 1 1 -2  10 1  o 566.020 15.416 68.001  3.6953 0.0000  0.0000  68.001  3.6953 ?       ?      566.020 15.416 0.000000       15.41618 
1 1 1 -2  10 2  o 806.707 16.280 138.168 5.5618 133.148 7.8225  143.300 7.9094 790.799 23.358 820.505 22.762 -29.70575      32.61485 
1 1 1 -2  10 3  o 227.287 13.221 10.995  1.2671 10.557  1.7766  11.449  1.8075 222.065 19.077 231.380 18.604 -9.315002      26.64643 
1 1 1 -2  10 4  o 1510.79 21.619 485.593 13.832 490.315 19.543  480.853 19.579 1514.61 30.468 1499.76 30.827 14.85168       43.34270 
1 1 1 -2  10 5  o 1246.26 19.131 330.141 10.097 321.454 14.209  339.002 14.351 1227.30 27.337 1260.52 26.883 -33.21533      38.34116 
1 1 1 -2  10 6  o 593.398 14.371 74.731  3.6115 75.111  5.1866  74.373  5.0317 594.187 20.612 591.332 20.093 2.854492       28.78478 
1 1 1 -2  10 7  o 347.286 11.513 25.578  1.6933 25.324  2.1064  26.043  2.8469 345.404 14.400 349.398 19.315 -3.994781      24.09201 
1 1 1 -2  10 8  o 841.684 14.548 150.423 5.1856 147.381 9.0137  151.927 6.3397 830.722 25.621 845.320 17.710 -14.59772      31.14623 
1 1 1 -2  10 9  o 325.589 16.245 22.534  2.2399 0.0000  0.0000  22.534  2.2399 ?       ?      325.589 16.245 0.000000       16.24470 
1 1 1 -2  10 10 o 227.976 17.162 11.122  1.6448 0.0000  0.0000  11.122  1.6448 ?       ?      227.976 17.162 0.000000       17.16248 
1 1 1 -2  10 11 o 614.302 19.084 80.443  4.9648 83.520  6.7794  76.885  7.2911 624.260 25.644 598.019 28.790 26.24103       38.55457 
1 1 1 -2  10 12 o 266.872 19.169 15.257  2.1520 15.175  2.9041  15.356  3.2047 264.825 26.240 265.806 28.937 -0.9808655     39.06261 
1 1 1 -2  10 13 o 661.573 20.236 93.270  5.6695 90.276  7.7113  96.792  8.3644 648.968 28.058 671.578 29.410 -22.61011      40.64725 
1 1 1 -2  10 14 o 655.244 20.633 91.393  5.7255 94.592  7.8403  87.738  8.3810 665.177 27.832 639.908 30.927 25.26880       41.60653 
1 1 1 -2  10 15 o 470.707 20.377 47.104  4.0620 46.747  5.5398  47.518  5.9738 467.252 28.127 470.724 30.125 -3.472656      41.21457 
1 1 1 -2  10 16 o 1207.83 24.251 310.339 12.404 297.756 17.133  324.200 17.983 1180.37 34.275 1231.60 34.478 -51.23438      48.61536 
1 1 1 -2  10 17 f 297.848 21.651 18.947  2.7122 18.771  3.6991  19.151  3.9887 295.290 29.997 297.944 32.120 -2.654083      43.94845 
1 1 1 -2  10 18 o 438.729 29.750 41.210  5.4948 41.210  5.4948  0.0000  0.0000 438.729 29.750 ?       ?      0.000000       29.74967 
1 1 1 -2  10 19 o 674.382 31.933 97.110  9.1199 0.0000  0.0000  97.110  9.1199 ?       ?      674.382 31.933 0.000000       31.93295 
1 1 1 -2  10 20 o 346.230 22.446 25.609  3.2735 22.380  4.5157  29.185  4.7521 321.701 33.644 368.376 30.742 -46.67499      45.57391 
1 1 1 -2  10 21 o 562.157 22.054 67.256  5.2503 68.944  7.2978  65.445  7.5590 567.066 30.501 551.984 32.480 15.08252       44.55618 
1 1 1 -2  10 22 o 448.047 22.075 42.738  4.1886 45.934  5.8649  39.410  5.9841 462.478 30.109 427.534 33.314 34.94379       44.90436 
1 1 1 -2  10 23 o 867.490 23.289 160.404 8.5558 156.059 12.001  164.894 12.201 852.754 33.233 876.689 32.862 -23.93469      46.73664 
1 1 1 -2  10 24 o 415.084 22.461 36.869  3.9336 41.637  5.5880  32.186  5.5381 439.381 30.215 384.976 34.329 54.40503       45.73218 
1 1 1 -2  10 25 o 613.574 22.953 80.535  5.9641 0.0000  0.0000  80.535  5.9641 ?       ?      613.574 22.953 0.000000       22.95282 
1 1 1 -2  10 26 o 151.607 31.450 5.1546  1.9531 5.9217  2.5981  4.1579  2.9615 161.338 38.552 138.113 44.519 23.22557       58.89144 
1 1 1 -2  10 27 o 550.892 32.507 66.309  7.5503 0.0000  0.0000  66.309  7.5503 ?       ?      550.892 32.507 0.000000       32.50749 
1 1 1 -2  10 28 o 173.062 22.987 6.5626  1.6431 9.6756  2.8258  4.9726  2.0196 207.575 33.269 147.772 33.094 59.80293       46.92636 
1 1 1 -2  10 29 o 218.132 21.272 10.354  1.9401 15.415  3.3476  7.7942  2.3806 263.241 30.600 185.892 31.356 77.34866       43.81237 
1 1 1 -2  10 30 o 346.115 19.420 25.893  2.8350 31.108  4.8458  23.179  3.4958 373.890 30.880 324.964 25.609 48.92673       40.11768 
1 1 1 -2  10 31 o 331.460 19.618 23.847  2.7415 26.914  4.6456  22.208  3.3959 345.353 32.133 317.165 25.498 28.18811       41.02055 
1 1 1 -2  10 32 o 120.644 33.519 3.3880  1.7739 3.4288  2.4323  3.3415  2.5927 122.517 40.401 122.051 41.729 0.4656906      58.08240 
1 1 1 -2  11 1  o 410.400 11.777 35.714  2.0468 36.142  3.4963  35.491  2.5246 412.303 20.024 408.964 14.577 3.338531       24.76795 
1 1 1 -2  11 2  o 797.452 12.930 134.884 4.3666 134.865 7.5083  134.893 5.3677 796.071 22.271 797.134 15.901 -1.062439      27.36501 
1 1 1 -2  11 3  f 724.078 12.292 111.188 3.7692 114.484 6.4850  109.507 4.6319 733.657 20.873 718.285 15.227 15.37225       25.83665 
1 1 1 -2  11 4  o 605.032 11.629 77.623  2.9796 78.619  5.1844  77.132  3.6411 608.031 20.134 602.898 14.261 5.133240       24.67275 
1 1 1 -2  11 5  o 1189.93 13.194 300.393 6.6487 303.019 9.3445  297.701 9.4621 1194.02 18.480 1183.40 18.880 10.62012       26.41931 
1 1 1 -2  11 6  o 457.365 13.791 44.392  2.6711 44.168  3.8359  44.602  3.7218 455.668 19.878 457.975 19.190 -2.306580      27.62926 
1 1 1 -2  11 7  o 157.755 12.529 5.3132  0.8301 5.9079  1.4294  5.0105  1.0198 165.292 20.886 152.753 16.001 12.53888       26.31066 
1 1 1 -2  11 8  o 350.724 20.210 26.280  2.9890 0.0000  0.0000  26.280  2.9890 ?       ?      350.724 20.210 0.000000       20.20951 
1 1 1 -2  11 9  o 188.190 16.426 7.5877  1.2959 0.0000  0.0000  7.5877  1.2959 ?       ?      188.190 16.426 0.000000       16.42554 
1 1 1 -2  11 10 o 567.375 14.132 68.411  3.3957 73.243  5.9259  66.048  4.1434 585.106 23.915 556.943 17.567 28.16241       29.67402 
1 1 1 -2  11 11 o 273.784 14.314 15.976  1.6539 18.309  2.8708  14.818  2.0234 291.632 23.442 263.083 18.274 28.54837       29.72370 
1 1 1 -2  11 12 o 786.352 20.067 131.857 6.6824 126.743 9.1027  137.835 9.8411 768.412 27.973 800.921 29.014 -32.50928      40.30254 
1 1 1 -2  11 13 o 579.133 19.651 71.424  4.8194 72.317  6.5222  70.350  7.1528 581.394 26.490 571.961 29.632 9.433044       39.74624 
1 1 1 -2  11 14 o 639.899 20.295 87.120  5.4997 91.128  7.4805  82.405  8.1134 653.245 27.040 620.395 30.881 32.84991       41.04658 
1 1 1 -2  11 15 o 604.578 20.477 77.694  5.2429 80.458  7.1689  74.515  7.6873 614.289 27.557 589.857 30.881 24.43158       41.38907 
1 1 1 -2  11 16 o 569.958 20.625 69.010  4.9784 66.495  6.7753  71.962  7.3395 557.888 28.775 580.213 29.972 -22.32477      41.54964 
1 1 1 -2  11 17 o 269.663 29.448 15.675  3.3083 15.675  3.3083  0.0000  0.0000 269.663 29.448 ?       ?      0.000000       29.44791 
1 1 1 -2  11 18 o 306.296 21.731 20.036  2.8005 16.601  3.8069  24.088  4.1345 276.923 33.118 334.906 29.450 -57.98260      44.31861 
1 1 1 -2  11 19 o 466.772 31.656 46.736  6.2206 0.0000  0.0000  46.736  6.2206 ?       ?      466.772 31.656 0.000000       31.65602 
1 1 1 -2  11 20 o 276.767 22.730 16.409  2.6406 19.581  3.5885  12.664  3.8995 301.608 28.430 239.671 39.816 61.93733       48.92471 
1 1 1 -2  11 21 o 350.309 22.200 26.225  3.2764 24.254  4.4709  28.511  4.8154 335.160 31.883 363.680 31.579 -28.51944      44.87516 
1 1 1 -2  11 22 o 971.601 23.791 201.171 9.7892 203.009 13.623  199.208 14.076 973.149 33.055 963.470 34.500 9.679504       47.77932 
1 1 1 -2  11 23 o 483.514 22.160 49.811  4.5375 52.833  6.3463  46.651  6.4901 495.723 30.377 465.013 33.174 30.70999       44.98082 
1 1 1 -2  11 24 o 462.768 22.181 45.704  4.3470 49.110  6.1028  42.196  6.1933 477.154 30.359 441.284 33.388 35.87000       45.12669 
1 1 1 -2  11 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  11 26 o 242.992 20.400 12.714  2.0799 17.905  3.6280  10.173  2.5384 286.112 30.408 215.317 28.541 70.79555       41.70457 
1 1 1 -2  11 27 o 182.923 37.725 7.6118  2.8253 0.0000  0.0000  7.6118  2.8253 ?       ?      182.923 37.725 0.000000       37.72488 
1 1 1 -2  11 28 o 183.197 21.860 7.3244  1.6624 11.745  2.8402  5.0206  2.0504 230.150 29.843 148.299 33.445 81.85074       44.82360 
1 1 1 -2  11 29 o 163.050 24.739 5.8928  1.6546 7.5131  2.6893  4.9058  2.0989 180.591 36.420 145.873 34.514 34.71777       50.17658 
1 1 1 -2  11 30 o 145.613 26.410 4.7715  1.5686 5.4863  2.5318  4.3262  1.9984 152.555 39.029 136.454 34.548 16.10146       52.12326 
1 1 1 -2  11 31 o 282.338 24.466 17.576  2.8964 19.593  4.0315  15.423  4.1640 293.654 32.989 256.379 39.630 37.27490       51.56327 
1 1 1 -2  12 1  o 639.175 10.930 86.617  2.9586 86.664  4.1778  86.569  4.1904 638.948 15.440 638.593 15.495 0.3552856      21.87413 
1 1 1 -2  12 2  o 551.046 10.161 64.367  2.3712 67.578  3.3667  61.207  3.3403 564.337 14.087 537.025 14.688 27.31165       20.35119 
1 1 1 -2  12 3  o 862.098 13.112 157.665 4.7872 155.946 8.2191  158.548 5.8894 855.802 22.678 864.101 16.094 -8.298950      27.80836 
1 1 1 -2  12 4  o 489.540 11.182 50.815  2.3181 51.637  4.0420  50.413  2.8297 492.793 19.368 487.426 13.708 5.366608       23.72865 
1 1 1 -2  12 5  o 616.103 11.780 80.505  3.0735 80.994  5.2558  80.251  3.7889 617.017 20.114 614.869 14.551 2.148193       24.82530 
1 1 1 -2  12 6  o 636.343 12.241 85.902  3.2987 84.055  5.6815  86.841  4.0516 628.276 21.354 639.518 14.960 -11.24231      26.07236 
1 1 1 -2  12 7  o 654.801 12.737 90.988  3.5319 89.410  6.0690  91.796  4.3431 647.670 22.127 657.343 15.601 -9.673340      27.07391 
1 1 1 -2  12 8  o 395.713 12.313 33.233  2.0635 34.000  3.5034  32.825  2.5533 398.883 20.812 393.031 15.340 5.852051       25.85468 
1 1 1 -2  12 9  o 192.866 13.248 7.9370  1.0755 9.8147  1.8603  6.9945  1.3180 213.506 20.840 180.446 17.467 33.05981       27.19204 
1 1 1 -2  12 10 o 484.796 13.786 49.942  2.8303 54.088  4.9542  47.933  3.4484 502.887 23.263 474.488 17.161 28.39832       28.90783 
1 1 1 -2  12 11 o 607.319 14.546 78.409  3.7412 83.929  6.4970  75.671  4.5760 626.066 24.505 595.969 18.131 30.09735       30.48293 
1 1 1 -2  12 12 o 589.593 18.902 74.055  4.7195 77.923  6.4667  69.646  6.9034 603.350 25.309 568.823 28.751 34.52722       38.30363 
1 1 1 -2  12 13 o 602.519 19.364 77.273  4.9409 74.059  6.6840  81.145  7.3365 588.446 26.822 615.648 28.139 -27.20245      38.87428 
1 1 1 -2  12 14 o 528.014 19.624 59.283  4.3880 58.328  5.9277  60.440  6.5268 522.111 26.900 531.028 29.134 -8.917236      39.65354 
1 1 1 -2  12 15 o 589.806 20.165 73.921  5.0367 75.174  6.8324  72.430  7.4539 593.931 27.164 581.756 30.361 12.17560       40.73881 
1 1 1 -2  12 16 o 373.373 20.253 29.696  3.1905 28.647  4.3240  30.950  4.7269 365.668 28.139 379.939 29.612 -14.27087      40.84886 
1 1 1 -2  12 17 o 830.977 29.794 147.169 10.485 147.169 10.485  0.0000  0.0000 830.977 29.794 ?       ?      0.000000       29.79387 
1 1 1 -2  12 18 o 682.991 31.568 99.551  9.1309 0.0000  0.0000  99.551  9.1309 ?       ?      682.991 31.568 0.000000       31.56844 
1 1 1 -2  12 19 o 272.984 22.165 15.951  2.5403 14.432  3.3997  17.871  3.8225 258.030 31.784 287.501 31.935 -29.47095      45.05568 
1 1 1 -2  12 20 o 321.585 21.975 22.105  2.9748 19.608  4.0493  25.033  4.3847 301.074 32.262 340.888 30.702 -39.81454      44.53568 
1 1 1 -2  12 21 o 821.831 22.680 143.820 7.8936 150.187 10.863  136.698 11.490 837.896 30.614 798.445 33.980 39.45148       45.73675 
1 1 1 -2  12 22 o 633.288 22.239 85.407  5.9644 89.374  8.2085  80.971  8.6811 646.325 29.990 613.521 33.539 32.80322       44.99137 
1 1 1 -2  12 23 o 379.764 22.466 30.847  3.5970 30.897  4.8661  30.788  5.3409 378.451 30.624 377.030 33.809 1.420776       45.61691 
1 1 1 -2  12 24 o 343.317 22.359 25.273  3.2331 27.110  4.4881  23.291  4.6616 353.855 30.240 326.760 34.193 27.09442       45.64669 
1 1 1 -2  12 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  12 26 o 269.714 24.212 15.748  2.7361 12.579  3.7834  19.223  3.9617 236.483 39.147 295.916 32.129 -59.43303      50.64386 
1 1 1 -2  12 27 o 462.184 22.945 45.926  4.4910 0.0000  0.0000  45.926  4.4910 ?       ?      462.184 22.945 0.000000       22.94455 
1 1 1 -2  12 28 o 148.622 24.929 4.9060  1.5135 4.2874  2.6000  5.2231  1.8614 136.897 41.357 152.095 29.964 -15.19769      51.07127 
1 1 1 -2  12 29 o 390.178 19.059 32.737  3.1492 35.095  5.2518  31.413  3.9351 397.704 31.438 379.543 24.615 18.16144       39.92838 
1 1 1 -2  12 30 o 158.329 25.952 5.6164  1.6798 4.1545  2.6800  6.5624  2.1558 133.784 42.269 169.599 31.163 -35.81522      52.51520 
1 1 1 -2  12 31 o 273.860 24.574 16.558  2.8197 20.826  3.8708  11.734  4.1158 304.193 30.457 219.260 45.802 84.93245       55.00374 
1 1 1 -2  13 1  o 90.968  12.674 1.7892  0.4750 1.5674  0.6546  2.0358  0.6903 84.220  18.826 96.402  17.556 -12.18171      25.74151 
1 1 1 -2  13 2  o 353.817 9.6000 26.535  1.4384 25.979  2.0403  27.085  2.0283 349.899 13.769 357.286 13.405 -7.387054      19.21684 
1 1 1 -2  13 3  o 523.636 9.8848 58.125  2.1920 59.231  3.0753  56.982  3.1253 528.320 13.745 518.152 14.243 10.16803       19.79330 
1 1 1 -2  13 4  o 545.941 9.9031 63.184  2.2896 62.215  3.2381  64.154  3.2379 541.410 14.123 549.803 13.906 -8.393066      19.82005 
1 1 1 -2  13 5  o 835.122 11.204 147.908 3.9626 147.398 5.5589  148.436 5.6502 833.043 15.757 835.938 15.960 -2.895325      22.42810 
1 1 1 -2  13 6  o 320.183 11.235 21.744  1.5234 20.871  2.6197  22.190  1.8725 312.504 19.899 323.320 13.676 -10.81604      24.14508 
1 1 1 -2  13 7  o 401.661 10.121 34.213  1.7216 36.846  2.4109  31.473  2.4591 416.576 13.666 384.892 15.087 31.68381       20.35630 
1 1 1 -2  13 8  o 385.685 10.600 31.556  1.7313 30.167  2.4161  33.021  2.4821 376.746 15.144 394.189 14.868 -17.44266      21.22257 
1 1 1 -2  13 9  o 347.667 13.069 25.675  1.9241 26.151  2.2944  24.545  3.5325 350.661 15.450 337.660 24.879 13.00070       29.28582 
1 1 1 -2  13 10 o 279.228 13.334 16.565  1.5768 17.425  2.7251  16.133  1.9333 284.571 22.804 274.796 16.692 9.775116       28.26005 
1 1 1 -2  13 11 o 365.444 14.242 28.383  2.2042 23.376  3.6978  31.142  2.7452 329.074 26.766 382.506 16.947 -53.43130      31.68003 
1 1 1 -2  13 12 o 356.423 18.155 27.110  2.7312 25.589  3.7323  28.863  4.0074 344.887 25.739 366.346 25.999 -21.45905      36.58474 
1 1 1 -2  13 13 o 433.996 18.663 40.062  3.4302 42.260  4.6613  37.467  5.0660 444.290 24.874 417.447 28.833 26.84290       38.07948 
1 1 1 -2  13 14 o 341.340 19.169 24.841  2.7598 22.484  3.7001  27.796  4.1434 323.513 27.261 359.924 27.389 -36.41080      38.64324 
1 1 1 -2  13 15 o 609.975 19.882 79.043  5.1358 76.864  6.9235  81.710  7.6583 600.644 27.218 619.004 29.214 -18.35950      39.92883 
1 1 1 -2  13 16 o 793.573 28.731 134.169 9.6557 134.169 9.6557  0.0000  0.0000 793.573 28.731 ?       ?      0.000000       28.73125 
1 1 1 -2  13 17 o 936.681 30.272 187.058 12.008 187.058 12.008  0.0000  0.0000 936.681 30.272 ?       ?      0.000000       30.27215 
1 1 1 -2  13 18 o 680.712 31.308 98.899  9.0254 0.0000  0.0000  98.899  9.0254 ?       ?      680.712 31.308 0.000000       31.30828 
1 1 1 -2  13 19 o 254.169 22.142 13.844  2.3595 16.566  3.2093  10.641  3.4808 277.382 27.690 219.518 38.865 57.86420       47.72032 
1 1 1 -2  13 20 o 719.482 21.712 110.144 6.6154 99.634  8.9672  122.695 9.7994 682.578 31.021 757.576 30.544 -74.99854      43.53477 
1 1 1 -2  13 21 o 409.897 21.914 35.868  3.7902 35.107  5.1331  36.781  5.6203 404.025 30.219 413.135 32.383 -9.110809      44.29274 
1 1 1 -2  13 22 o 365.620 22.149 28.573  3.4132 29.790  4.6704  27.178  5.0006 371.951 29.903 354.341 33.731 17.61035       45.07729 
1 1 1 -2  13 23 o 380.258 22.268 30.932  3.5702 27.977  4.8574  34.405  5.2654 359.514 32.247 399.176 31.401 -39.66235      45.00982 
1 1 1 -2  13 24 o 360.433 22.505 27.862  3.4180 29.316  4.6688  26.182  5.0177 367.919 30.232 346.323 34.678 21.59653       46.00584 
1 1 1 -2  13 25 o 227.293 35.108 11.476  3.2705 11.476  3.2705  0.0000  0.0000 227.293 35.108 ?       ?      0.000000       35.10835 
1 1 1 -2  13 26 f 620.099 32.780 83.886  8.5778 0.0000  0.0000  83.886  8.5778 ?       ?      620.099 32.780 0.000000       32.78043 
1 1 1 -2  13 27 o 107.687 30.669 2.5915  1.4661 1.7843  2.0601  3.4198  2.0868 99.783  36.863 123.585 36.988 -23.80209      52.22092 
1 1 1 -2  13 28 o 324.487 19.105 22.687  2.6137 27.827  4.4296  19.942  3.2373 355.342 29.708 302.070 25.546 53.27161       39.18157 
1 1 1 -2  13 29 o 224.763 21.493 11.007  2.0208 10.374  3.2425  11.408  2.5841 212.320 37.430 226.918 27.448 -14.59825      46.41503 
1 1 1 -2  13 30 o 75.041  28.789 0.8899  1.2830 -0.7730 1.9918  2.0692  1.6773 70.637  31.775 98.669  33.565 -28.03202      46.21980 
1 1 1 -2  13 31 o 457.481 23.309 45.856  4.5009 47.772  6.1933  43.712  6.5522 460.269 31.972 436.918 35.724 23.35129       47.94163 
1 1 1 -2  14 1  o 393.608 10.005 32.844  1.6677 31.437  2.3460  34.282  2.3711 384.840 14.395 401.902 13.931 -17.06274      20.03237 
1 1 1 -2  14 2  o 392.462 9.6832 32.651  1.6094 32.871  2.2742  32.431  2.2778 393.560 13.645 390.911 13.759 2.649353       19.37804 
1 1 1 -2  14 3  o 340.565 9.4469 24.586  1.3625 23.427  1.9002  25.813  1.9547 332.248 13.505 348.775 13.234 -16.52652      18.90811 
1 1 1 -2  14 4  o 258.308 9.4367 14.144  1.0323 13.369  1.4638  14.911  1.4560 250.586 13.848 265.083 12.970 -14.49706      18.97278 
1 1 1 -2  14 5  f 269.756 9.4851 15.427  1.0836 15.363  1.5180  15.493  1.5473 269.039 13.323 269.823 13.584 -0.7831421     19.02709 
1 1 1 -2  14 6  f 478.936 11.592 48.665  2.3511 46.425  4.0468  49.806  2.8886 466.821 20.470 484.294 14.084 -17.47388      24.84728 
1 1 1 -2  14 7  o 263.509 10.031 14.727  1.1194 15.690  1.5683  13.726  1.5984 271.464 13.686 253.713 14.942 17.75043       20.26274 
1 1 1 -2  14 8  o 303.027 10.462 19.482  1.3426 18.517  1.8734  20.501  1.9251 294.738 15.059 310.559 14.637 -15.82080      21.00050 
1 1 1 -2  14 9  o 432.419 13.102 39.722  2.3993 39.694  2.8581  39.791  4.4153 431.968 15.624 430.425 24.322 1.542542       28.90796 
1 1 1 -2  14 10 o 223.940 14.376 10.704  1.3562 8.7878  2.2180  11.849  1.7139 200.650 26.770 235.250 17.325 -34.60004      31.88672 
1 1 1 -2  14 11 o 224.275 17.623 10.774  1.6604 9.1357  2.2706  12.657  2.4342 204.740 26.833 242.097 24.061 -37.35724      36.04077 
1 1 1 -2  14 12 o 450.121 17.955 43.107  3.4225 43.440  4.6900  42.727  5.0058 450.245 24.691 446.098 26.619 4.147552       36.30699 
1 1 1 -2  14 13 o 920.854 16.540 180.137 6.4502 171.373 11.054  184.662 7.9425 895.122 29.161 931.622 20.131 -36.49927      35.43480 
1 1 1 -2  14 14 o 729.008 19.840 112.953 6.1252 113.554 8.3382  112.250 9.0275 729.789 26.979 725.120 29.398 4.668762       39.90124 
1 1 1 -2  14 15 f 771.985 20.403 126.612 6.6702 122.920 9.0192  131.069 9.9098 759.526 28.040 783.972 29.848 -24.44586      40.95333 
1 1 1 -2  14 16 o 333.006 26.897 23.759  3.7607 23.759  3.7607  0.0000  0.0000 333.006 26.897 ?       ?      0.000000       26.89665 
1 1 1 -2  14 17 o 998.417 32.883 212.831 13.903 0.0000  0.0000  212.831 13.903 ?       ?      998.417 32.883 0.000000       32.88272 
1 1 1 -2  14 18 o 327.503 31.394 23.106  4.3008 0.0000  0.0000  23.106  4.3008 ?       ?      327.503 31.394 0.000000       31.39359 
1 1 1 -2  14 19 o 435.886 20.706 40.396  3.8222 42.523  5.1822  37.859  5.6601 445.669 27.593 419.586 32.097 26.08325       42.32733 
1 1 1 -2  14 20 o 541.410 21.055 62.361  4.8274 62.458  6.5350  62.245  7.1620 540.004 28.679 538.439 31.547 1.565674       42.63432 
1 1 1 -2  14 21 o 405.449 21.487 35.089  3.6762 33.882  4.9258  36.606  5.5231 396.981 29.511 412.205 31.887 -15.22372      43.44743 
1 1 1 -2  14 22 o 108.889 31.734 2.5904  1.5530 0.9839  2.0170  4.9295  2.4338 90.288  35.673 148.481 38.414 -58.19287      52.42328 
1 1 1 -2  14 23 o 1087.53 24.085 252.592 11.093 258.352 15.212  246.049 16.211 1095.89 32.777 1067.84 35.848 28.05444       48.57317 
1 1 1 -2  14 24 o 418.225 30.469 37.875  5.3594 37.875  5.3594  0.0000  0.0000 418.225 30.469 ?       ?      0.000000       30.46894 
1 1 1 -2  14 25 o 241.101 33.093 12.834  3.2898 12.834  3.2898  0.0000  0.0000 241.101 33.093 ?       ?      0.000000       33.09334 
1 1 1 -2  14 26 o 260.231 35.674 15.068  3.8279 0.0000  0.0000  15.068  3.8279 ?       ?      260.231 35.674 0.000000       35.67361 
1 1 1 -2  14 27 o 389.610 22.552 32.769  3.7051 31.365  5.1215  34.311  5.3667 377.347 32.362 394.773 32.386 -17.42618      45.78401 
1 1 1 -2  14 28 o 449.337 22.351 43.619  4.2532 44.203  5.8782  42.978  6.1617 447.162 31.237 439.616 33.345 7.545898       45.69080 
1 1 1 -2  14 29 f 248.686 20.483 13.428  2.1380 13.017  3.5660  13.659  2.6714 238.651 36.439 249.093 25.693 -10.44148      44.58645 
1 1 1 -2  14 30 o 273.295 24.400 16.448  2.7943 14.608  3.7515  18.741  4.1877 251.732 36.235 286.154 35.306 -34.42230      50.59090 
1 1 1 -2  14 31 o 217.372 21.499 10.375  1.9532 11.032  3.1430  9.9619  2.4930 218.079 35.233 210.065 28.780 8.013809       45.49355 
1 1 1 -2  15 1  o 439.478 10.067 40.950  1.8736 40.844  2.6440  41.058  2.6554 438.619 14.234 439.764 14.259 -1.144226      20.14748 
1 1 1 -2  15 2  o 479.809 9.9456 48.810  2.0209 48.685  2.8599  48.935  2.8561 478.880 14.102 480.115 14.047 -1.234436      19.90427 
1 1 1 -2  15 3  o 317.499 9.5421 21.371  1.2830 20.214  1.7960  22.577  1.8335 308.579 13.743 326.151 13.275 -17.57172      19.10740 
1 1 1 -2  15 4  f 180.930 9.9091 6.9618  0.7564 6.3672  1.0577  7.5842  1.0821 172.539 14.612 188.521 13.646 -15.98250      19.99329 
1 1 1 -2  15 5  o 146.629 12.318 4.5948  0.7578 4.3405  0.9233  5.1196  1.3265 142.073 15.603 153.607 20.938 -11.53384      26.11204 
1 1 1 -2  15 6  o 248.442 9.8385 13.090  1.0351 13.129  1.4429  13.049  1.4859 248.246 13.779 247.436 14.240 0.8094177      19.81495 
1 1 1 -2  15 7  o 636.825 10.771 86.048  2.9049 83.523  4.0706  88.668  4.1467 626.757 15.336 645.801 15.162 -19.04425      21.56592 
1 1 1 -2  15 8  o 399.913 10.546 33.936  1.7861 32.032  2.4778  35.995  2.5770 388.109 15.075 411.450 14.790 -23.34164      21.11851 
1 1 1 -2  15 9  o 214.066 13.381 9.7747  1.2070 10.560  1.4512  8.0118  2.1741 222.264 15.515 191.210 27.652 31.05394       31.70709 
1 1 1 -2  15 10 f 176.237 17.329 6.6759  1.2766 7.1618  1.7212  6.0816  1.9035 181.640 22.883 166.082 28.063 15.55878       36.21014 
1 1 1 -2  15 11 o 125.988 21.325 3.4778  1.0972 5.0063  1.5464  1.9281  1.5571 151.038 25.054 97.125  32.339 53.91318       40.90867 
1 1 1 -2  15 12 o 429.490 14.513 39.172  2.6398 37.045  4.4804  40.303  3.2671 415.645 25.578 435.337 17.721 -19.69165      31.11687 
1 1 1 -2  15 13 f 251.095 15.754 13.439  1.6667 13.002  2.6854  13.713  2.1258 245.506 26.235 253.149 19.991 -7.643127      32.98347 
1 1 1 -2  15 14 o 549.569 19.010 64.158  4.4244 65.270  6.0390  62.870  6.5005 553.567 25.760 542.228 28.407 11.33923       38.34797 
1 1 1 -2  15 15 o 375.935 25.994 30.223  4.1130 30.223  4.1130  0.0000  0.0000 375.935 25.994 ?       ?      0.000000       25.99433 
1 1 1 -2  15 16 o 442.102 19.674 41.507  3.6835 44.726  4.9850  37.636  5.4670 457.725 25.822 418.952 31.034 38.77267       40.37193 
1 1 1 -2  15 17 f 1404.67 36.620 422.270 21.784 0.0000  0.0000  422.270 21.784 ?       ?      1404.67 36.620 0.000000       36.61964 
1 1 1 -2  15 18 o 574.229 20.443 70.079  4.9713 72.740  6.7281  66.879  7.3778 584.201 27.195 558.730 31.306 25.47125       41.46863 
1 1 1 -2  15 19 o 1096.35 23.149 255.882 10.748 245.645 14.657  267.791 15.808 1071.49 32.301 1118.35 33.378 -46.86511      46.44815 
1 1 1 -2  15 20 o 1304.98 24.796 363.040 13.703 350.575 18.760  377.298 20.064 1278.28 34.655 1325.55 35.742 -47.27258      49.78392 
1 1 1 -2  15 21 o 1070.00 23.526 243.995 10.661 243.967 14.548  244.027 15.667 1066.95 32.197 1066.05 34.702 0.8985596      47.33780 
1 1 1 -2  15 22 o 609.680 21.619 79.179  5.5819 70.078  7.5072  90.431  8.3474 570.926 31.167 649.693 30.339 -78.76630      43.49542 
1 1 1 -2  15 23 o 413.980 21.612 36.655  3.7758 33.216  5.0823  40.890  5.6407 391.958 30.868 435.143 30.809 -43.18463      43.61190 
1 1 1 -2  15 24 o 532.743 29.684 61.338  6.6705 61.338  6.6705  0.0000  0.0000 532.743 29.684 ?       ?      0.000000       29.68443 
1 1 1 -2  15 25 o 257.943 23.814 14.397  2.5720 14.991  3.4387  13.643  3.8750 261.145 31.747 246.906 38.300 14.23927       49.74669 
1 1 1 -2  15 26 o 101.452 38.453 1.6960  2.2717 0.0000  0.0000  1.6960  2.2717 ?       ?      101.452 38.453 0.000000       38.45277 
1 1 1 -2  15 27 o 510.867 22.203 56.192  4.8035 54.867  6.5377  57.746  7.0812 500.025 31.027 511.952 32.835 -11.92654      45.17502 
1 1 1 -2  15 28 o 375.845 22.404 30.645  3.5497 28.015  4.8188  33.766  5.2488 354.665 32.443 389.812 32.080 -35.14764      45.62501 
1 1 1 -2  15 29 o 189.062 27.440 7.9795  2.1328 6.8658  2.8190  9.4704  3.2617 170.777 39.727 201.284 39.675 -30.50705      56.14522 
1 1 1 -2  15 30 o 632.951 22.955 87.387  6.1531 81.189  8.4222  94.482  9.0112 599.749 33.291 647.476 32.973 -47.72742      46.85575 
1 1 1 -2  15 31 o 273.395 20.268 16.306  2.3300 17.567  3.7994  15.547  2.9497 277.390 32.990 264.075 26.745 13.31540       42.46939 
1 1 1 -2  16 1  o 485.333 10.179 49.950  2.0922 52.634  2.9607  47.272  2.9570 497.874 14.042 471.758 14.801 26.11557       20.40203 
1 1 1 -2  16 2  f 461.949 9.9107 45.249  1.9388 45.140  2.7442  45.358  2.7396 461.063 14.055 462.180 13.997 -1.117096      19.83550 
1 1 1 -2  16 3  f 508.516 9.9014 54.834  2.1323 55.181  2.9911  54.476  3.0405 509.768 13.855 506.470 14.176 3.298615       19.82231 
1 1 1 -2  16 4  o 322.770 9.5748 22.091  1.3088 22.416  1.8506  21.766  1.8512 324.912 13.450 320.154 13.654 4.758636       19.16532 
1 1 1 -2  16 5  f 587.600 11.759 73.275  2.9263 72.173  3.5676  75.541  5.1155 582.830 14.454 595.290 20.292 -12.46051      24.91325 
1 1 1 -2  16 6  o 429.456 9.8906 39.120  1.7988 37.629  2.5087  40.699  2.5807 420.815 14.077 437.664 13.923 -16.84918      19.79955 
1 1 1 -2  16 7  o 600.735 10.672 76.581  2.7151 73.259  3.7824  80.112  3.8997 586.908 15.218 613.780 15.003 -26.87256      21.36970 
1 1 1 -2  16 8  o 289.825 12.226 17.838  1.5006 17.297  1.7827  19.154  2.7793 284.816 14.832 298.535 22.142 -13.71814      26.65006 
1 1 1 -2  16 9  o 591.657 16.335 74.504  4.0928 75.377  5.4604  73.383  6.1830 593.955 21.708 585.204 24.949 8.751648       33.07094 
1 1 1 -2  16 10 f 328.612 13.309 22.938  1.8521 21.589  3.0232  23.748  2.3433 317.071 22.664 334.077 16.563 -17.00571      28.07109 
1 1 1 -2  16 11 o 246.380 14.711 12.941  1.5279 14.670  2.5334  11.953  1.9155 261.153 23.147 236.150 19.323 25.00322       30.15203 
1 1 1 -2  16 12 o 405.713 14.369 34.943  2.4688 33.348  4.1572  35.812  3.0684 394.552 25.009 410.459 17.652 -15.90646      30.61163 
1 1 1 -2  16 13 o 382.829 14.898 31.102  2.4153 29.461  4.0244  32.026  3.0196 370.890 25.782 388.250 18.365 -17.35953      31.65427 
1 1 1 -2  16 14 o 687.255 18.895 100.313 5.4993 97.735  7.7079  102.986 7.8484 677.325 26.872 695.318 26.653 -17.99316      37.84821 
1 1 1 -2  16 15 o 246.770 27.619 13.129  2.8369 13.129  2.8369  0.0000  0.0000 246.770 27.619 ?       ?      0.000000       27.61948 
1 1 1 -2  16 16 o 1749.09 40.065 655.840 29.677 0.0000  0.0000  655.840 29.677 ?       ?      1749.09 40.065 0.000000       40.06511 
1 1 1 -2  16 17 o 644.138 20.191 88.154  5.5079 87.431  7.4435  89.029  8.1883 640.573 27.439 646.020 29.930 -5.446533      40.60378 
1 1 1 -2  16 18 o 550.106 20.222 64.322  4.7110 66.067  6.3444  62.177  7.0336 556.705 26.910 538.619 30.966 18.08636       41.02499 
1 1 1 -2  16 19 o 841.539 21.527 150.682 7.6717 148.438 10.383  153.379 11.385 833.510 29.415 846.644 31.753 -13.13385      43.28387 
1 1 1 -2  16 20 o 591.256 20.828 74.389  5.2151 72.373  7.0090  76.889  7.8058 581.952 28.440 598.575 30.899 -16.62256      41.99440 
1 1 1 -2  16 21 o 684.926 21.336 99.877  6.1886 95.727  8.3428  104.955 9.2281 668.901 29.451 699.979 31.130 -31.07770      42.85429 
1 1 1 -2  16 22 o 746.790 21.812 118.848 6.8981 119.883 9.3071  117.588 10.275 748.091 29.378 739.845 32.795 8.245789       44.02948 
1 1 1 -2  16 23 o 730.649 22.040 113.974 6.8197 115.410 9.2369  112.253 10.111 732.769 29.766 721.415 33.096 11.35413       44.51211 
1 1 1 -2  16 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  16 25 o 203.169 38.638 9.3382  3.2029 0.0000  0.0000  9.3382  3.2029 ?       ?      203.169 38.638 0.000000       38.63787 
1 1 1 -2  16 26 o 403.777 22.372 35.124  3.8106 33.371  5.0921  37.356  5.7448 390.448 31.052 412.299 33.183 -21.85001      45.44604 
1 1 1 -2  16 27 o 594.787 22.162 76.245  5.5822 74.918  7.5294  77.865  8.3183 584.297 30.535 593.817 33.211 -9.519897      45.11460 
1 1 1 -2  16 28 o 319.583 23.137 22.235  3.1102 21.781  4.1505  22.818  4.6968 312.535 31.802 318.057 35.475 -5.522369      47.64281 
1 1 1 -2  16 29 o 309.255 23.559 20.913  3.0622 20.921  4.0755  20.903  4.6405 305.327 31.994 302.394 37.009 2.933319       48.92099 
1 1 1 -2  16 30 o 177.884 27.862 7.1506  2.0300 4.3746  2.6152  11.359  3.2199 135.696 41.581 221.308 35.560 -85.61151      54.71246 
1 1 1 -2  16 31 o 86.146  29.929 1.5304  1.3359 0.2537  1.9887  2.5800  1.8033 79.336  33.767 107.108 34.761 -27.77193      48.46179 
1 1 1 -2  17 1  o 93.985  13.748 1.9153  0.5310 1.6880  0.7365  2.1615  0.7663 87.270  20.309 99.122  18.946 -11.85214      27.77484 
1 1 1 -2  17 2  o 322.086 9.8132 22.000  1.3385 21.100  1.8829  22.920  1.9032 315.171 14.107 328.510 13.680 -13.33923      19.65081 
1 1 1 -2  17 3  o 189.902 10.325 7.6720  0.8273 7.4150  1.1397  7.9581  1.2027 186.246 14.566 192.953 14.832 -6.706802      20.78808 
1 1 1 -2  17 4  o 152.375 11.333 4.9542  0.7261 5.0374  0.9621  4.8441  1.1066 153.218 15.020 149.810 17.790 3.408096       23.28302 
1 1 1 -2  17 5  o 203.422 20.318 8.9142  1.7269 8.9142  1.7269  0.0000  0.0000 203.422 20.318 ?       ?      0.000000       20.31802 
1 1 1 -2  17 6  o 238.774 11.513 12.103  1.1642 11.069  1.4179  14.243  2.0394 227.684 14.785 257.801 18.810 -30.11723      23.92554 
1 1 1 -2  17 7  o 663.024 12.698 93.379  3.5655 95.324  4.3168  89.205  6.3246 669.427 15.227 645.670 23.130 23.75690       27.69225 
1 1 1 -2  17 8  o 490.321 12.525 51.065  2.6009 53.055  3.1207  46.537  4.7063 499.488 14.753 465.576 23.951 33.91196       28.12971 
1 1 1 -2  17 9  o 585.323 16.126 72.893  3.9972 72.663  5.3314  73.189  6.0405 583.293 21.583 584.710 24.394 -1.416931      32.57178 
1 1 1 -2  17 10 o 458.738 13.185 44.687  2.5614 45.348  4.2276  44.303  3.2197 461.012 21.654 456.378 16.659 4.633484       27.32037 
1 1 1 -2  17 11 o 343.479 13.881 25.048  2.0191 23.173  3.3266  26.142  2.5407 328.635 24.070 350.657 17.109 -22.02216      29.53070 
1 1 1 -2  17 12 o 342.427 14.501 24.887  2.1028 25.341  3.4841  24.628  2.6374 343.995 24.068 339.899 18.391 4.096252       30.28993 
1 1 1 -2  17 13 o 798.843 18.772 135.568 6.3507 131.835 9.0078  139.257 8.9551 786.388 27.048 808.398 26.158 -22.00983      37.62746 
1 1 1 -2  17 14 o 807.314 19.241 138.418 6.5782 141.936 9.2455  134.811 9.3616 816.377 26.742 795.440 27.791 20.93738       38.56755 
1 1 1 -2  17 15 o 398.652 19.620 33.750  3.3123 0.0000  0.0000  33.750  3.3123 ?       ?      398.652 19.620 0.000000       19.61992 
1 1 1 -2  17 16 o 595.752 28.872 75.653  7.2843 0.0000  0.0000  75.653  7.2843 ?       ?      595.752 28.872 0.000000       28.87194 
1 1 1 -2  17 17 o 829.882 20.949 146.389 7.3625 146.813 9.9981  145.885 10.882 829.749 28.453 826.560 31.089 3.188171       42.14373 
1 1 1 -2  17 18 o 666.958 20.424 94.577  5.7687 94.987  7.7866  94.078  8.5885 667.289 27.554 663.523 30.565 3.765686       41.15139 
1 1 1 -2  17 19 o 434.235 20.299 40.106  3.7329 40.598  5.0343  39.504  5.5636 435.246 27.453 428.641 30.856 6.605621       41.30076 
1 1 1 -2  17 20 o 449.045 20.439 42.906  3.8868 42.197  5.2021  43.802  5.8480 443.546 27.836 451.304 30.782 -7.758850      41.50106 
1 1 1 -2  17 21 f 705.546 21.331 106.001 6.3735 109.176 8.6166  102.166 9.4707 714.466 28.478 690.137 32.404 24.32947       43.13997 
1 1 1 -2  17 22 o 239.821 22.712 12.376  2.2791 12.022  2.9930  12.865  3.5162 234.741 30.855 241.908 35.367 -7.166672      46.93490 
1 1 1 -2  17 23 o 352.426 21.723 26.625  3.2264 27.772  4.3211  25.179  4.8501 358.365 28.714 339.622 34.187 18.74252       44.64532 
1 1 1 -2  17 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  17 25 o 277.965 36.167 17.175  4.1566 0.0000  0.0000  17.175  4.1566 ?       ?      277.965 36.167 0.000000       36.16739 
1 1 1 -2  17 26 o 359.155 22.543 27.842  3.4114 31.342  4.5652  23.415  5.1337 379.000 28.655 323.460 38.215 55.53983       47.76483 
1 1 1 -2  17 27 o 325.247 22.759 22.955  3.1150 21.816  4.1389  24.443  4.7308 313.553 31.600 330.765 34.270 -17.21191      46.61564 
1 1 1 -2  17 28 o 371.058 22.719 29.930  3.5528 30.652  4.7379  29.003  5.3702 371.802 30.355 358.455 35.857 13.34735       46.98072 
1 1 1 -2  17 29 o 268.927 24.255 15.898  2.7327 16.816  3.6800  14.770  4.0800 272.804 32.492 251.744 39.576 21.05971       51.20557 
1 1 1 -2  17 30 o 454.210 22.630 45.050  4.3529 41.986  5.8833  48.757  6.4703 430.631 32.500 463.580 33.177 -32.94913      46.44324 
1 1 1 -2  18 1  o 631.770 12.323 84.742  3.2970 80.923  4.0528  92.216  5.6691 616.883 15.514 657.515 20.359 -40.63123      25.59634 
1 1 1 -2  18 2  o 619.601 12.166 81.506  3.1923 79.649  3.8990  85.283  5.5599 612.072 15.042 632.195 20.767 -20.12262      25.64236 
1 1 1 -2  18 3  o 156.525 12.463 5.2354  0.8193 4.8200  0.9897  6.1394  1.4602 149.701 15.853 168.333 20.935 -18.63203      26.26025 
1 1 1 -2  18 4  o 678.968 12.319 97.900  3.5423 96.908  4.3513  99.849  6.0993 675.000 15.222 683.776 21.063 -8.775940      25.98797 
1 1 1 -2  18 5  o 403.165 20.550 34.790  3.4970 34.790  3.4970  0.0000  0.0000 403.165 20.550 ?       ?      0.000000       20.55021 
1 1 1 -2  18 6  o 344.753 10.050 25.218  1.4674 24.152  2.0973  26.240  2.0537 337.003 14.696 351.356 13.802 -14.35263      20.16087 
1 1 1 -2  18 7  f 351.346 12.026 26.215  1.7894 26.470  2.9492  26.066  2.2511 351.623 19.887 350.047 15.186 1.576874       25.02197 
1 1 1 -2  18 8  o 441.767 12.124 41.439  2.2682 41.684  3.7543  41.298  2.8465 442.004 20.057 440.660 15.253 1.343933       25.19801 
1 1 1 -2  18 9  o 144.757 18.070 4.5302  1.0836 4.2585  1.4021  4.9333  1.7076 139.066 24.714 149.279 28.042 -10.21320      37.37783 
1 1 1 -2  18 10 o 409.288 11.623 35.543  2.0146 34.123  2.8053  37.054  2.8949 400.618 16.535 417.485 16.374 -16.86676      23.27033 
1 1 1 -2  18 11 o 311.618 16.849 20.694  2.2152 21.052  3.0530  20.296  3.2193 313.427 23.165 307.426 24.942 6.001282       34.03997 
1 1 1 -2  18 12 o 266.298 17.654 15.129  1.9797 14.996  2.6912  15.287  2.9225 264.224 24.324 266.490 26.236 -2.266205      35.77686 
1 1 1 -2  18 13 o 252.290 19.075 13.597  2.0230 15.159  2.7198  11.662  3.0267 265.768 24.439 231.577 31.694 34.19084       40.02227 
1 1 1 -2  18 14 o 691.252 19.300 101.476 5.6498 0.0000  0.0000  101.476 5.6498 ?       ?      691.252 19.300 0.000000       19.29990 
1 1 1 -2  18 15 o 761.108 19.794 123.038 6.3801 0.0000  0.0000  123.038 6.3801 ?       ?      761.108 19.794 0.000000       19.79415 
1 1 1 -2  18 16 o 183.834 19.120 7.2547  1.4668 8.2319  2.2917  6.5767  1.9090 194.458 28.690 173.722 26.811 20.73601       39.26741 
1 1 1 -2  18 17 o 566.888 19.700 68.290  4.7295 67.148  6.4238  69.642  6.9890 561.248 27.027 570.563 29.021 -9.314880      39.65633 
1 1 1 -2  18 18 o 753.394 20.638 120.718 6.5847 125.637 8.9026  114.776 9.7841 767.308 27.397 732.471 31.542 34.83716       41.77882 
1 1 1 -2  18 19 o 911.074 21.611 176.692 8.3384 174.031 11.284  179.893 12.376 902.126 29.535 916.451 31.889 -14.32501      43.46534 
1 1 1 -2  18 20 o 1033.38 22.595 227.506 9.8881 225.793 13.415  229.543 14.632 1026.77 30.851 1034.26 33.406 -7.481201      45.47257 
1 1 1 -2  18 21 o 473.163 20.476 47.664  4.1030 47.293  5.4639  48.144  6.2131 469.492 27.603 472.862 31.202 -3.370270      41.65876 
1 1 1 -2  18 22 o 582.568 21.005 72.359  5.1821 71.547  6.9342  73.386  7.7990 577.669 28.345 583.323 31.690 -5.653625      42.51648 
1 1 1 -2  18 23 o 238.549 31.251 12.477  3.0812 12.477  3.0812  0.0000  0.0000 238.549 31.251 ?       ?      0.000000       31.25123 
1 1 1 -2  18 24 o 257.056 36.973 14.711  3.9091 0.0000  0.0000  14.711  3.9091 ?       ?      257.056 36.973 0.000000       36.97350 
1 1 1 -2  18 25 o 496.099 33.468 53.940  6.9902 0.0000  0.0000  53.940  6.9902 ?       ?      496.099 33.468 0.000000       33.46760 
1 1 1 -2  18 26 o 444.160 22.010 42.432  4.1401 49.609  5.5639  33.527  6.1971 477.392 27.639 387.163 38.298 90.22852       47.23004 
1 1 1 -2  18 27 o 480.419 22.024 49.850  4.4809 46.190  5.9791  54.539  6.7680 457.103 31.072 495.956 32.401 -38.85233      44.89214 
1 1 1 -2  18 28 f 333.837 23.105 24.287  3.2464 21.610  4.2890  27.878  4.9676 310.182 33.165 352.359 33.702 -42.17694      47.28325 
1 1 1 -2  18 29 o 290.350 23.661 18.512  2.8840 19.831  3.9014  16.923  4.2825 296.600 31.544 269.799 38.580 26.80139       49.83409 
1 1 1 -2  18 30 o 116.924 32.506 3.1843  1.6678 5.1659  2.1650  0.2922  2.6155 147.892 35.096 89.557  38.436 58.33441       52.04813 
1 1 1 -2  19 1  o 814.553 16.698 141.258 5.7601 146.889 8.1542  135.650 8.1379 828.526 23.240 795.868 24.145 32.65796       33.51208 
1 1 1 -2  19 2  f 209.656 15.425 9.4007  1.3599 8.5970  1.8567  10.331  1.9974 199.303 22.385 218.802 21.848 -19.49950      31.27984 
1 1 1 -2  19 3  o 172.389 15.552 6.3735  1.1231 4.8589  1.4927  8.3500  1.7052 148.703 24.561 196.673 20.788 -47.97008      32.17709 
1 1 1 -2  19 4  o 300.863 12.074 19.223  1.5384 15.873  2.4748  21.332  1.9639 271.677 21.691 316.724 14.642 -45.04684      26.16995 
1 1 1 -2  19 5  o 303.899 21.096 19.825  2.6983 0.0000  0.0000  19.825  2.6983 ?       ?      303.899 21.096 0.000000       21.09642 
1 1 1 -2  19 6  o 337.621 11.637 24.202  1.6638 28.181  2.8031  22.038  2.0674 363.143 18.286 321.866 15.167 41.27707       23.75719 
1 1 1 -2  19 7  o 463.239 12.060 45.565  2.3659 42.847  3.9083  47.138  2.9723 448.013 20.599 470.818 14.907 -22.80466      25.42762 
1 1 1 -2  19 8  o 515.508 10.823 56.389  2.3627 52.234  3.2764  60.891  3.4103 495.592 15.611 535.169 15.047 -39.57669      21.68237 
1 1 1 -2  19 9  o 774.288 16.202 127.469 5.3127 118.149 7.4450  137.139 7.5834 743.722 23.638 801.637 22.338 -57.91498      32.52279 
1 1 1 -2  19 10 o 260.089 14.667 14.410  1.6089 14.586  1.9820  14.070  2.7549 261.282 18.022 255.372 25.828 5.910492       31.49443 
1 1 1 -2  19 11 o 371.110 16.517 29.251  2.5959 28.931  3.4868  29.649  3.8882 367.922 22.486 372.105 24.816 -4.182404      33.48860 
1 1 1 -2  19 12 o 683.234 14.345 99.036  4.1505 98.908  6.9584  99.106  5.1711 681.594 24.107 683.113 17.875 -1.519348      30.01088 
1 1 1 -2  19 13 o 392.807 18.061 32.760  3.0045 0.0000  0.0000  32.760  3.0045 ?       ?      392.807 18.061 0.000000       18.06146 
1 1 1 -2  19 14 o 771.511 19.231 126.404 6.2832 0.0000  0.0000  126.404 6.2832 ?       ?      771.511 19.231 0.000000       19.23057 
1 1 1 -2  19 15 o 1011.68 16.968 217.225 7.2697 210.495 12.315  220.825 9.0062 993.602 29.267 1019.42 20.862 -25.81818      35.94128 
1 1 1 -2  19 16 o 908.734 16.784 175.291 6.4593 181.502 10.877  171.907 8.0284 922.706 27.834 899.281 21.081 23.42535       34.91652 
1 1 1 -2  19 17 o 484.321 16.240 49.797  3.3309 55.103  5.4010  46.539  4.2315 508.569 25.077 467.773 21.361 40.79593       32.94153 
1 1 1 -2  19 18 o 307.563 20.384 20.208  2.6400 21.624  3.5835  18.527  3.9040 317.199 26.931 292.482 32.043 24.71683       41.85738 
1 1 1 -2  19 19 o 911.470 21.655 176.888 8.3587 185.512 11.335  166.610 12.375 931.472 28.736 881.335 33.156 50.13727       43.87527 
1 1 1 -2  19 20 o 733.014 20.936 114.391 6.4990 112.559 8.7411  116.656 9.7183 725.461 28.452 737.832 31.102 -12.37085      42.15239 
1 1 1 -2  19 21 o 346.996 21.159 25.746  3.0944 25.413  4.1283  26.173  4.6749 343.350 28.653 347.700 32.111 -4.350128      43.03669 
1 1 1 -2  19 22 o 706.574 21.244 106.524 6.3568 102.719 8.5458  111.238 9.5112 691.509 29.182 718.860 31.243 -27.35107      42.75127 
1 1 1 -2  19 23 o 211.225 32.201 9.8597  2.7894 9.8597  2.7894  0.0000  0.0000 211.225 32.201 ?       ?      0.000000       32.20143 
1 1 1 -2  19 24 o 376.346 33.813 31.085  5.3315 0.0000  0.0000  31.085  5.3315 ?       ?      376.346 33.813 0.000000       33.81275 
1 1 1 -2  19 25 o 328.289 22.093 23.242  3.0536 16.942  3.9733  32.331  4.7725 276.154 34.744 384.900 29.504 -108.7454      45.58105 
1 1 1 -2  19 26 o 438.217 21.504 41.322  3.9908 38.096  5.2709  45.655  6.1090 416.625 30.077 455.301 31.884 -38.67596      43.83147 
1 1 1 -2  19 27 o 183.591 26.466 7.4904  1.9983 8.1731  2.6199  6.5409  3.0899 189.299 33.927 166.007 43.446 23.29207       55.12379 
1 1 1 -2  19 28 o 386.211 22.254 32.437  3.6244 36.860  4.8362  26.770  5.4742 408.649 28.117 341.879 38.479 66.77045       47.65649 
1 1 1 -2  19 29 o 125.647 32.192 3.6746  1.7207 4.0484  2.2319  3.1269  2.7016 131.028 38.003 119.978 42.495 11.05061       57.00926 
1 1 1 -2  19 30 o 106.931 32.623 2.6208  1.6120 0.0000  2.0559  6.8032  2.5972 77.997  33.778 169.085 37.274 -91.08795      50.30203 
1 1 1 -2  20 1  o 74.394  23.557 1.1667  0.8320 0.6673  1.4896  1.3931  1.0031 76.643  30.538 81.306  25.878 -4.663353      40.02793 
1 1 1 -2  20 2  o 213.003 13.038 9.6762  1.1704 6.9304  2.2556  10.688  1.3692 176.674 31.292 223.718 14.531 -47.04453      34.50146 
1 1 1 -2  20 3  o 152.277 19.515 5.0275  1.2295 6.4051  1.8610  3.9606  1.6378 170.744 26.604 133.006 29.815 37.73856       39.95871 
1 1 1 -2  20 4  o 604.321 12.346 77.573  3.1597 74.385  3.8454  84.200  5.5439 591.266 15.357 627.786 20.853 -36.51959      25.89759 
1 1 1 -2  20 5  o 395.172 14.910 33.213  2.4952 36.624  3.5119  29.736  3.5459 414.233 20.020 372.181 22.604 42.05182       30.19511 
1 1 1 -2  20 6  o 301.389 12.217 19.289  1.5593 20.024  1.9390  17.945  2.6235 306.858 14.921 289.034 21.589 17.82489       26.24381 
1 1 1 -2  20 7  o 468.859 12.265 46.674  2.4353 44.042  2.9559  52.235  4.2967 455.102 15.337 494.802 20.505 -39.70038      25.60604 
1 1 1 -2  20 8  f 154.394 16.260 5.1244  1.0472 4.5283  1.2288  6.7057  2.0014 144.303 20.701 174.758 27.987 -30.45499      34.81066 
1 1 1 -2  20 9  o 668.524 15.615 94.958  4.4209 94.056  6.2059  95.887  6.2994 664.215 22.062 670.622 22.181 -6.407410      31.28462 
1 1 1 -2  20 10 o 276.349 12.422 16.200  1.4537 15.297  2.0612  17.094  2.0506 267.631 18.296 283.118 17.184 -15.48654      25.10056 
1 1 1 -2  20 11 o 1070.20 16.377 243.174 7.4226 234.260 13.166  247.328 8.9869 1047.18 29.689 1078.66 19.674 -31.48035      35.61541 
1 1 1 -2  20 12 o 943.456 19.452 189.104 7.7718 0.0000  0.0000  189.104 7.7718 ?       ?      943.456 19.452 0.000000       19.45153 
1 1 1 -2  20 13 o 395.914 14.684 33.249  2.4619 34.847  4.0358  32.302  3.1070 404.068 23.688 390.016 18.811 14.05139       30.24870 
1 1 1 -2  20 14 o 539.715 14.932 61.791  3.4129 65.781  5.6636  59.516  4.2766 556.073 24.050 529.386 19.076 26.68701       30.69668 
1 1 1 -2  20 15 o 682.636 15.514 98.874  4.4849 99.646  7.5661  98.456  5.5686 684.013 26.120 680.808 19.314 3.205078       32.48496 
1 1 1 -2  20 16 o 393.758 15.725 32.906  2.6222 28.406  4.2573  35.656  3.3286 363.918 27.835 409.654 19.187 -45.73557      33.80727 
1 1 1 -2  20 17 o 521.521 19.195 57.812  4.2394 53.516  5.7549  62.910  6.2689 500.072 27.278 542.284 27.386 -42.21234      38.65293 
1 1 1 -2  20 18 o 412.438 16.373 36.129  2.8598 38.273  4.6349  34.811  3.6340 422.737 26.016 403.862 21.323 18.87442       33.63776 
1 1 1 -2  20 19 o 795.903 20.934 134.852 7.0560 134.383 9.5659  135.412 10.450 792.718 28.495 795.018 31.038 -2.300049      42.13446 
1 1 1 -2  20 20 o 518.144 20.294 57.150  4.4531 58.767  5.9972  55.163  6.6484 523.654 27.136 506.325 31.157 17.32867       41.31763 
1 1 1 -2  20 21 o 365.469 21.008 28.560  3.2378 30.190  4.3308  26.493  4.8752 374.528 27.497 349.337 33.359 25.19150       43.23097 
1 1 1 -2  20 22 o 469.510 27.942 47.515  5.5306 47.515  5.5306  0.0000  0.0000 469.510 27.942 ?       ?      0.000000       27.94161 
1 1 1 -2  20 23 o 647.235 21.088 89.603  5.7802 83.893  7.7408  96.800  8.6903 623.355 29.323 668.988 30.674 -45.63342      42.43515 
1 1 1 -2  20 24 o 323.388 33.733 23.040  4.5518 0.0000  0.0000  23.040  4.5518 ?       ?      323.388 33.733 0.000000       33.73305 
1 1 1 -2  20 25 o 465.738 21.277 46.566  4.1967 52.431  5.5780  38.914  6.3706 491.518 26.900 418.980 36.262 72.53726       45.14973 
1 1 1 -2  20 26 f 404.546 21.628 35.365  3.6920 35.335  4.8661  35.406  5.6675 401.274 28.827 399.063 33.855 2.210449       44.46515 
1 1 1 -2  20 27 f 309.692 22.494 20.877  2.9300 18.319  3.8099  24.580  4.5838 286.017 32.002 331.130 33.132 -45.11383      46.06418 
1 1 1 -2  20 28 o 210.206 24.694 9.7647  2.1564 8.0823  2.8161  12.149  3.3527 186.249 37.008 230.086 35.555 -43.83725      51.31992 
1 1 1 -2  20 29 o 404.298 22.296 35.767  3.8027 36.799  5.0562  34.423  5.7699 405.143 29.676 387.145 35.591 17.99820       46.33986 
1 1 1 -2  20 30 f 121.790 30.619 3.4557  1.5776 2.9964  2.0200  4.1738  2.5258 114.245 36.762 132.246 40.920 -18.00160      55.00793 
1 1 1 -2  21 1  o 605.823 12.510 77.962  3.2096 76.190  5.4756  78.890  3.9615 597.009 21.658 608.928 15.362 -11.91895      26.55265 
1 1 1 -2  21 2  o 726.898 12.817 112.255 3.9455 105.539 6.7485  115.742 4.8633 702.337 22.689 737.521 15.571 -35.18365      27.51806 
1 1 1 -2  21 3  o 389.172 11.785 32.159  1.9423 34.495  3.3768  31.004  2.3744 402.039 19.833 381.826 14.684 20.21329       24.67755 
1 1 1 -2  21 4  o 235.769 13.759 11.854  1.3678 9.7176  2.2919  13.036  1.7046 211.265 26.177 246.932 16.394 -35.66727      30.88734 
1 1 1 -2  21 5  f 682.830 12.628 99.028  3.6518 99.083  6.2759  99.000  4.4902 680.990 21.762 682.201 15.542 -1.211182      26.74197 
1 1 1 -2  21 6  o 216.021 13.580 9.9522  1.2360 12.357  2.4110  9.0950  1.4395 239.161 24.135 206.083 16.636 33.07848       29.31277 
1 1 1 -2  21 7  o 267.286 13.249 15.170  1.4997 11.876  2.6134  16.788  1.8312 233.979 26.862 280.610 15.469 -46.63063      30.99746 
1 1 1 -2  21 8  o 222.253 14.601 10.536  1.3667 9.8828  2.4160  10.844  1.6573 213.201 27.392 225.132 17.521 -11.93077      32.51591 
1 1 1 -2  21 9  o 292.189 16.399 18.194  2.0210 0.0000  0.0000  18.194  2.0210 ?       ?      292.189 16.399 0.000000       16.39874 
1 1 1 -2  21 10 o 587.100 14.039 73.139  3.4905 71.476  6.3406  73.862  4.1811 578.937 25.861 589.735 16.741 -10.79877      30.80717 
1 1 1 -2  21 11 o 325.396 15.393 22.469  2.1212 19.807  4.0373  23.485  2.4931 302.777 31.970 332.072 17.793 -29.29544      36.58768 
1 1 1 -2  21 12 o 196.537 16.399 8.2541  1.3525 6.3396  2.0685  9.6837  1.7875 169.961 29.827 212.555 20.096 -42.59486      35.96530 
1 1 1 -2  21 13 o 738.312 14.744 115.626 4.6100 117.615 7.7116  114.519 5.7506 743.492 24.492 734.403 18.490 9.089355       30.68772 
1 1 1 -2  21 14 o 891.047 15.798 168.468 5.9615 175.303 10.106  164.821 7.3828 907.275 26.303 880.827 19.792 26.44843       32.91756 
1 1 1 -2  21 15 o 384.026 14.989 31.290  2.4376 33.882  4.0447  29.812  3.0547 398.259 24.095 374.100 19.348 24.15912       30.90159 
1 1 1 -2  21 16 o 370.618 18.985 29.265  2.9698 26.802  4.0357  32.174  4.3860 353.459 27.169 387.502 26.894 -34.04254      38.22858 
1 1 1 -2  21 17 o 184.145 25.573 7.3673  1.9404 8.8868  2.3074  3.6969  3.5862 202.182 27.675 138.713 48.979 63.46857       56.25662 
1 1 1 -2  21 18 o 517.471 16.376 56.883  3.5886 61.168  5.8320  54.271  4.5526 535.351 25.724 504.897 21.292 30.45432       33.39246 
1 1 1 -2  21 19 f 246.577 21.714 13.049  2.2443 12.805  3.0805  13.325  3.2763 242.628 30.665 247.280 32.039 -4.652206      44.34957 
1 1 1 -2  21 20 o 470.802 20.155 47.194  4.0185 47.954  5.4393  46.280  5.9629 472.739 27.285 463.607 30.543 9.132294       40.95514 
1 1 1 -2  21 21 o 227.547 31.772 11.347  2.9782 11.347  2.9782  0.0000  0.0000 227.547 31.772 ?       ?      0.000000       31.77205 
1 1 1 -2  21 22 o 467.364 28.015 47.147  5.5192 47.147  5.5192  0.0000  0.0000 467.364 28.015 ?       ?      0.000000       28.01488 
1 1 1 -2  21 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  21 24 o 405.230 21.561 35.323  3.6868 38.795  4.9508  31.001  5.5240 422.585 27.820 374.638 35.231 47.94678       44.89100 
1 1 1 -2  21 25 o 273.620 23.124 16.239  2.6544 15.693  3.5797  16.906  3.9562 265.925 32.460 275.271 34.708 -9.345947      47.52201 
1 1 1 -2  21 26 o 302.502 22.186 19.869  2.8224 18.478  3.6628  21.902  4.4280 288.523 30.437 312.671 33.988 -24.14700      45.62437 
1 1 1 -2  21 27 o 313.349 22.243 21.375  2.9324 24.432  3.8846  17.325  4.4712 332.617 27.833 273.840 39.714 58.77731       48.49665 
1 1 1 -2  21 28 o 384.943 22.146 32.313  3.5950 34.242  4.7570  29.743  5.4896 392.433 28.825 360.517 36.457 31.91589       46.47588 
1 1 1 -2  21 29 o 180.674 26.368 7.3488  1.9581 5.5180  2.4715  10.435  3.2091 151.596 38.441 210.388 37.387 -58.79176      53.62400 
1 1 1 -2  21 30 o 383.105 30.098 33.103  4.8439 33.103  4.8439  0.0000  0.0000 383.105 30.098 ?       ?      0.000000       30.09816 
1 1 1 -2  22 1  o 221.994 11.989 10.494  1.1229 9.8402  1.5637  11.191  1.6135 214.256 17.384 228.665 16.779 -14.40898      24.16080 
1 1 1 -2  22 2  f 201.937 12.489 8.6934  1.0628 10.067  1.6003  7.6095  1.4216 216.696 17.590 188.131 18.066 28.56537       25.21488 
1 1 1 -2  22 3  o 512.753 10.369 55.785  2.2516 54.704  3.1994  56.845  3.1694 507.213 14.895 517.105 14.473 -9.892426      20.76834 
1 1 1 -2  22 4  o 549.376 10.711 64.041  2.4920 62.506  3.5045  65.611  3.5443 542.169 15.263 555.506 15.066 -13.33685      21.44633 
1 1 1 -2  22 5  o 272.167 13.094 15.731  1.5092 15.648  2.6972  15.769  1.8210 269.506 23.879 271.848 15.887 -2.341705      28.68089 
1 1 1 -2  22 6  o 399.125 12.347 33.813  2.0869 36.751  3.8068  32.551  2.4953 414.492 21.763 391.373 15.055 23.11938       26.46293 
1 1 1 -2  22 7  o 468.664 12.529 46.613  2.4866 45.254  4.4241  47.241  3.0065 460.610 22.680 471.574 15.054 -10.96390      27.22179 
1 1 1 -2  22 8  f 390.985 11.157 32.420  1.8473 32.339  2.5513  32.510  2.6783 390.215 15.439 391.188 16.167 -0.9732666     22.35458 
1 1 1 -2  22 9  o 538.152 11.281 61.409  2.5709 58.731  3.6042  64.183  3.6682 525.898 16.183 549.807 15.754 -23.90936      22.58509 
1 1 1 -2  22 10 o 1043.44 15.257 231.057 6.7420 216.016 11.243  239.503 8.4249 1006.66 26.372 1061.73 18.737 -55.07037      32.35091 
1 1 1 -2  22 11 o 735.857 12.452 114.812 3.8803 113.076 5.4606  116.582 5.5149 729.776 17.669 741.013 17.574 -11.23645      24.92054 
1 1 1 -2  22 12 f 217.964 15.513 10.130  1.4225 10.005  2.1076  10.235  1.9279 215.622 23.460 218.452 21.102 -2.830246      31.55438 
1 1 1 -2  22 13 o 736.852 14.793 115.177 4.6162 104.628 7.5894  121.372 5.8156 701.028 25.564 756.058 18.163 -55.03003      31.35960 
1 1 1 -2  22 14 o 531.927 14.567 60.025  3.2815 61.541  5.3967  59.135  4.1334 537.779 23.696 527.669 18.497 10.11047       30.06091 
1 1 1 -2  22 15 o 794.508 19.337 134.141 6.5063 133.286 8.8711  135.137 9.5713 790.736 26.491 795.810 28.400 -5.074158      38.83732 
1 1 1 -2  22 16 f 365.638 15.567 28.381  2.4105 29.021  3.9501  28.001  3.0427 368.081 25.498 362.347 19.905 5.734039       32.34716 
1 1 1 -2  22 17 o 410.336 16.121 35.761  2.8013 36.407  4.5523  35.366  3.5539 412.196 26.215 407.155 20.679 5.041870       33.38903 
1 1 1 -2  22 18 o 442.428 16.507 41.589  3.0928 36.898  4.8838  44.730  3.9962 414.497 27.986 458.399 20.586 -43.90173      34.74166 
1 1 1 -2  22 19 o 384.085 17.031 31.355  2.7701 29.695  4.3102  32.524  3.6158 371.646 27.582 390.080 21.977 -18.43448      35.26757 
1 1 1 -2  22 20 o 328.741 20.988 23.122  2.9067 26.083  3.9240  19.522  4.3267 348.151 26.821 299.099 34.810 49.05203       43.94415 
1 1 1 -2  22 21 o 183.710 35.214 7.5352  2.6399 7.5352  2.6399  0.0000  0.0000 183.710 35.214 ?       ?      0.000000       35.21410 
1 1 1 -2  22 22 o 589.362 31.280 75.340  7.7792 0.0000  0.0000  75.340  7.7792 ?       ?      589.362 31.280 0.000000       31.27983 
1 1 1 -2  22 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  22 24 o 299.657 21.971 19.386  2.7687 19.967  3.7285  18.671  4.1338 301.849 29.546 290.097 34.313 11.75201       45.28082 
1 1 1 -2  22 25 o 317.237 22.203 21.782  2.9641 23.921  3.9290  18.956  4.5158 330.327 28.361 289.960 37.664 40.36707       47.14812 
1 1 1 -2  22 26 o 209.380 24.515 9.6485  2.1326 8.2036  2.8514  11.482  3.2126 188.379 37.063 224.666 34.898 -36.28687      50.90712 
1 1 1 -2  22 27 o 154.323 27.902 5.3786  1.7564 5.3854  2.3101  5.3693  2.7040 151.781 36.407 150.471 41.218 1.310165       54.99496 
1 1 1 -2  22 28 f 211.382 24.197 9.8982  2.1271 10.481  2.7158  8.9741  3.4211 214.819 30.728 192.571 43.033 22.24776       52.87783 
1 1 1 -2  22 29 o 119.658 30.333 3.3351  1.5392 3.0655  1.9390  3.7943  2.5308 114.991 35.898 126.956 41.179 -11.96546      54.62901 
1 1 1 -2  23 1  o 133.213 16.244 3.8300  0.8974 4.0617  1.2900  3.6127  1.2492 136.012 23.229 127.968 23.931 8.044113       33.35131 
1 1 1 -2  23 2  o 358.520 10.675 27.271  1.6209 27.104  2.3289  27.427  2.2573 357.049 15.402 359.217 14.838 -2.167816      21.38676 
1 1 1 -2  23 3  o 393.625 10.701 32.871  1.7838 31.345  2.5193  34.406  2.5261 383.971 15.493 402.355 14.825 -18.38449      21.44352 
1 1 1 -2  23 4  o 63.947  24.967 0.5296  0.9778 1.3231  1.1669  -1.3406 1.7915 81.913  27.996 63.162  29.070 18.75039       40.35866 
1 1 1 -2  23 5  o 251.046 11.508 13.372  1.2234 14.308  1.6971  12.359  1.7653 259.006 15.544 240.415 17.458 18.59134       23.37512 
1 1 1 -2  23 6  o 533.854 10.793 60.445  2.4402 60.159  3.4742  60.723  3.4282 532.144 15.416 534.666 15.140 -2.522461      21.60768 
1 1 1 -2  23 7  o 623.125 11.115 82.344  2.9331 84.217  4.1481  80.472  4.1480 629.705 15.555 615.502 15.913 14.20331       22.25283 
1 1 1 -2  23 8  o 400.731 11.136 34.050  1.8898 34.454  2.6338  33.621  2.7131 402.846 15.438 397.901 16.101 4.945007       22.30652 
1 1 1 -2  23 9  o 815.441 12.226 141.007 4.2222 138.540 5.9238  143.554 6.0195 807.677 17.319 822.166 17.289 -14.48901      24.47113 
1 1 1 -2  23 10 f 571.154 13.909 69.195  3.3644 66.477  4.0503  75.245  6.0424 559.575 17.092 594.581 23.997 -35.00610      29.46149 
1 1 1 -2  23 11 o 583.430 12.115 72.166  2.9934 72.824  4.2090  71.492  4.2579 585.735 16.968 580.325 17.325 5.409607       24.25048 
1 1 1 -2  23 12 o 107.173 24.328 2.5413  1.0789 2.5767  1.6048  2.5121  1.4574 109.108 32.386 107.214 30.594 1.894684       44.55150 
1 1 1 -2  23 13 o 244.286 18.089 12.741  1.8580 12.975  2.4438  12.420  2.8603 245.807 23.773 239.648 28.758 6.159332       37.31180 
1 1 1 -2  23 14 o 563.473 17.643 67.426  4.2100 67.382  5.6543  67.480  6.3068 562.630 23.731 562.677 26.467 -0.4693604E-01 35.54780 
1 1 1 -2  23 15 o 782.091 15.560 129.841 5.1537 126.837 8.5834  131.534 6.4447 771.217 26.281 786.640 19.346 -15.42297      32.63321 
1 1 1 -2  23 16 o 337.243 16.062 24.153  2.2939 22.396  3.6749  25.274  2.9362 322.761 27.138 344.102 20.238 -21.34103      33.85329 
1 1 1 -2  23 17 o 697.411 15.965 103.312 4.7152 109.654 7.7851  99.637  5.9258 716.733 25.649 684.211 20.451 32.52283       32.80379 
1 1 1 -2  23 18 o 226.802 18.938 11.018  1.8023 15.611  2.8105  7.8095  2.3488 269.320 24.924 188.616 30.442 80.70451       39.34394 
1 1 1 -2  23 19 o 256.234 18.789 14.044  2.0246 14.743  3.0937  13.520  2.6776 260.926 28.459 250.282 25.624 10.64339       38.29455 
1 1 1 -2  23 20 o 145.394 34.381 4.7392  2.0837 3.9668  2.4165  6.9777  4.1139 134.107 39.727 176.005 51.752 -41.89862      65.24186 
1 1 1 -2  23 21 o 171.776 26.108 6.4700  1.8394 4.9725  2.5059  8.2194  2.7085 148.347 39.272 192.018 34.580 -43.67085      52.32638 
1 1 1 -2  23 22 o 90.416  35.667 1.0560  2.0133 0.0000  0.0000  1.0560  2.0133 ?       ?      90.416  35.667 0.000000       35.66732 
1 1 1 -2  23 23 o 1064.47 31.460 246.579 14.182 246.579 14.182  0.0000  0.0000 1064.47 31.460 ?       ?      0.000000       31.45959 
1 1 1 -2  23 24 o 253.113 23.315 13.910  2.4710 12.982  3.2728  15.140  3.7686 241.526 32.849 260.305 35.080 -18.77895      48.05903 
1 1 1 -2  23 25 o 166.910 27.056 6.2080  1.8470 6.0821  2.4705  6.3675  2.7810 162.294 36.794 165.199 40.145 -2.905670      54.45596 
1 1 1 -2  23 26 o 118.680 31.880 3.2329  1.6364 3.6375  2.3078  2.8238  2.3207 126.069 39.132 114.762 39.472 11.30655       55.58137 
1 1 1 -2  23 27 o 91.587  32.368 1.6865  1.5665 1.9926  2.1580  1.3455  2.2775 102.097 37.727 95.753  37.883 6.344521       53.46490 
1 1 1 -2  23 28 o 183.175 26.031 7.5323  1.9625 7.4731  2.4958  7.6281  3.1765 178.998 34.170 176.757 42.875 2.240875       54.82585 
1 1 1 -2  23 29 o 160.133 34.548 6.0568  2.2741 6.0568  2.2741  0.0000  0.0000 160.133 34.548 ?       ?      0.000000       34.54792 
1 1 1 -2  24 1  f 376.454 11.019 30.064  1.7568 28.527  2.4799  31.611  2.4889 366.333 15.985 385.694 15.238 -19.36121      22.08455 
1 1 1 -2  24 2  o 739.974 11.370 116.171 3.5632 122.260 5.0622  110.192 5.0162 758.434 15.761 719.910 16.453 38.52411       22.78414 
1 1 1 -2  24 3  o 430.374 10.851 39.288  1.9776 37.551  2.7894  41.043  2.8042 420.357 15.669 439.532 15.065 -19.17490      21.73666 
1 1 1 -2  24 4  o 484.656 12.553 49.847  2.5765 49.283  3.1364  51.017  4.5180 481.642 15.377 489.224 21.807 -7.581909      26.68318 
1 1 1 -2  24 5  o 622.360 10.894 82.143  2.8712 78.218  4.0477  86.119  4.0736 606.793 15.751 636.788 15.106 -29.99475      21.82390 
1 1 1 -2  24 6  o 339.936 11.008 24.504  1.5848 26.008  2.2931  23.129  2.1927 349.963 15.472 330.010 15.690 19.95306       22.03519 
1 1 1 -2  24 7  o 398.728 11.072 33.710  1.8695 35.471  2.6997  32.087  2.5914 408.741 15.597 388.746 15.741 19.99564       22.15928 
1 1 1 -2  24 8  o 303.939 11.943 19.589  1.5372 19.226  2.1522  19.966  2.1964 300.418 16.986 306.163 17.007 -5.744568      24.03683 
1 1 1 -2  24 9  o 298.221 11.788 18.856  1.4888 19.944  2.1216  17.800  2.0897 306.088 16.427 289.039 17.149 17.04926       23.74752 
1 1 1 -2  24 10 o 502.156 13.752 53.481  2.9245 49.195  3.5172  63.083  5.2643 481.388 17.253 544.593 22.826 -63.20551      28.61263 
1 1 1 -2  24 11 o 476.911 11.987 48.219  2.4210 49.779  3.4165  46.645  3.4312 484.293 16.658 468.755 17.285 15.53845       24.00549 
1 1 1 -2  24 12 o 636.338 14.590 85.900  3.9318 84.788  4.7366  88.365  7.0508 631.929 17.699 644.126 25.848 -12.19641      31.32681 
1 1 1 -2  24 13 o 142.115 22.492 4.4008  1.3086 3.1512  1.6762  6.3510  2.0940 119.443 32.342 169.991 30.194 -50.54742      44.24626 
1 1 1 -2  24 14 o 682.025 14.755 98.711  4.2618 87.799  6.9477  105.294 5.3963 641.821 25.561 704.012 18.100 -62.19110      31.32063 
1 1 1 -2  24 15 o 953.910 16.217 193.238 6.5514 185.839 10.899  197.424 8.1977 932.906 27.587 963.438 20.092 -30.53235      34.12790 
1 1 1 -2  24 16 o 1218.53 17.933 315.620 9.2538 313.293 15.631  316.875 11.482 1209.61 30.514 1219.69 22.230 -10.07605      37.75295 
1 1 1 -2  24 17 f 716.440 15.892 109.040 4.8218 118.613 8.0091  103.598 6.0389 745.356 25.373 697.592 20.441 47.76422       32.58315 
1 1 1 -2  24 18 o 554.808 16.163 65.407  3.7975 66.444  6.1725  64.775  4.8170 557.617 26.139 551.515 20.624 6.101318       33.29552 
1 1 1 -2  24 19 o 491.591 20.508 51.488  4.2695 49.300  5.5292  54.719  6.7195 479.129 27.363 503.690 31.662 -24.56064      41.84798 
1 1 1 -2  24 20 o 495.981 16.849 52.351  3.5390 59.430  5.5994  47.643  4.5667 526.840 25.097 472.161 22.839 54.67920       33.93300 
1 1 1 -2  24 21 o 278.273 25.382 16.760  2.9582 0.0000  0.0000  16.760  2.9582 ?       ?      278.273 25.382 0.000000       25.38172 
1 1 1 -2  24 22 o 170.982 25.991 6.4341  1.8227 9.0347  2.5301  3.6282  2.6282 202.029 30.524 129.329 41.965 72.70003       51.89158 
1 1 1 -2  24 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  24 24 o 342.765 21.317 25.358  3.0790 26.258  4.1480  24.255  4.5949 346.254 28.542 330.751 33.255 15.50323       43.82434 
1 1 1 -2  24 25 o 149.636 28.519 5.0539  1.7412 5.3662  2.3538  4.6764  2.5878 151.948 36.938 141.663 40.872 10.28470       55.09046 
1 1 1 -2  24 26 o 92.314  30.432 1.8265  1.3801 0.0000  1.8974  3.8782  2.0111 75.751  32.627 129.222 35.608 -53.47026      48.29601 
1 1 1 -2  24 27 o 413.932 21.810 37.336  3.8097 34.891  5.0364  40.606  5.8246 394.941 30.344 424.452 32.654 -29.51080      44.57637 
1 1 1 -2  24 28 o 115.283 30.768 3.0953  1.5301 2.9115  1.9367  3.4007  2.4960 112.580 35.971 121.611 40.947 -9.031204      54.50328 
1 1 1 -2  24 29 o 322.744 29.404 23.538  3.9748 23.538  3.9748  0.0000  0.0000 322.744 29.404 ?       ?      0.000000       29.40366 
1 1 1 -2  25 1  o 392.601 10.966 32.689  1.8232 33.135  2.5809  32.245  2.5757 394.963 15.430 389.610 15.611 5.353241       21.94993 
1 1 1 -2  25 2  o 463.180 10.704 45.495  2.0995 47.433  3.0076  43.653  2.9323 472.599 15.027 453.356 15.273 19.24390       21.42617 
1 1 1 -2  25 3  o 524.390 10.780 58.313  2.3940 54.041  3.3763  62.632  3.3949 504.388 15.807 543.114 14.760 -38.72675      21.62658 
1 1 1 -2  25 4  o 339.752 16.413 24.522  2.3616 25.332  3.3060  23.679  3.3745 344.049 22.820 332.371 24.139 11.67868       33.21799 
1 1 1 -2  25 5  o 739.233 11.361 115.882 3.5568 112.175 5.0228  119.612 5.0373 726.741 16.320 750.509 15.849 -23.76868      22.74928 
1 1 1 -2  25 6  o 284.311 11.495 17.140  1.3840 16.771  2.0031  17.477  1.9145 280.497 16.942 286.475 15.842 -5.977997      23.19527 
1 1 1 -2  25 7  o 450.173 11.112 42.964  2.1185 42.707  3.0673  43.198  2.9295 448.523 16.148 451.148 15.333 -2.624451      22.26805 
1 1 1 -2  25 8  o 745.166 11.779 117.727 3.7171 113.485 5.1981  122.166 5.3174 731.135 16.788 758.611 16.551 -27.47595      23.57538 
1 1 1 -2  25 9  o 673.294 11.833 96.108  3.3740 92.100  4.7191  100.299 4.8258 658.682 16.917 687.413 16.577 -28.73071      23.68546 
1 1 1 -2  25 10 o 545.111 14.035 63.026  3.2401 63.950  3.9274  61.057  5.7332 548.883 16.896 535.514 25.280 13.36963       30.40663 
1 1 1 -2  25 11 o 462.976 14.254 45.468  2.7947 45.102  3.3607  46.290  5.0320 460.918 17.217 465.517 25.624 -4.599060      30.87055 
1 1 1 -2  25 12 o 306.821 13.372 19.967  1.7375 19.926  2.4754  20.006  2.4394 305.641 19.223 306.293 18.899 -0.6518250     26.95703 
1 1 1 -2  25 13 o 353.667 14.384 26.540  2.1544 23.749  3.3534  28.501  2.8112 333.106 23.931 366.281 18.123 -33.17459      30.01937 
1 1 1 -2  25 14 o 884.418 15.503 166.060 5.8065 150.118 9.5154  175.518 7.3293 838.725 26.789 908.652 19.047 -69.92706      32.87028 
1 1 1 -2  25 15 o 484.686 14.780 49.873  3.0338 47.254  4.8223  51.588  3.9029 470.141 24.303 492.566 18.710 -22.42575      30.67142 
1 1 1 -2  25 16 o 266.008 20.912 15.158  2.3368 13.407  2.9615  18.047  3.8039 248.742 28.636 288.437 31.662 -39.69447      42.69064 
1 1 1 -2  25 17 o 581.829 15.641 71.916  3.8540 76.103  6.3375  69.459  4.8548 597.000 25.067 571.201 20.070 25.79889       32.11126 
1 1 1 -2  25 18 o 354.912 20.266 26.913  3.0334 30.994  3.8718  20.427  4.8812 380.267 24.168 305.116 38.642 75.15076       45.57763 
1 1 1 -2  25 19 o 188.496 21.553 7.6765  1.6896 6.0259  2.5497  8.9687  2.2560 163.682 37.577 202.909 26.918 -39.22701      46.22386 
1 1 1 -2  25 20 o 339.707 23.121 24.806  3.3065 0.0000  0.0000  24.806  3.3065 ?       ?      339.707 23.121 0.000000       23.12144 
1 1 1 -2  25 21 o 419.418 17.491 37.523  3.1068 38.683  4.7631  36.664  4.0987 422.997 26.727 412.722 23.548 10.27530       35.62025 
1 1 1 -2  25 22 o 176.482 23.979 6.8179  1.7457 6.4165  2.5988  7.1479  2.3566 167.697 37.530 178.587 32.350 -10.88957      49.54867 
1 1 1 -2  25 23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -2  25 24 o 151.188 27.866 5.1255  1.7184 5.4241  2.3238  4.7651  2.5527 153.402 36.331 143.489 40.332 9.912781       54.28220 
1 1 1 -2  25 25 o 126.774 29.378 3.6722  1.5464 3.0050  2.0914  4.4768  2.2969 116.059 37.412 138.481 38.012 -22.42226      53.33408 
1 1 1 -2  25 26 o 302.146 22.149 19.917  2.8143 18.668  3.7417  21.545  4.2705 288.379 31.132 308.870 33.168 -20.49051      45.48990 
1 1 1 -2  25 27 o 364.261 21.865 29.003  3.3573 27.842  4.4594  30.523  5.1008 351.928 30.214 366.401 33.234 -14.47293      44.91543 
1 1 1 -2  25 28 o 388.668 28.955 33.998  4.7317 33.998  4.7317  0.0000  0.0000 388.668 28.955 ?       ?      0.000000       28.95470 
1 1 1 -2  26 1  o 718.692 11.435 109.534 3.4805 114.606 4.9360  104.518 4.9083 734.637 15.866 701.476 16.523 33.16034       22.90674 
1 1 1 -2  26 2  f 960.188 12.432 195.564 5.0552 191.479 7.1567  199.631 7.1416 949.235 17.803 969.310 17.398 -20.07483      24.89232 
1 1 1 -2  26 3  o 573.868 11.034 69.827  2.6817 66.791  3.7869  72.881  3.7980 560.840 15.944 585.919 15.306 -25.07910      22.10219 
1 1 1 -2  26 4  o 322.488 17.055 22.151  2.3209 23.677  3.2681  20.598  3.2966 332.623 23.348 309.815 25.347 22.80832       34.46203 
1 1 1 -2  26 5  o 320.299 11.658 21.753  1.5813 24.947  2.2662  18.723  2.2076 342.817 15.610 296.364 17.670 46.45319       23.57718 
1 1 1 -2  26 6  o 594.536 10.988 74.934  2.7666 73.631  3.9384  76.203  3.8873 588.979 15.790 599.218 15.319 -10.23859      21.99950 
1 1 1 -2  26 7  o 471.324 11.089 47.092  2.2134 45.173  3.1612  48.936  3.1002 461.332 16.180 480.227 15.244 -18.89502      22.23024 
1 1 1 -2  26 8  o 520.726 13.022 57.503  2.8715 57.833  3.5051  56.829  5.0077 522.030 15.855 516.852 22.878 5.177307       27.83502 
1 1 1 -2  26 9  o 561.502 13.327 66.864  3.1690 63.248  3.8180  74.873  5.6822 545.882 16.515 593.317 22.614 -47.43518      28.00313 
1 1 1 -2  26 10 o 502.965 16.514 53.697  3.5175 51.457  4.7018  56.544  5.3008 491.840 22.574 515.399 24.286 -23.55865      33.15684 
1 1 1 -2  26 11 o 492.487 13.382 51.443  2.7910 49.511  4.6252  52.550  3.5002 482.401 22.640 497.530 16.612 -15.12946      28.08077 
1 1 1 -2  26 12 o 714.065 14.224 108.184 4.3014 104.784 7.0565  110.194 5.4261 701.497 23.753 720.262 17.789 -18.76447      29.67585 
1 1 1 -2  26 13 o 596.224 14.342 75.439  3.6212 80.913  5.9049  72.139  4.5845 616.464 22.619 582.601 18.581 33.86353       29.27221 
1 1 1 -2  26 14 o 368.336 14.770 28.802  2.3039 26.587  3.5418  30.426  3.0334 352.374 23.875 377.788 19.021 -25.41473      30.52592 
1 1 1 -2  26 15 o 886.057 15.820 166.767 5.9364 154.405 9.7250  174.109 7.4947 850.016 27.016 904.596 19.564 -54.58032      33.35573 
1 1 1 -2  26 16 o 205.913 24.561 9.1759  2.0995 8.7182  2.4215  10.561  4.2135 199.671 29.528 216.130 47.344 -16.45937      55.79772 
1 1 1 -2  26 17 o 473.239 18.640 47.652  3.7357 53.215  5.0309  40.813  5.5775 499.345 23.790 435.196 30.455 64.14941       38.64580 
1 1 1 -2  26 18 o 75.789  27.997 0.9669  1.1882 1.2068  1.7359  0.7554  1.6299 88.487  33.596 80.641  32.003 7.845467       46.39870 
1 1 1 -2  26 19 o 709.539 21.167 107.469 6.3604 0.0000  0.0000  107.469 6.3604 ?       ?      709.539 21.167 0.000000       21.16734 
1 1 1 -2  26 20 o 373.112 17.116 29.669  2.7045 34.662  4.2530  26.280  3.5042 401.028 25.170 349.319 23.830 51.70853       34.66126 
1 1 1 -2  26 21 o 486.573 17.230 50.524  3.5504 53.642  5.5670  48.386  4.6095 498.069 26.488 474.749 22.927 23.31921       35.03240 
1 1 1 -2  26 22 o 190.092 23.866 7.8979  1.8789 7.4440  2.6021  8.3924  2.7158 181.341 35.152 193.030 34.488 -11.68935      49.24518 
1 1 1 -2  26 23 o 717.054 23.156 110.866 7.0316 0.0000  0.0000  110.866 7.0316 ?       ?      717.054 23.156 0.000000       23.15557 
1 1 1 -2  26 24 o 207.441 21.369 9.3779  1.8504 7.8287  2.7478  10.663  2.5029 184.414 36.477 219.402 27.545 -34.98763      45.70862 
1 1 1 -2  26 25 o 296.465 22.583 19.186  2.8140 23.917  3.8212  13.579  4.1596 328.813 27.699 239.974 42.485 88.83919       50.71684 
1 1 1 -2  26 26 o 129.953 30.163 3.8918  1.6280 2.9552  2.2196  4.9822  2.3950 115.332 38.615 145.017 38.394 -29.68476      54.45357 
1 1 1 -2  26 27 o 393.819 21.645 33.941  3.5961 32.418  4.7511  35.985  5.5026 379.409 29.809 397.210 33.011 -17.80164      44.47796 
1 1 1 -2  26 28 o 361.666 28.485 29.457  4.3275 29.457  4.3275  0.0000  0.0000 361.666 28.485 ?       ?      0.000000       28.48484 
1 1 1 -2  27 1  o 267.269 13.836 15.195  1.5607 16.299  1.9534  13.248  2.5950 276.545 16.759 248.102 25.041 28.44324       30.13138 
1 1 1 -2  27 2  o 492.261 12.841 51.396  2.6769 50.304  3.3310  53.388  4.4978 486.765 16.159 500.986 21.200 -14.22104      26.65610 
1 1 1 -2  27 3  o 429.637 12.898 39.151  2.3468 38.064  2.8328  41.527  4.1902 423.459 15.797 441.173 22.502 -17.71436      27.49358 
1 1 1 -2  27 4  o 1010.69 25.618 217.680 10.965 217.680 10.965  0.0000  0.0000 1010.69 25.618 ?       ?      0.000000       25.61849 
1 1 1 -2  27 5  f 349.987 13.057 25.978  1.9352 24.458  2.4555  28.472  3.1439 338.959 17.162 365.411 20.398 -26.45169      26.65687 
1 1 1 -2  27 6  o 361.866 12.959 27.770  1.9859 27.926  2.4881  27.496  3.2962 362.726 16.198 358.918 21.789 3.807983       27.14990 
1 1 1 -2  27 7  o 451.474 13.037 43.226  2.4927 40.465  3.0676  48.592  4.2769 436.615 16.590 478.084 21.124 -41.46948      26.86015 
1 1 1 -2  27 8  o 472.756 11.224 47.378  2.2472 48.139  3.1867  46.625  3.1694 476.277 15.799 468.713 15.967 7.564056       22.46257 
1 1 1 -2  27 9  o 610.528 13.383 79.056  3.4603 78.291  5.7560  79.489  4.3300 606.671 22.404 611.919 16.709 -5.248108      27.94867 
1 1 1 -2  27 10 o 137.350 24.767 4.1395  1.3876 4.3990  1.9292  3.8613  1.9973 140.632 32.966 131.964 35.121 8.668350       48.16864 
1 1 1 -2  27 11 o 832.651 14.535 147.116 5.1253 162.071 8.5319  138.672 6.4109 872.543 23.090 807.837 18.739 64.70624       29.73696 
1 1 1 -2  27 12 o 710.328 12.776 107.028 3.8432 105.989 5.4522  108.053 5.4182 706.231 18.230 713.114 17.941 -6.882874      25.57759 
1 1 1 -2  27 13 o 565.719 14.229 67.927  3.4090 66.036  5.5265  69.089  4.3312 556.660 23.443 570.137 17.938 -13.47729      29.51881 
1 1 1 -2  27 14 o 506.948 14.742 54.567  3.1649 47.081  4.9308  59.812  4.1274 469.057 24.912 530.352 18.377 -61.29434      30.95650 
1 1 1 -2  27 15 o 315.739 19.062 21.288  2.5368 24.780  3.1327  14.636  4.3238 340.315 21.852 257.026 41.109 83.28949       46.55578 
1 1 1 -2  27 16 o 242.578 23.573 12.672  2.3910 10.993  2.8167  17.003  4.5233 224.441 30.418 277.751 39.575 -53.30972      49.91404 
1 1 1 -2  27 17 o 586.420 20.152 73.255  5.0045 0.0000  0.0000  73.255  5.0045 ?       ?      586.420 20.152 0.000000       20.15166 
1 1 1 -2  27 18 o 251.990 24.737 13.711  2.6058 0.0000  0.0000  13.711  2.6058 ?       ?      251.990 24.737 0.000000       24.73704 
1 1 1 -2  27 19 o 699.032 16.429 104.041 4.8635 115.997 7.9462  96.880  6.1501 735.248 25.520 673.203 21.572 62.04492       33.41579 
1 1 1 -2  27 20 o 353.080 17.103 26.588  2.5574 31.840  4.0153  23.003  3.3173 384.108 24.817 326.397 24.171 57.71072       34.64258 
1 1 1 -2  27 21 o 582.085 20.005 72.570  4.9314 69.739  6.6744  75.972  7.3180 567.638 27.765 591.780 29.200 -24.14209      40.29315 
1 1 1 -2  27 22 f 212.782 20.733 9.8078  1.8445 8.5186  2.7341  10.885  2.4988 194.296 34.492 222.594 27.065 -28.29791      43.84249 
1 1 1 -2  27 23 o 313.028 25.556 21.386  3.3583 0.0000  0.0000  21.386  3.3583 ?       ?      313.028 25.556 0.000000       25.55612 
1 1 1 -2  27 24 o 112.715 28.391 2.8961  1.3545 -0.0000 1.9970  5.3636  1.8434 77.727  33.475 153.799 29.373 -76.07262      44.53502 
1 1 1 -2  27 25 o 122.741 28.393 3.4481  1.4465 1.9099  2.0773  4.8960  2.0154 100.171 37.015 145.211 33.461 -45.03944      49.89717 
1 1 1 -2  27 26 o 182.790 26.181 7.4912  1.9688 11.931  2.6920  2.3849  2.8869 230.552 28.157 112.878 43.212 117.6740       51.57598 
1 1 1 -2  27 27 o 328.574 30.696 24.536  4.2218 24.536  4.2218  0.0000  0.0000 328.574 30.696 ?       ?      0.000000       30.69584 
1 1 1 -2  27 28 o 216.599 25.317 10.521  2.2784 8.5329  3.0573  13.004  3.4169 187.398 39.756 235.339 35.379 -47.94069      53.21856 
1 1 1 -2  28 1  o 123.557 27.857 3.3844  1.4228 3.3844  1.4228  0.0000  0.0000 123.557 27.857 ?       ?      0.000000       27.85716 
1 1 1 -2  28 2  o 894.742 14.147 169.834 5.3604 174.488 6.6209  160.978 9.1327 906.506 17.246 869.412 24.804 37.09351       30.21096 
1 1 1 -2  28 3  o 389.099 13.292 32.111  2.1902 30.089  2.6320  36.663  3.9495 376.483 16.508 414.517 22.584 -38.03470      27.97392 
1 1 1 -2  28 4  o 696.762 16.652 103.061 4.9134 99.518  6.8766  106.757 7.0229 683.776 23.747 708.261 23.414 -24.48444      33.34924 
1 1 1 -2  28 5  o 1131.40 13.487 271.501 6.4623 266.953 9.1547  276.018 9.1235 1120.91 19.285 1139.86 18.900 -18.94922      27.00256 
1 1 1 -2  28 6  o 477.137 12.864 48.278  2.5994 37.091  4.3586  54.453  3.2382 416.644 24.815 506.590 15.094 -89.94659      29.04494 
1 1 1 -2  28 7  o 525.479 12.713 58.555  2.8292 53.260  4.7953  61.383  3.5040 500.353 22.630 537.831 15.384 -37.47833      27.36439 
1 1 1 -2  28 8  o 856.547 14.055 155.639 5.0984 166.060 8.6342  150.060 6.3173 883.378 23.080 840.596 17.746 42.78210       29.11349 
1 1 1 -2  28 9  f 624.243 11.867 82.626  3.1371 80.059  4.3757  85.340  4.4999 614.046 16.827 633.982 16.760 -19.93622      23.74967 
1 1 1 -2  28 10 o 250.252 18.481 13.379  1.9447 13.691  2.6556  13.018  2.8559 252.229 25.198 245.421 27.978 6.808014       37.65242 
1 1 1 -2  28 11 o 682.843 12.640 98.904  3.6551 99.872  5.1802  97.943  5.1580 685.586 17.842 678.921 17.940 6.665771       25.30159 
1 1 1 -2  28 12 o 1033.40 15.968 226.805 6.9879 224.467 8.6810  231.109 11.778 1027.19 19.956 1040.35 26.732 -13.16064      33.35963 
1 1 1 -2  28 13 o 370.219 17.570 29.136  2.7547 34.697  3.6970  22.195  4.1303 403.015 21.742 320.411 30.819 82.60373       37.71618 
1 1 1 -2  28 14 o 413.563 18.097 36.376  3.1696 38.148  4.2213  34.085  4.7989 422.203 23.705 398.021 28.662 24.18152       37.19503 
1 1 1 -2  28 15 o 73.759  27.211 0.9167  1.1217 0.6310  1.5859  1.2027  1.5867 78.246  31.395 86.155  32.247 -7.908974      45.00624 
1 1 1 -2  28 16 o 159.167 32.333 5.6371  2.1051 0.0000  0.0000  5.6371  2.1051 ?       ?      159.167 32.333 0.000000       32.33343 
1 1 1 -2  28 17 o 494.739 20.274 52.171  4.2478 0.0000  0.0000  52.171  4.2478 ?       ?      494.739 20.274 0.000000       20.27425 
1 1 1 -2  28 18 o 265.983 17.209 15.127  1.9280 16.641  2.9260  13.965  2.5631 277.568 25.166 254.304 24.087 23.26404       34.83513 
1 1 1 -2  28 19 o 236.039 18.763 11.966  1.8601 10.867  2.8195  12.813  2.4752 222.153 30.798 243.169 24.364 -21.01576      39.26931 
1 1 1 -2  28 20 o 250.523 21.570 13.553  2.2661 15.489  3.0093  11.017  3.4442 266.540 27.034 220.963 38.188 45.57707       46.78827 
1 1 1 -2  28 21 o 297.107 18.053 18.948  2.2607 19.785  3.5149  18.357  2.9524 300.864 27.904 290.859 24.189 10.00485       36.92895 
1 1 1 -2  28 22 o 179.940 28.176 7.1989  2.0766 8.4733  2.4373  3.8235  3.9666 194.791 30.551 138.788 51.175 56.00284       59.60096 
1 1 1 -2  28 23 o 428.726 17.332 39.410  3.1468 33.245  4.9128  43.700  4.0978 387.878 30.145 449.948 21.505 -62.06955      37.02967 
1 1 1 -2  28 24 o 64.789  26.467 0.3820  1.1504 -1.4651 1.6764  2.0260  1.5815 58.720  27.400 97.314  32.595 -38.59395      42.58166 
1 1 1 -2  28 25 o 177.153 32.096 7.2034  2.3192 0.0000  0.0000  7.2034  2.3192 ?       ?      177.153 32.096 0.000000       32.09571 
1 1 1 -2  28 26 o 194.404 30.248 8.6399  2.4093 8.7969  2.8180  8.2134  4.6450 193.552 35.695 177.117 55.606 16.43484       66.07672 
1 1 1 -2  28 27 o 192.201 35.191 8.7315  2.7588 8.7315  2.7588  0.0000  0.0000 192.201 35.191 ?       ?      0.000000       35.19135 
1 1 1 -2  29 1  o 111.001 28.370 2.7285  1.3386 0.3821  2.0531  4.4636  1.7655 84.373  35.002 141.933 30.295 -57.56056      46.29176 
1 1 1 -2  29 2  o 314.092 17.370 21.011  2.3014 20.744  3.5124  21.212  3.0465 310.807 26.952 314.914 23.003 -4.107025      35.43380 
1 1 1 -2  29 3  o 465.001 15.998 45.893  3.1504 44.746  4.6143  46.895  4.3118 457.878 23.879 469.586 21.682 -11.70828      32.25420 
1 1 1 -2  29 4  o 556.890 23.035 65.989  5.4325 0.0000  0.0000  65.989  5.4325 ?       ?      556.890 23.035 0.000000       23.03500 
1 1 1 -2  29 5  f 447.842 16.285 42.573  3.0885 39.352  4.3440  45.867  4.3921 429.284 23.991 464.337 22.336 -35.05322      32.77843 
1 1 1 -2  29 6  o 938.682 17.906 187.141 7.1182 187.141 7.1182  0.0000  0.0000 938.682 17.906 ?       ?      0.000000       17.90649 
1 1 1 -2  29 7  o 461.674 13.321 45.210  2.6044 48.111  3.2529  40.028  4.3469 476.069 16.135 432.955 23.799 43.11395       28.75298 
1 1 1 -2  29 8  o 83.490  28.782 1.3491  1.2343 0.3157  1.5877  2.9276  1.9623 74.502  30.834 116.895 36.051 -42.39310      47.43811 
1 1 1 -2  29 9  o 325.847 14.695 22.533  2.0279 22.077  2.4004  23.670  3.7897 321.888 17.677 331.972 27.195 -10.08383      32.43508 
1 1 1 -2  29 10 o 444.405 22.995 42.176  4.3129 42.176  4.3129  0.0000  0.0000 444.405 22.995 ?       ?      0.000000       22.99519 
1 1 1 -2  29 11 o 472.026 14.798 47.302  2.9581 48.798  3.5909  44.143  5.2179 479.163 17.696 453.775 27.279 25.38855       32.51631 
1 1 1 -2  29 12 o 177.719 23.063 6.8437  1.6948 7.2633  2.1308  6.1211  2.7963 182.139 28.564 165.095 40.339 17.04448       49.42828 
1 1 1 -2  29 13 o 586.396 13.150 72.982  3.2656 77.299  4.6780  68.878  4.5607 602.828 18.324 568.957 18.928 33.87115       26.34501 
1 1 1 -2  29 14 o 491.894 18.440 51.482  3.8413 0.0000  0.0000  51.482  3.8413 ?       ?      491.894 18.440 0.000000       18.43998 
1 1 1 -2  29 15 o 281.114 22.342 16.960  2.6379 0.0000  0.0000  16.960  2.6379 ?       ?      281.114 22.342 0.000000       22.34223 
1 1 1 -2  29 16 o 374.589 21.530 30.025  3.4011 0.0000  0.0000  30.025  3.4011 ?       ?      374.589 21.530 0.000000       21.53046 
1 1 1 -2  29 17 o 359.520 16.948 27.511  2.5804 22.965  3.8361  31.268  3.4871 325.859 28.072 382.062 21.641 -56.20258      35.44559 
1 1 1 -2  29 18 o 150.499 25.474 4.9924  1.5656 5.2199  2.1972  4.7577  2.2315 152.097 34.857 145.042 36.390 7.055023       50.39149 
1 1 1 -2  29 19 o 194.251 23.233 8.2114  1.8733 7.5576  2.4765  9.0859  2.8639 183.768 33.036 201.392 34.841 -17.62398      48.01337 
1 1 1 -2  29 20 o 312.665 17.593 20.956  2.3200 23.860  3.5096  18.702  3.0919 331.656 25.175 293.418 25.125 38.23752       35.56773 
1 1 1 -2  29 21 o 249.274 19.325 13.398  2.0241 14.298  3.1009  12.730  2.6718 254.713 29.279 240.995 26.624 13.71773       39.57424 
1 1 1 -2  29 22 o 252.010 25.105 13.898  2.6437 11.441  3.1613  19.612  4.8212 225.249 34.217 293.364 39.837 -68.11499      52.51438 
1 1 1 -2  29 23 o 77.252  25.764 1.2424  0.9881 -0.1783 1.6600  2.0219  1.2297 69.339  30.190 95.170  28.373 -25.83104      41.42978 
1 1 1 -2  29 24 o 213.344 23.872 10.044  2.1199 9.9813  2.8935  10.117  3.1146 208.561 33.926 208.764 36.562 -0.2026825     49.87705 
1 1 1 -2  29 25 o 203.682 22.341 9.1430  1.8955 8.6429  2.8262  9.5518  2.5554 192.232 36.040 205.004 30.351 -12.77203      47.11801 
1 1 1 -2  29 26 o 132.979 35.842 4.2265  2.0642 3.1986  2.3101  8.2995  4.5984 117.767 39.394 176.659 55.304 -58.89198      67.89967 
1 1 1 -2  29 27 o 114.607 37.805 3.0520  2.1298 0.0000  0.0000  3.0520  2.1298 ?       ?      114.607 37.805 0.000000       37.80544 
1 1 1 -2  30 1  f 115.953 22.648 2.9588  1.0723 3.1495  1.8463  2.8618  1.3171 119.935 34.501 113.597 27.641 6.338387       44.20800 
1 1 1 -2  30 2  o 485.286 12.765 49.944  2.6235 49.120  4.5584  50.352  3.2080 480.491 22.402 487.082 15.552 -6.590820      27.27085 
1 1 1 -2  30 3  o 252.501 14.058 13.568  1.4973 14.333  2.2179  12.927  2.0296 258.858 20.397 245.847 19.658 13.01109       28.32819 
1 1 1 -2  30 4  o 305.867 14.967 19.853  1.9387 21.287  3.4898  19.213  2.3316 314.918 26.411 300.167 18.431 14.75104       32.20629 
1 1 1 -2  30 5  o 564.797 11.564 67.635  2.7658 67.114  3.9666  68.128  3.8586 562.220 16.660 566.502 16.083 -4.282349      23.15664 
1 1 1 -2  30 6  o 615.732 13.602 80.429  3.5468 75.884  4.2835  90.339  6.3256 597.777 16.920 651.445 22.929 -53.66797      28.49619 
1 1 1 -2  30 7  o 383.857 13.793 31.262  2.2422 31.256  2.7940  31.273  3.7578 383.608 17.199 382.524 23.308 1.083435       28.96670 
1 1 1 -2  30 8  o 485.374 13.443 49.983  2.7633 48.754  3.3974  52.386  4.7500 479.108 16.744 496.010 22.613 -16.90158      28.13757 
1 1 1 -2  30 9  o 97.360  26.502 2.0889  1.1220 0.7219  1.5692  3.5187  1.6048 79.221  31.413 125.757 30.457 -46.53529      43.75418 
1 1 1 -2  30 10 o 335.790 18.029 24.039  2.5544 25.118  3.5494  22.879  3.6789 342.281 24.652 326.190 26.871 16.09015       36.46581 
1 1 1 -2  30 11 o 641.984 15.056 87.527  4.0933 80.764  7.6268  90.263  4.8512 614.165 29.323 651.594 17.580 -37.42902      34.18950 
1 1 1 -2  30 12 o 593.075 15.352 74.720  3.8558 70.831  7.5676  76.084  4.4811 573.705 31.266 598.146 17.690 -24.44098      35.92334 
1 1 1 -2  30 13 o 389.382 16.588 32.232  2.7353 24.957  5.7811  34.331  3.1049 336.835 41.399 401.690 18.252 -64.85477      45.24369 
1 1 1 -2  30 14 o 294.258 20.805 18.543  2.5759 0.0000  0.0000  18.543  2.5759 ?       ?      294.258 20.805 0.000000       20.80507 
1 1 1 -2  30 15 o 155.701 24.716 5.3065  1.5753 7.0702  2.5140  4.1664  2.0213 178.169 34.566 136.401 34.861 41.76822       49.09305 
1 1 1 -2  30 16 o 505.282 15.461 54.287  3.3085 47.372  4.9580  59.837  4.4421 469.785 25.011 529.779 19.799 -59.99387      31.89946 
1 1 1 -2  30 17 o 516.630 15.666 56.804  3.4275 53.194  5.2092  59.559  4.5515 498.080 24.696 528.093 20.352 -30.01276      32.00118 
1 1 1 -2  30 18 o 185.894 23.001 7.5209  1.7721 6.5240  2.3148  8.9322  2.7543 170.480 33.257 200.086 33.703 -29.60573      47.34903 
1 1 1 -2  30 19 f 181.931 21.857 7.2021  1.6503 5.2924  2.3237  9.1455  2.3441 152.291 36.505 203.801 27.892 -51.50974      45.94112 
1 1 1 -2  30 20 o 636.498 16.218 86.517  4.3716 80.026  7.0131  90.642  5.5906 607.477 27.261 649.933 20.312 -42.45660      33.99574 
1 1 1 -2  30 21 o 225.332 19.701 10.982  1.8610 10.779  2.8042  11.141  2.4879 219.922 30.967 225.066 26.618 -5.144165      40.83455 
1 1 1 -2  30 22 o 243.610 24.805 13.020  2.5233 11.863  3.0523  15.517  4.4847 229.683 32.270 258.259 42.483 -28.57532      53.34930 
1 1 1 -2  30 23 o 283.468 18.669 17.394  2.2286 16.993  3.4050  17.694  2.9476 275.702 29.628 283.592 24.792 -7.889587      38.63241 
1 1 1 -2  30 24 o 104.749 29.273 2.5102  1.3489 1.4987  1.9906  3.3691  1.8342 93.617  35.872 120.411 34.308 -26.79420      49.63680 
1 1 1 -2  30 25 o 132.204 33.950 4.1250  1.9106 4.4589  2.1342  2.7771  4.2883 136.834 36.251 126.769 51.357 10.06556       62.86224 
1 1 1 -2  30 26 o 162.360 25.935 5.9873  1.7232 7.8412  2.4744  4.2415  2.4013 182.757 33.193 132.149 39.705 50.60860       51.75255 
1 1 1 -2  30 27 o 373.007 26.242 31.176  4.1189 0.0000  0.0000  31.176  4.1189 ?       ?      373.007 26.242 0.000000       26.24199 
1 1 1 -2  31 1  o 974.497 12.841 201.419 5.2994 206.066 7.5051  196.798 7.4841 984.883 17.994 962.414 18.362 22.46851       25.70924 
1 1 1 -2  31 2  o 379.763 13.176 30.592  2.1191 27.607  3.5474  32.248  2.6423 359.321 23.441 389.743 16.009 -30.42212      28.38594 
1 1 1 -2  31 3  o 560.582 16.419 66.726  3.8978 65.405  5.6824  67.900  5.3566 554.103 24.216 564.820 22.394 -10.71619      32.98354 
1 1 1 -2  31 4  o 485.284 13.549 49.962  2.7844 55.396  4.9850  47.498  3.3568 510.060 23.078 472.926 16.761 37.13477       28.52240 
1 1 1 -2  31 5  o 964.660 14.764 197.502 6.0315 188.964 10.558  201.638 7.3486 941.156 26.490 974.193 17.812 -33.03723      31.92195 
1 1 1 -2  31 6  o 266.381 15.989 15.121  1.7953 12.504  3.6508  15.956  2.0619 238.448 37.382 273.446 17.904 -34.99873      41.44886 
1 1 1 -2  31 7  o 474.815 13.676 47.840  2.7500 48.439  5.3640  47.626  3.2029 475.612 26.740 473.569 15.970 2.043152       31.14579 
1 1 1 -2  31 8  o 426.942 13.957 38.687  2.5236 37.870  4.5760  39.045  3.0252 420.442 25.825 428.696 16.663 -8.254486      30.73465 
1 1 1 -2  31 9  o 228.784 16.852 11.183  1.6213 15.866  3.1995  9.5648  1.8806 270.934 28.303 210.865 21.354 60.06955       35.45488 
1 1 1 -2  31 10 o 193.902 25.830 8.1699  2.0683 0.0000  0.0000  8.1699  2.0683 ?       ?      193.902 25.830 0.000000       25.83015 
1 1 1 -2  31 11 o 1039.40 16.549 229.639 7.2846 210.014 13.238  238.162 8.7242 988.985 31.607 1057.73 19.476 -68.74573      37.12600 
1 1 1 -2  31 12 o 284.106 15.305 17.199  1.8346 17.614  2.5902  16.783  2.5989 286.652 21.493 279.668 22.124 6.983948       30.84533 
1 1 1 -2  31 13 o 229.584 17.113 11.272  1.6519 12.160  2.4473  10.528  2.2388 237.299 24.716 220.686 24.362 16.61360       34.70370 
1 1 1 -2  31 14 o 371.286 15.011 29.294  2.3603 28.841  3.7813  29.583  3.0211 366.530 24.502 372.203 19.232 -5.672455      31.14830 
1 1 1 -2  31 15 o 594.891 14.883 75.222  3.7495 77.939  5.9995  73.480  4.8031 603.839 23.461 587.202 19.315 16.63763       30.38889 
1 1 1 -2  31 16 o 411.127 17.982 36.022  3.1308 33.378  4.1776  39.409  4.7287 393.765 25.184 427.705 26.233 -33.93967      36.36518 
1 1 1 -2  31 17 o 296.471 18.764 18.840  2.3438 16.018  3.1047  22.579  3.5737 271.330 27.395 322.872 26.367 -51.54153      38.02214 
1 1 1 -2  31 18 f 224.136 19.455 10.827  1.8283 8.6515  2.5582  13.099  2.6140 197.133 31.718 245.258 25.542 -48.12511      40.72414 
1 1 1 -2  31 19 o 111.629 27.159 2.8051  1.2717 3.3355  1.8045  2.2818  1.7925 121.477 33.827 104.150 34.698 17.32666       48.45851 
1 1 1 -2  31 20 o 487.703 16.018 50.818  3.3084 52.287  5.1485  49.784  4.3178 491.054 24.838 481.111 21.192 9.942749       32.65027 
1 1 1 -2  31 21 o 192.315 20.570 8.0498  1.6493 8.9888  2.4139  7.2277  2.2587 200.743 29.255 179.091 30.897 21.65210       42.54958 
1 1 1 -2  31 22 f 151.707 48.257 5.4695  3.4885 0.0000  0.0000  5.4695  3.4885 ?       ?      151.707 48.257 0.000000       48.25703 
1 1 1 -2  31 23 o 189.040 22.715 7.8860  1.7821 8.7370  2.7429  7.2644  2.3443 194.357 34.592 177.774 32.329 16.58324       47.34748 
1 1 1 -2  31 24 o 113.407 34.948 2.9590  1.8445 3.3452  2.1804  1.9870  3.4590 120.259 38.140 114.153 46.167 6.106621       59.88354 
1 1 1 -2  31 25 o 133.576 27.010 4.1011  1.4754 0.3929  2.1048  7.6837  2.0688 82.116  34.838 183.893 27.401 -101.7770      44.32269 
1 1 1 -2  31 26 o 76.748  32.848 0.2230  1.9010 0.0000  0.0000  0.2230  1.9010 ?       ?      76.748  32.848 0.000000       32.84811 
1 1 1 -2  32 1  o 220.220 14.063 10.333  1.3047 10.345  1.8921  10.322  1.8014 219.569 20.588 219.463 19.588 0.1053162      28.41794 
1 1 1 -2  32 2  o 303.006 13.067 19.478  1.6767 16.263  2.4039  22.524  2.3400 275.708 20.740 325.183 17.051 -49.47446      26.84935 
1 1 1 -2  32 3  o 342.557 14.734 24.908  2.1375 24.256  2.7453  25.912  3.4062 337.205 19.304 348.000 23.247 -10.79471      30.21691 
1 1 1 -2  32 4  o 552.023 11.633 64.625  2.7195 67.469  3.9580  62.082  3.7429 563.589 16.583 540.645 16.347 22.94434       23.28617 
1 1 1 -2  32 5  o 189.135 17.498 7.6661  1.3857 8.0821  2.1668  7.3782  1.8024 192.663 27.322 184.594 23.596 8.069824       36.10094 
1 1 1 -2  32 6  o 587.618 11.917 73.241  2.9655 76.094  4.2366  70.500  4.1524 598.454 16.716 576.001 17.023 22.45319       23.85819 
1 1 1 -2  32 7  o 469.962 12.043 46.853  2.3969 46.697  3.4956  46.992  3.2930 468.689 17.611 470.276 16.535 -1.587433      24.15680 
1 1 1 -2  32 8  o 125.852 22.143 3.4735  1.1370 1.8497  1.6226  5.0403  1.5938 96.670  33.012 151.568 25.752 -54.89838      41.86856 
1 1 1 -2  32 9  o 655.449 12.207 91.156  3.3884 90.031  4.8317  92.246  4.7532 650.678 17.534 658.710 17.039 -8.032288      24.44968 
1 1 1 -2  32 10 o 344.790 15.856 25.264  2.3152 21.526  3.7438  27.578  2.9460 315.801 28.293 359.394 19.428 -43.59277      34.32169 
1 1 1 -2  32 11 o 137.722 26.334 4.1905  1.4799 1.7157  2.2605  6.0468  1.9578 102.477 38.464 165.618 28.968 -63.14169      48.15245 
1 1 1 -2  32 12 o 289.966 15.600 17.922  1.9087 16.176  2.6704  19.745  2.7290 274.301 23.206 303.562 21.365 -29.26068      31.54300 
1 1 1 -2  32 13 o 527.313 13.365 59.046  2.9846 58.663  4.3230  59.395  4.1257 524.764 19.452 528.187 18.444 -3.422852      26.80659 
1 1 1 -2  32 14 o 226.661 18.018 11.007  1.7153 10.491  2.6649  11.372  2.2412 219.082 29.471 229.512 23.386 -10.42963      37.62221 
1 1 1 -2  32 15 o 641.795 18.047 87.777  4.9051 86.854  6.5159  88.984  7.4516 636.808 24.161 643.544 27.342 -6.735596      36.48771 
1 1 1 -2  32 16 o 178.847 34.851 7.1844  2.5447 7.1844  2.5447  0.0000  0.0000 178.847 34.851 ?       ?      0.000000       34.85104 
1 1 1 -2  32 17 o 513.759 16.080 56.280  3.4986 45.586  5.2175  65.017  4.7160 458.757 26.974 551.093 20.207 -92.33591      33.70395 
1 1 1 -2  32 18 f 388.123 15.467 32.133  2.5423 30.043  3.9837  33.569  3.3021 372.158 25.429 395.798 19.700 -23.64032      32.16704 
1 1 1 -2  32 19 o 168.663 20.872 6.2025  1.4590 6.8232  2.1712  5.6913  1.9702 174.423 30.504 159.000 30.367 15.42256       43.04242 
1 1 1 -2  32 20 o 283.377 17.169 17.256  2.0506 14.906  3.1049  19.075  2.7311 259.831 28.696 296.665 21.893 -36.83374      36.09342 
1 1 1 -2  32 21 o 368.001 16.527 29.031  2.5756 23.541  3.9562  33.070  3.3932 326.148 28.944 390.945 20.567 -64.79660      35.50698 
1 1 1 -2  32 22 o 198.238 29.587 8.8772  2.4079 0.0000  0.0000  8.8772  2.4079 ?       ?      198.238 29.587 0.000000       29.58709 
1 1 1 -2  32 23 o 149.804 31.096 5.1843  1.9082 5.3606  2.2067  4.6616  3.7993 150.950 35.172 141.889 50.379 9.060135       61.44237 
1 1 1 -2  32 24 o 185.783 23.345 7.6816  1.7962 10.108  2.7138  5.7901  2.3961 209.702 31.535 155.564 36.924 54.13722       48.55773 
1 1 1 -2  32 25 f 133.018 35.573 4.2620  2.0428 0.0000  0.0000  4.2620  2.0428 ?       ?      133.018 35.573 0.000000       35.57260 
1 1 1 -2  32 26 o 149.167 29.957 5.2039  1.8267 5.7592  2.4005  4.4401  2.8154 153.672 37.269 134.042 43.428 19.63036       57.22736 
1 1 1 -2  33 1  o 161.525 17.648 5.6109  1.1875 4.8533  1.7487  6.2593  1.6178 148.156 28.908 169.851 23.090 -21.69495      36.99812 
1 1 1 -2  33 2  o 430.668 12.130 39.344  2.2122 36.720  3.1574  41.875  3.1005 415.610 17.939 443.963 16.491 -28.35379      24.36722 
1 1 1 -2  33 3  o 320.530 23.741 22.025  3.1997 0.0000  0.0000  22.025  3.1997 ?       ?      320.530 23.741 0.000000       23.74091 
1 1 1 -2  33 4  o 250.281 14.309 13.341  1.5104 14.780  2.4310  12.437  1.9276 262.478 22.075 241.058 19.037 21.42024       29.14962 
1 1 1 -2  33 5  o 264.532 17.067 14.935  1.9018 21.448  3.8014  12.760  2.1964 315.298 28.787 243.822 21.491 71.47586       35.92405 
1 1 1 -2  33 6  o 436.308 12.643 40.396  2.3361 37.103  3.4424  43.207  3.1805 417.532 19.468 450.876 16.657 -33.34445      25.62169 
1 1 1 -2  33 7  o 376.140 12.523 30.023  1.9947 29.273  2.9482  30.657  2.7089 370.425 18.856 379.754 16.844 -9.328247      25.28417 
1 1 1 -2  33 8  o 320.034 12.887 21.739  1.7466 21.128  2.5338  22.292  2.4110 314.483 19.116 323.264 17.679 -8.781403      26.03765 
1 1 1 -2  33 9  o 538.165 12.091 61.460  2.7557 61.189  3.9510  61.718  3.8455 536.348 17.395 538.737 16.855 -2.388794      24.22143 
1 1 1 -2  33 10 o 807.555 14.696 138.550 5.0260 133.546 8.2595  141.492 6.3335 790.448 24.674 815.328 18.343 -24.87939      30.74523 
1 1 1 -2  33 11 o 387.614 15.987 31.942  2.6244 29.975  3.3192  35.224  4.2863 374.359 21.021 405.088 25.110 -30.72858      32.74743 
1 1 1 -2  33 12 f 244.825 17.091 12.814  1.7609 9.2541  2.4846  16.406  2.4959 205.625 29.366 276.496 21.484 -70.87085      36.38595 
1 1 1 -2  33 13 o 321.954 17.640 22.133  2.3959 19.840  3.0136  26.070  3.9499 303.738 23.614 347.663 27.041 -43.92432      35.90044 
1 1 1 -2  33 14 o 244.917 21.871 12.919  2.2446 11.602  3.0415  14.495  3.3264 229.674 32.152 257.442 31.144 -27.76854      44.76244 
1 1 1 -2  33 15 o 174.943 20.720 6.6325  1.5053 6.5299  2.4672  6.6933  1.8998 170.235 35.378 174.511 26.543 -4.276550      44.22801 
1 1 1 -2  33 16 o 122.000 30.277 3.3528  1.5569 2.1496  2.4328  4.1874  2.0261 108.882 40.089 135.895 34.995 -27.01335      53.21421 
1 1 1 -2  33 17 o 479.022 15.053 48.922  3.0537 47.847  4.8505  49.627  3.9304 470.517 24.426 481.411 19.279 -10.89453      31.11787 
1 1 1 -2  33 18 o 232.461 17.690 11.629  1.7284 11.226  2.5504  11.971  2.3504 225.926 27.203 234.325 24.025 -8.399323      36.29358 
1 1 1 -2  33 19 o 109.769 28.128 2.7251  1.3135 1.5421  1.8500  3.9277  1.8653 93.540  34.858 131.012 33.491 -37.47241      48.33966 
1 1 1 -2  33 20 o 214.008 18.691 9.9143  1.6770 8.1177  2.5444  11.294  2.2299 189.060 32.979 227.145 23.522 -38.08469      40.50803 
1 1 1 -2  33 21 o 231.665 19.119 11.653  1.8590 13.437  2.7519  10.156  2.5212 246.063 26.844 212.842 28.703 33.22131       39.29959 
1 1 1 -2  33 22 o 248.767 39.474 14.548  4.0197 0.0000  0.0000  14.548  4.0197 ?       ?      248.767 39.474 0.000000       39.47360 
1 1 1 -2  33 23 o 339.161 17.730 24.910  2.5378 25.331  3.8390  24.583  3.3822 337.111 27.120 333.825 24.086 3.286285       36.27198 
1 1 1 -2  33 24 o 155.340 34.886 5.7580  2.2389 0.0000  0.0000  5.7580  2.2389 ?       ?      155.340 34.886 0.000000       34.88624 
1 1 1 -2  33 25 o 285.029 22.123 17.993  2.6495 17.451  3.4777  18.741  4.0904 275.526 30.306 282.063 34.995 -6.537354      46.29343 
1 1 1 -2  34 1  o 140.583 19.852 4.2891  1.1490 3.8636  1.7242  4.6291  1.5411 131.607 31.379 145.040 26.047 -13.43286      40.78062 
1 1 1 -2  34 2  o 579.581 11.921 71.266  2.9259 67.746  4.1580  74.720  4.1180 564.466 17.394 592.944 16.399 -28.47784      23.90603 
1 1 1 -2  34 3  o 362.237 18.223 27.981  2.7865 30.475  4.2786  26.145  3.6720 376.536 27.011 349.008 25.010 27.52835       36.81171 
1 1 1 -2  34 4  o 335.508 12.900 23.891  1.8328 26.576  2.8352  21.963  2.4023 352.869 19.043 320.871 17.748 31.99802       26.03109 
1 1 1 -2  34 5  o 471.326 12.299 47.141  2.4550 47.111  3.6265  47.167  3.3354 470.569 18.198 471.022 16.721 -0.4528503     24.71352 
1 1 1 -2  34 6  o 322.006 14.029 22.019  1.9131 21.522  2.9800  22.367  2.4952 316.880 22.350 323.711 18.276 -6.830811      28.87077 
1 1 1 -2  34 7  o 272.746 14.449 15.845  1.6630 13.401  2.3994  18.106  2.3071 249.545 22.962 291.041 18.819 -41.49553      29.68830 
1 1 1 -2  34 8  o 751.268 12.394 119.796 3.9432 121.018 5.6148  118.606 5.5390 754.181 17.580 746.640 17.518 7.541504       24.81775 
1 1 1 -2  34 9  o 365.020 13.182 28.291  2.0377 33.682  3.0525  23.958  2.7367 397.792 18.120 334.819 19.384 62.97226       26.53395 
1 1 1 -2  34 10 o 555.499 12.747 65.513  2.9987 67.848  4.3316  63.364  4.1555 564.554 18.117 545.600 17.985 18.95416       25.52834 
1 1 1 -2  34 11 o 433.317 20.131 40.029  3.6941 31.371  5.9266  45.530  4.7240 378.751 37.439 460.802 24.293 -82.05029      44.63051 
1 1 1 -2  34 12 o 573.682 15.655 69.993  3.8033 70.479  4.6977  69.069  6.4798 575.018 19.291 567.453 26.964 7.565430       33.15438 
1 1 1 -2  34 13 o 276.240 17.456 16.319  2.0315 15.925  2.9375  16.681  2.8126 271.260 25.885 278.062 24.124 -6.802063      35.38374 
1 1 1 -2  34 14 o 293.303 17.273 18.402  2.1360 19.228  3.4905  17.907  2.7008 297.440 28.041 288.346 22.291 9.094604       35.82140 
1 1 1 -2  34 15 o 392.956 15.446 32.902  2.5705 27.907  4.0362  36.311  3.3340 358.724 26.761 412.125 19.102 -53.40170      32.87953 
1 1 1 -2  34 16 o 234.010 18.695 11.790  1.8372 14.537  2.9237  9.9971  2.3618 257.827 27.187 213.451 26.712 44.37651       38.11375 
1 1 1 -2  34 17 o 224.447 19.734 10.887  1.8567 9.7700  3.0209  11.566  2.3537 207.830 35.603 230.156 24.526 -22.32594      43.23351 
1 1 1 -2  34 18 o 341.828 15.609 24.966  2.2595 25.285  3.4196  24.718  3.0103 341.206 23.814 338.248 21.121 2.957550       31.83115 
1 1 1 -2  34 19 o 408.749 16.187 35.762  2.8020 36.009  4.2972  35.579  3.6958 406.399 25.091 405.464 21.602 0.9355469      33.10856 
1 1 1 -2  34 20 o 213.455 23.537 10.020  2.0923 10.822  2.5530  8.3785  3.6514 220.311 27.996 185.876 46.502 34.43579       54.27918 
1 1 1 -2  34 21 o 236.738 23.206 12.342  2.2967 14.201  2.7757  8.3051  4.0895 252.762 26.317 181.524 51.057 71.23816       57.44012 
1 1 1 -2  34 22 o 117.364 34.462 3.2077  1.8253 0.0000  0.0000  3.2077  1.8253 ?       ?      117.364 34.462 0.000000       34.46151 
1 1 1 -2  34 23 o 117.397 34.794 3.2433  1.8533 0.0000  0.0000  3.2433  1.8533 ?       ?      117.397 34.794 0.000000       34.79380 
1 1 1 -2  34 24 o 212.455 23.228 10.081  2.0559 5.9940  2.6942  15.778  3.1809 155.250 40.540 262.756 29.073 -107.5058      49.88700 
1 1 1 -2  34 25 o 237.755 23.724 12.652  2.3568 13.362  3.0917  11.667  3.6416 239.914 31.166 217.206 41.094 22.70728       51.57514 
1 1 1 -2  35 1  o 140.894 19.923 4.3105  1.1556 0.9585  1.7917  6.6980  1.5121 86.109  33.748 176.112 20.668 -90.00269      39.57342 
1 1 1 -2  35 2  o 566.574 12.211 68.123  2.9299 63.994  4.2224  71.957  4.0689 548.395 18.181 581.764 16.515 -33.36853      24.56230 
1 1 1 -2  35 3  o 176.615 25.922 6.8093  1.8811 7.1498  3.4302  6.6628  2.2495 177.666 45.417 173.457 31.796 4.209274       55.44039 
1 1 1 -2  35 4  o 115.361 25.809 2.9575  1.2293 3.9576  2.2930  2.5541  1.4563 133.640 38.449 107.671 30.532 25.96844       49.09774 
1 1 1 -2  35 5  o 323.575 16.109 22.260  2.2074 25.172  2.9493  18.550  3.3286 343.082 20.391 293.097 27.124 49.98566       33.93383 
1 1 1 -2  35 6  o 153.184 23.447 5.1246  1.4726 -0.4437 2.4388  8.3199  1.8475 83.491  36.465 196.150 22.657 -112.6587      42.93113 
1 1 1 -2  35 7  o 178.653 20.287 6.8891  1.5077 3.3914  2.2188  9.8891  2.0549 124.869 38.306 213.983 23.039 -89.11448      44.70077 
1 1 1 -2  35 8  o 393.878 12.892 32.940  2.1504 32.883  3.0383  32.997  3.0440 392.997 18.256 393.679 18.258 -0.6811829     25.81926 
1 1 1 -2  35 9  o 657.616 14.422 91.892  4.0164 94.901  4.9517  86.103  6.8671 667.746 17.510 634.202 25.568 33.54425       30.98967 
1 1 1 -2  35 10 o 445.994 15.562 42.296  2.9393 43.699  3.6947  39.879  4.8510 452.820 19.267 430.502 26.740 22.31833       32.95821 
1 1 1 -2  35 11 o 429.648 15.631 39.264  2.8441 38.443  3.5804  40.669  4.6818 424.535 19.915 434.914 25.532 -10.37872      32.37984 
1 1 1 -2  35 12 o 412.960 15.531 36.288  2.7161 36.636  4.2766  36.052  3.5164 412.717 24.580 410.921 20.207 1.796539       31.81930 
1 1 1 -2  35 13 o 577.685 14.754 71.021  3.6095 65.652  5.7722  74.469  4.6254 552.932 24.651 590.693 18.490 -37.76147      30.81454 
1 1 1 -2  35 14 o 466.905 13.916 46.398  2.7516 43.552  4.0193  48.909  3.7748 450.870 21.050 478.401 18.632 -27.53125      28.11169 
1 1 1 -2  35 15 o 276.537 17.351 16.402  2.0216 15.019  3.2752  17.253  2.5696 261.178 30.166 282.671 21.629 -21.49277      37.11916 
1 1 1 -2  35 16 f 305.392 16.918 19.999  2.1795 13.984  3.3973  24.206  2.8412 250.573 32.803 335.243 20.105 -84.67024      38.47371 
1 1 1 -2  35 17 o 193.827 20.420 8.1632  1.6510 5.6577  2.6168  9.8200  2.1280 156.059 39.546 211.786 24.158 -55.72673      46.34076 
1 1 1 -2  35 18 o 164.091 22.716 5.9240  1.5362 5.2289  2.5998  6.2970  1.9042 149.650 40.177 167.816 27.765 -18.16682      48.83729 
1 1 1 -2  35 19 o 156.627 27.827 5.5266  1.7781 4.7543  2.0988  7.4905  3.3468 143.090 34.939 176.691 44.695 -33.60147      56.73085 
1 1 1 -2  35 20 o 94.521  31.505 1.9245  1.4777 2.5425  1.7233  0.2080  2.8720 106.466 33.922 93.022  40.104 13.44399       52.52623 
1 1 1 -2  35 21 o 94.499  32.568 1.8892  1.5802 2.3472  1.7840  0.2210  3.4051 103.310 34.618 99.662  43.315 3.648148       55.44897 
1 1 1 -2  35 22 o 101.139 36.770 2.0887  2.0374 0.0000  0.0000  2.0887  2.0374 ?       ?      101.139 36.770 0.000000       36.76964 
1 1 1 -2  35 23 o 200.642 24.909 9.0574  2.0710 9.2056  2.5536  8.7725  3.5401 199.059 31.327 185.749 45.389 13.31041       55.15055 
1 1 1 -2  35 24 o 244.569 22.911 13.342  2.3453 11.578  3.0016  16.106  3.7579 221.882 32.944 260.769 34.904 -38.88649      47.99617 
1 1 1 -2  36 1  o 803.164 14.580 137.060 4.9590 135.396 6.1382  140.187 8.4145 797.518 18.174 809.739 24.538 -12.22052      30.53566 
1 1 1 -2  36 2  o 486.365 12.840 50.222  2.6448 49.477  3.7828  50.935  3.6991 482.048 18.530 489.193 17.855 -7.144775      25.73294 
1 1 1 -2  36 3  o 360.538 15.468 27.632  2.3617 31.973  4.6159  26.092  2.7488 385.020 28.512 349.556 18.636 35.46457       34.06230 
1 1 1 -2  36 4  o 499.150 14.689 52.944  3.1050 57.223  4.0368  46.745  4.8590 518.407 18.387 466.879 24.663 51.52808       30.76276 
1 1 1 -2  36 5  f 183.092 22.253 7.2596  1.6900 7.4312  2.4047  7.0921  2.3756 183.206 32.167 178.787 32.576 4.418182       45.78086 
1 1 1 -2  36 6  o 157.696 27.592 5.4833  1.7755 9.5415  2.6164  2.0191  2.4173 208.548 30.529 107.948 39.922 100.5999       50.25713 
1 1 1 -2  36 7  o 282.473 17.317 17.045  2.0616 17.636  2.6522  16.143  3.2770 286.585 22.021 272.728 28.809 13.85742       36.26152 
1 1 1 -2  36 8  o 397.326 15.355 33.566  2.5837 32.450  3.1531  35.846  4.5076 390.231 19.080 408.180 26.215 -17.94949      32.42330 
1 1 1 -2  36 9  o 454.443 12.410 43.852  2.3884 45.826  3.4461  42.027  3.3133 463.910 17.541 444.258 17.611 19.65201       24.85610 
1 1 1 -2  36 10 o 302.721 16.489 19.563  2.1059 19.218  3.7951  19.717  2.5313 297.092 30.602 303.368 19.812 -6.276703      36.45541 
1 1 1 -2  36 11 o 256.072 21.290 14.113  2.2878 10.011  3.3313  17.774  3.1474 211.059 38.697 286.486 26.233 -75.42735      46.75060 
1 1 1 -2  36 12 o 274.836 17.429 16.174  2.0181 18.845  3.2707  14.532  2.5644 294.729 26.487 259.211 23.621 35.51849       35.48956 
1 1 1 -2  36 13 o 187.268 20.552 7.5978  1.6031 4.9147  2.5870  9.2703  2.0425 146.751 40.364 206.350 23.810 -59.59888      46.86369 
1 1 1 -2  36 14 o 305.315 15.761 19.940  2.0310 17.864  3.0029  21.691  2.7572 286.704 24.982 317.355 20.627 -30.65103      32.39728 
1 1 1 -2  36 15 o 85.071  30.119 1.3945  1.3570 2.5221  2.3993  0.8642  1.6454 112.555 40.028 81.558  32.221 30.99635       51.38551 
1 1 1 -2  36 16 o 204.150 21.039 9.0611  1.7929 6.0722  2.7973  11.145  2.3357 161.344 40.888 225.553 24.866 -64.20924      47.85572 
1 1 1 -2  36 17 o 296.576 20.946 19.046  2.6138 24.899  3.4549  11.213  3.9971 338.061 24.294 218.101 44.775 119.9606       50.94134 
1 1 1 -2  36 18 o 228.456 24.391 11.471  2.3233 15.657  2.8808  3.6834  3.9294 266.725 25.827 135.290 50.726 131.4345       56.92286 
1 1 1 -2  36 19 o 52.615  23.703 -0.5088 1.1131 0.7083  1.7902  -1.2760 1.4213 81.175  33.073 53.901  25.178 27.27407       41.56564 
1 1 1 -2  36 20 o 289.417 22.494 18.394  2.7353 0.0000  0.0000  18.394  2.7353 ?       ?      289.417 22.494 0.000000       22.49410 
1 1 1 -2  36 21 o 171.299 47.800 7.4074  3.5993 0.0000  0.0000  7.4074  3.5993 ?       ?      171.299 47.800 0.000000       47.80034 
1 1 1 -2  36 22 o 340.410 20.350 25.393  2.9202 23.073  3.6841  29.316  4.7897 320.050 27.447 357.294 31.993 -37.24396      42.15364 
1 1 1 -2  36 23 o 155.049 27.219 5.5448  1.7221 7.6200  2.0754  0.9584  3.0854 182.036 27.804 99.111  42.119 82.92505       50.46829 
1 1 1 -2  36 24 f 222.107 21.284 10.959  1.9775 9.4859  2.6776  12.727  2.9329 200.348 32.686 234.204 30.280 -33.85590      44.55579 
1 1 1 -2  37 1  f 544.157 14.394 62.922  3.3171 57.236  4.0521  74.473  5.7754 518.395 18.458 590.355 23.101 -71.95990      29.56918 
1 1 1 -2  37 2  o 112.455 34.856 2.7284  1.8318 3.4630  2.2656  1.3416  3.1129 126.062 38.713 109.515 43.970 16.54678       58.58385 
1 1 1 -2  37 3  o 651.609 25.855 90.946  7.1346 90.946  7.1346  0.0000  0.0000 651.609 25.855 ?       ?      0.000000       25.85464 
1 1 1 -2  37 4  o 99.154  32.504 2.0408  1.5753 3.6937  2.4669  0.9027  2.0470 130.304 40.460 89.526  35.758 40.77782       53.99657 
1 1 1 -2  37 5  o 352.763 14.111 26.443  2.1081 24.941  3.2412  27.544  2.7752 340.939 22.576 359.147 18.307 -18.20709      29.06637 
1 1 1 -2  37 6  o 250.539 17.518 13.429  1.8470 15.228  2.9463  12.264  2.3706 265.214 26.590 238.300 23.809 26.91347       35.69175 
1 1 1 -2  37 7  o 375.370 15.134 29.962  2.4057 23.527  3.9581  33.732  3.0295 329.649 28.637 397.940 17.977 -68.29077      33.81213 
1 1 1 -2  37 8  o 293.467 15.642 18.374  1.9370 19.316  3.2351  17.847  2.4184 299.051 25.797 288.543 19.914 10.50815       32.58877 
1 1 1 -2  37 9  o 164.647 23.059 5.9120  1.5637 6.1687  2.3893  5.7196  2.0682 165.608 35.154 160.049 31.636 5.558548       47.29333 
1 1 1 -2  37 10 o 335.850 17.589 24.116  2.4930 23.783  3.0126  24.837  4.4405 332.735 21.494 337.370 31.442 -4.634644      38.08678 
1 1 1 -2  37 11 f 143.832 31.699 4.6584  1.8788 5.8308  2.8150  3.7166  2.5230 159.590 41.325 130.091 41.003 29.49898       58.21491 
1 1 1 -2  37 12 o 405.558 14.109 35.023  2.4232 33.777  3.5387  36.123  3.3252 396.359 21.158 410.923 19.108 -14.56470      28.50927 
1 1 1 -2  37 13 o 246.905 17.367 13.093  1.8044 13.339  2.6719  12.887  2.4465 247.133 25.916 243.375 24.052 3.757782       35.35667 
1 1 1 -2  37 14 o 139.734 26.189 4.3615  1.4928 3.8934  2.2147  4.7512  2.0210 130.756 37.836 144.239 33.694 -13.48311      50.66395 
1 1 1 -2  37 15 o 505.891 18.458 54.893  3.9544 56.152  5.3269  53.346  5.9018 509.094 24.708 493.710 28.346 15.38348       37.60295 
1 1 1 -2  37 16 o 204.656 26.038 9.2482  2.2056 10.625  2.8101  7.0389  3.5595 217.692 31.389 171.631 47.405 46.06175       56.85513 
1 1 1 -2  37 17 o 331.230 20.216 23.748  2.8221 25.249  3.6972  21.654  4.3684 339.231 25.932 310.245 33.796 28.98642       42.59820 
1 1 1 -2  37 18 o 126.518 34.843 3.7268  1.9262 0.0000  0.0000  3.7268  1.9262 ?       ?      126.518 34.843 0.000000       34.84299 
1 1 1 -2  37 19 o 133.792 32.207 4.1810  1.8029 0.0000  0.0000  4.1810  1.8029 ?       ?      133.792 32.207 0.000000       32.20729 
1 1 1 -2  37 20 o 328.221 22.309 23.664  3.0825 0.0000  0.0000  23.664  3.0825 ?       ?      328.221 22.309 0.000000       22.30925 
1 1 1 -2  37 21 o 345.920 25.271 26.648  3.6764 26.648  3.6764  0.0000  0.0000 345.920 25.271 ?       ?      0.000000       25.27068 
1 1 1 -2  37 22 o 104.740 30.249 2.5726  1.4168 2.1541  1.8102  3.2343  2.2763 99.177  34.818 116.907 39.104 -17.72940      52.35877 
1 1 1 -2  37 23 o 195.434 22.225 8.5470  1.8067 6.0633  2.4888  11.314  2.6270 156.430 37.955 221.515 28.676 -65.08456      47.57030 
1 1 1 -2  38 1  o 390.151 19.002 32.445  3.1396 33.303  4.7078  31.758  4.2134 392.679 28.504 384.036 26.061 8.642059       38.62233 
1 1 1 -2  38 2  o 114.227 36.562 2.7783  2.0002 4.3172  3.9273  2.2394  2.3242 146.336 51.290 109.528 39.349 36.80843       64.64531 
1 1 1 -2  38 3  o 815.012 18.450 141.541 6.3682 124.487 9.4121  155.939 8.6482 760.739 29.215 853.634 23.923 -92.89423      37.76005 
1 1 1 -2  38 4  o 88.284  35.839 0.7316  2.0929 -1.6783 3.6019  1.9600  2.5715 94.283  42.541 108.883 40.994 -14.60027      59.07858 
1 1 1 -2  38 5  o 649.124 14.264 89.572  3.9211 90.342  7.2279  89.251  4.6677 648.869 26.303 647.422 17.024 1.447327       31.33198 
1 1 1 -2  38 6  f 480.288 14.592 49.052  2.9680 56.449  5.6562  46.241  3.4867 512.198 26.163 465.865 17.673 46.33359       31.57282 
1 1 1 -2  38 7  o 233.445 16.676 11.665  1.6377 13.790  2.5973  10.262  2.1101 252.451 24.607 217.719 23.245 34.73105       33.84958 
1 1 1 -2  38 8  o 442.237 13.022 41.569  2.4387 36.640  3.4528  46.476  3.4450 414.181 19.685 466.914 17.422 -52.73294      26.28771 
1 1 1 -2  38 9  o 435.905 13.258 40.407  2.4474 39.210  3.4208  41.662  3.5029 428.466 18.853 441.685 18.727 -13.21878      26.57312 
1 1 1 -2  38 10 o 336.054 18.259 24.196  2.5888 23.377  3.1596  25.871  4.5159 329.217 22.803 343.711 31.370 -14.49484      38.78229 
1 1 1 -2  38 11 o 389.104 25.976 32.837  4.2557 32.837  4.2557  0.0000  0.0000 389.104 25.976 ?       ?      0.000000       25.97578 
1 1 1 -2  38 12 o 227.480 21.802 11.224  2.0746 12.503  2.5466  8.6996  3.5768 239.201 25.534 193.014 44.647 46.18680       51.43314 
1 1 1 -2  38 13 o 233.785 21.699 11.863  2.1238 10.756  2.6566  13.825  3.5354 220.307 29.194 248.197 34.574 -27.89023      45.25091 
1 1 1 -2  38 14 o 323.765 18.474 22.560  2.5224 21.244  3.1377  24.966  4.2412 312.442 23.895 336.305 30.097 -23.86356      38.42921 
1 1 1 -2  38 15 o 151.586 25.783 5.1276  1.5959 5.5651  2.6501  4.8787  1.9990 154.163 40.182 145.792 33.130 8.371216       52.07875 
1 1 1 -2  38 16 f 333.254 21.734 24.121  3.0506 0.0000  0.0000  24.121  3.0506 ?       ?      333.254 21.734 0.000000       21.73440 
1 1 1 -2  38 17 o 159.456 30.461 5.8109  1.9820 0.0000  0.0000  5.8109  1.9820 ?       ?      159.456 30.461 0.000000       30.46105 
1 1 1 -2  38 18 o 221.746 23.976 10.891  2.2157 0.0000  0.0000  10.891  2.2157 ?       ?      221.746 23.976 0.000000       23.97573 
1 1 1 -2  38 19 o 292.913 17.453 18.601  2.1552 16.889  3.4269  19.720  2.7719 272.851 30.162 299.614 22.000 -26.76370      37.33269 
1 1 1 -2  38 20 o 385.621 19.050 32.315  3.1109 32.333  4.1436  32.293  4.7096 380.905 25.840 377.707 29.682 3.198059       39.35413 
1 1 1 -2  38 21 o 215.635 45.506 11.821  4.0250 0.0000  0.0000  11.821  4.0250 ?       ?      215.635 45.506 0.000000       45.50579 
1 1 1 -2  38 22 o 62.649  25.428 0.4416  1.0534 0.8364  1.4493  -0.0005 1.5337 75.724  30.137 67.160  29.129 8.563919       41.91393 
1 1 1 -2  38 23 o 143.476 26.376 4.7660  1.5436 2.7837  2.0389  7.4276  2.3626 108.983 37.007 176.344 32.844 -67.36098      49.47990 
1 1 1 -2  39 1  o 212.577 21.558 9.7556  1.9139 8.3605  2.9030  10.828  2.5455 193.055 36.852 222.800 27.566 -29.74475      46.02140 
1 1 1 -2  39 2  o 261.752 20.944 14.729  2.3022 13.811  2.9071  16.274  3.7704 251.966 27.702 272.234 33.405 -20.26755      43.39675 
1 1 1 -2  39 3  o 537.758 13.283 61.459  3.0249 53.222  4.4473  68.549  4.1264 499.049 21.043 567.234 17.178 -68.18460      27.16411 
1 1 1 -2  39 4  o 457.671 15.684 44.586  3.0399 43.309  3.8182  46.797  5.0238 450.328 20.021 466.202 25.543 -15.87341      32.45419 
1 1 1 -2  39 5  o 594.567 14.970 75.226  3.7693 71.879  4.7399  80.984  6.2168 580.243 19.289 614.558 23.887 -34.31561      30.70272 
1 1 1 -2  39 6  o 407.027 16.517 35.303  2.8471 35.594  3.6387  34.844  4.5720 407.341 21.166 401.380 27.055 5.960571       34.35085 
1 1 1 -2  39 7  o 249.673 20.977 13.434  2.1975 13.386  2.8351  13.507  3.4778 247.687 27.492 246.881 34.181 0.8065948      43.86546 
1 1 1 -2  39 8  o 442.292 15.833 41.700  2.9657 40.129  3.6332  44.835  5.1338 433.069 19.810 455.077 26.756 -22.00803      33.29192 
1 1 1 -2  39 9  o 155.495 27.251 5.3731  1.7291 5.7637  2.0218  4.3096  3.3360 160.256 30.911 141.001 47.339 19.25450       56.53767 
1 1 1 -2  39 10 o 291.642 19.185 18.296  2.3563 16.673  2.8395  21.883  4.2225 276.985 24.458 314.904 32.112 -37.91858      40.36570 
1 1 1 -2  39 11 o 463.882 18.064 46.075  3.5487 39.142  4.9604  53.344  5.0789 423.516 27.811 496.977 24.132 -73.46088      36.82123 
1 1 1 -2  39 12 o 569.954 13.578 69.257  3.2773 69.069  4.7458  69.430  4.5313 567.016 19.764 568.881 18.809 -1.865356      27.28319 
1 1 1 -2  39 13 o 125.085 32.591 3.5797  1.7438 0.4767  4.3055  4.1885  1.9072 114.582 49.249 135.066 33.505 -20.48357      59.56488 
1 1 1 -2  39 14 o 162.077 29.356 5.9261  1.9407 4.1144  5.1780  6.2222  2.0933 147.526 57.494 165.652 30.979 -18.12599      65.30924 
1 1 1 -2  39 15 o 89.856  34.900 1.2467  1.9029 0.0000  0.0000  1.2467  1.9029 ?       ?      89.856  34.900 0.000000       34.90007 
1 1 1 -2  39 16 o 75.233  29.674 0.7742  1.3933 0.0000  0.0000  0.7742  1.3933 ?       ?      75.233  29.674 0.000000       29.67357 
1 1 1 -2  39 17 o 201.088 20.119 8.8564  1.6903 11.145  2.7857  7.5226  2.1265 221.439 30.516 182.123 28.506 39.31650       41.75911 
1 1 1 -2  39 18 o 271.359 20.167 16.105  2.3010 14.730  3.1118  17.763  3.4179 254.990 29.353 280.335 29.219 -25.34518      41.41674 
1 1 1 -2  39 19 o 73.561  28.796 0.8094  1.3034 0.1473  1.7289  1.6810  1.9837 73.159  31.319 94.936  35.945 -21.77785      47.67532 
1 1 1 -2  39 20 o 204.214 21.157 9.2401  1.8032 7.6690  2.7219  10.469  2.4072 177.861 37.327 214.614 27.089 -36.75296      46.12082 
1 1 1 -2  39 21 o 187.604 27.909 8.1231  2.1498 0.0000  0.0000  8.1231  2.1498 ?       ?      187.604 27.909 0.000000       27.90900 
1 1 1 -2  39 22 o 142.580 23.597 4.6376  1.3750 5.2719  2.0026  4.0720  1.8912 147.802 32.847 129.161 34.080 18.64018       47.33251 
1 1 1 -2  40 1  o 505.461 13.428 54.334  2.8744 57.596  4.1759  51.396  3.9624 519.295 18.989 490.530 19.074 28.76514       26.91474 
1 1 1 -2  40 2  o 115.541 44.430 2.1108  3.0604 0.0000  0.0000  2.1108  3.0604 ?       ?      115.541 44.430 0.000000       44.43034 
1 1 1 -2  40 3  f 280.770 19.972 16.939  2.3593 19.732  4.8097  16.054  2.7074 297.441 39.133 272.479 23.699 24.96179       45.74945 
1 1 1 -2  40 4  o 485.215 15.365 50.151  3.1572 50.863  5.9242  49.869  3.7312 484.133 29.029 483.260 18.231 0.8726501      34.27907 
1 1 1 -2  40 5  o 135.150 29.420 4.1028  1.6361 5.3931  3.6081  3.7688  1.8356 154.904 49.056 129.121 33.339 25.78252       59.31239 
1 1 1 -2  40 6  o 119.428 30.801 3.2153  1.5680 2.6328  3.3530  3.3783  1.7739 123.331 46.723 122.403 33.325 0.9282074      57.38988 
1 1 1 -2  40 7  o 188.693 23.669 7.7777  1.8498 6.3593  4.0777  8.1451  2.0756 166.217 52.086 192.543 26.130 -26.32527      58.27290 
1 1 1 -2  40 8  o 421.959 15.925 38.005  2.8458 40.431  5.8175  37.241  3.2628 428.846 32.269 417.126 18.470 11.72034       37.18140 
1 1 1 -2  40 9  o 228.098 20.062 11.250  1.9182 9.0471  4.3315  11.787  2.1394 194.536 51.695 233.061 21.934 -38.52460      56.15567 
1 1 1 -2  40 10 o 324.454 18.358 22.634  2.5121 16.180  5.2879  24.515  2.8547 261.628 49.540 337.213 20.081 -75.58496      53.45562 
1 1 1 -2  40 11 f 97.899  34.898 1.8781  1.8248 0.0000  0.0000  1.8781  1.8248 ?       ?      97.899  34.898 0.000000       34.89817 
1 1 1 -2  40 12 o 183.582 26.751 7.4877  2.0186 6.0983  5.0337  7.7540  2.2036 163.417 57.993 186.189 28.883 -22.77199      64.78731 
1 1 1 -2  40 13 o 474.484 17.139 48.293  3.4439 43.689  7.3522  49.587  3.8980 437.418 40.137 480.023 19.175 -42.60480      44.48251 
1 1 1 -2  40 14 o 215.889 18.966 10.113  1.7164 8.8958  2.4179  11.349  2.4369 198.928 29.603 226.567 25.861 -27.63966      39.30841 
1 1 1 -2  40 15 o 251.925 18.918 13.771  2.0035 15.412  3.2130  12.728  2.5628 262.296 29.433 239.723 25.642 22.57381       39.03631 
1 1 1 -2  40 16 o 160.098 22.421 5.6950  1.4784 6.5239  2.4166  5.1992  1.8690 166.465 35.371 150.045 30.454 16.41978       46.67463 
1 1 1 -2  40 17 o 132.471 29.276 4.0724  1.5987 4.3054  2.4582  3.9016  2.1045 133.650 40.177 127.925 36.844 5.725525       54.51304 
1 1 1 -2  40 18 o 253.783 20.961 14.163  2.2326 13.142  2.9852  15.458  3.3631 239.826 30.052 259.619 31.214 -19.79286      43.32991 
1 1 1 -2  40 19 o 122.598 25.336 3.4559  1.2719 3.0989  1.9036  3.7437  1.7095 114.440 35.544 125.515 32.049 -11.07494      47.85938 
1 1 1 -2  40 20 o 176.201 22.002 6.9588  1.6060 3.7257  2.4622  9.3527  2.1187 123.321 40.648 203.017 25.184 -79.69529      47.81670 
1 1 1 -2  40 21 o 138.733 33.188 4.6753  1.9236 0.0000  0.0000  4.6753  1.9236 ?       ?      138.733 33.188 0.000000       33.18751 
1 1 1 -2  40 22 o 136.186 24.602 4.2712  1.3667 4.3363  1.9227  4.2048  1.9430 133.112 33.989 130.849 34.552 2.263489       48.46774 
1 1 1 -2  41 1  o 101.730 32.762 2.2133  1.6041 -0.0587 2.6298  3.5595  2.0243 89.139  38.403 125.714 36.114 -36.57523      52.71620 
1 1 1 -2  41 2  o 168.695 35.212 6.4567  2.4343 7.7787  3.5586  5.2940  3.3373 182.680 46.021 152.558 47.009 30.12166       65.78568 
1 1 1 -2  41 3  o 359.479 15.134 27.549  2.3039 23.997  3.4654  30.362  3.0843 332.757 24.769 376.084 19.432 -43.32761      31.48163 
1 1 1 -2  41 4  o 304.507 16.214 19.846  2.0833 16.868  3.2828  21.854  2.6957 277.530 28.328 318.702 20.076 -41.17163      34.72057 
1 1 1 -2  41 5  o 242.667 17.817 12.660  1.8182 10.041  2.7719  14.637  2.4088 212.280 31.814 260.028 22.083 -47.74843      38.72677 
1 1 1 -2  41 6  o 301.145 16.089 19.422  2.0444 14.040  3.1178  23.481  2.7079 252.233 29.761 330.388 19.440 -78.15520      35.54699 
1 1 1 -2  41 7  o 98.965  34.687 1.9537  1.7962 3.2194  3.8948  1.6118  2.0244 132.629 50.330 96.821  36.389 35.80753       62.10658 
1 1 1 -2  41 8  o 393.153 16.139 33.044  2.6871 34.941  3.4974  30.311  4.1983 402.582 20.582 372.562 26.788 30.01938       33.78228 
1 1 1 -2  41 9  o 207.414 18.787 9.3071  1.6323 9.2913  2.4375  9.3201  2.1979 204.329 28.981 205.662 25.804 -1.333023      38.80358 
1 1 1 -2  41 10 o 182.878 19.325 7.2672  1.4740 7.9748  2.1820  6.6733  1.9991 189.155 28.093 172.652 28.323 16.50233       39.89221 
1 1 1 -2  41 11 o 115.016 30.268 3.0177  1.4943 6.8879  2.6847  1.2804  1.7987 172.055 37.872 88.984  34.099 83.07111       50.96082 
1 1 1 -2  41 12 o 127.047 27.973 3.6698  1.4643 7.1612  2.2485  1.0985  1.9296 177.738 31.000 88.434  34.908 89.30402       46.68528 
1 1 1 -2  41 13 o 283.784 16.191 17.330  1.9377 15.723  2.8102  18.787  2.6754 267.232 25.127 293.693 21.664 -26.46130      33.17623 
1 1 1 -2  41 14 o 135.779 26.922 4.1894  1.4934 3.2906  2.2640  4.8816  1.9869 120.169 38.945 144.835 33.115 -24.66590      51.12045 
1 1 1 -2  41 15 o 135.589 31.419 4.2868  1.7688 2.5011  2.1659  7.8626  3.0649 107.994 38.071 180.194 41.077 -72.19928      56.00661 
1 1 1 -2  41 16 o 70.339  29.866 0.2027  1.5490 3.4913  2.3756  -2.2295 2.0430 122.009 39.912 61.266  29.092 60.74309       49.39007 
1 1 1 -2  41 17 o 104.448 29.286 2.5333  1.3477 3.1276  2.4644  2.2797  1.6097 117.114 40.653 100.526 32.853 16.58775       52.26844 
1 1 1 -2  41 18 o 166.597 23.162 6.2328  1.5899 4.6614  2.6289  7.1390  1.9964 137.168 41.620 176.515 27.611 -39.34726      49.94598 
1 1 1 -2  41 19 o 179.519 21.225 7.1937  1.5824 7.3522  2.3559  7.0634  2.1359 175.619 32.886 173.562 30.153 2.057159       44.61731 
1 1 1 -2  41 20 o 69.438  29.936 0.1171  1.6002 -0.9431 1.8447  3.3414  3.2170 64.792  29.700 120.146 45.706 -55.35442      54.50822 
1 1 1 -2  41 21 o 183.549 21.882 7.5766  1.6674 5.7118  2.5670  8.9377  2.1930 149.573 39.820 196.705 27.041 -47.13191      48.13397 
1 1 1 -2  42 1  o 291.702 20.446 18.362  2.5098 18.631  3.2176  17.945  4.0111 292.070 26.296 283.721 34.064 8.349274       43.03250 
1 1 1 -2  42 2  o 324.826 22.672 22.844  3.0992 18.435  4.4257  27.085  4.3415 286.152 37.417 351.291 29.455 -65.13950      47.61938 
1 1 1 -2  42 3  o 487.815 13.693 50.720  2.8287 47.022  4.1950  53.803  3.8305 467.566 21.186 501.215 18.046 -33.64868      27.82988 
1 1 1 -2  42 4  o 298.538 16.256 19.106  2.0475 19.592  3.1057  18.732  2.7231 299.969 24.666 294.098 22.024 5.871552       33.06777 
1 1 1 -2  42 5  o 138.013 27.737 4.2860  1.5649 4.5561  2.4050  4.0877  2.0609 140.519 39.024 133.468 35.746 7.051178       52.92105 
1 1 1 -2  42 6  o 177.158 22.890 6.8847  1.6772 4.5901  2.7727  8.2086  2.1061 141.181 42.722 192.645 26.519 -51.46452      50.28322 
1 1 1 -2  42 7  o 71.109  28.802 0.5125  1.3484 -5.8880 2.4611  3.2580  1.6119 54.775  27.232 119.524 31.428 -64.74967      41.58466 
1 1 1 -2  42 8  f 260.304 15.933 14.553  1.7479 13.864  2.5910  15.129  2.3678 251.576 24.636 263.959 21.365 -12.38287      32.60971 
1 1 1 -2  42 9  o 421.287 13.532 37.885  2.4142 34.377  3.5322  40.960  3.3073 398.549 21.002 436.748 17.881 -38.19849      27.58292 
1 1 1 -2  42 10 o 171.585 19.678 6.4235  1.4040 8.0501  2.0473  4.9793  1.9291 190.423 26.072 147.354 31.843 43.06866       41.15496 
1 1 1 -2  42 11 o 184.171 20.671 7.4173  1.5844 8.3230  2.5303  6.8331  2.0320 191.173 32.412 174.218 28.530 16.95511       43.17939 
1 1 1 -2  42 12 o 213.759 19.403 9.9433  1.7373 9.5826  2.6359  10.220  2.3101 205.526 31.271 214.525 25.956 -8.999130      40.63940 
1 1 1 -2  42 13 o 219.845 22.018 10.620  2.0224 9.3549  2.5942  12.581  3.2292 202.513 31.255 234.274 33.502 -31.76117      45.81738 
1 1 1 -2  42 14 o 82.722  36.462 -0.2851 2.4890 0.5717  4.8478  -0.5918 2.9004 116.752 51.191 86.823  38.751 29.92853       64.20404 
1 1 1 -2  42 15 o 58.764  27.112 -1.0670 1.5717 -1.2218 1.9797  -0.8032 2.5851 66.321  30.536 80.099  36.100 -13.77877      47.28278 
1 1 1 -2  42 16 o 126.819 27.384 3.7226  1.4276 5.9343  2.4953  2.6463  1.7407 156.144 38.078 107.044 34.092 49.09988       51.10965 
1 1 1 -2  42 17 o 118.501 27.062 3.2650  1.3283 6.2675  2.2467  1.6516  1.6469 162.134 33.816 90.451  33.032 71.68317       47.27168 
1 1 1 -2  42 18 o 156.787 24.267 5.5967  1.5592 2.3807  2.6197  7.3610  1.9404 107.405 41.153 179.192 26.357 -71.78690      48.86969 
1 1 1 -2  42 19 o 183.913 21.727 7.5971  1.6595 4.8887  2.5075  9.7079  2.2137 138.337 40.326 205.811 25.977 -67.47415      47.96875 
1 1 1 -2  42 20 o 165.247 29.325 6.4488  1.9771 6.6145  2.3745  6.0745  3.5696 163.827 35.269 148.796 48.937 15.03119       60.32200 
1 1 1 -2  43 1  o 204.880 21.222 9.1395  1.8146 8.1806  2.9161  9.7454  2.3181 188.295 37.881 210.033 26.662 -21.73840      46.32345 
1 1 1 -2  43 2  o 342.553 17.307 25.208  2.5026 23.212  4.5730  26.062  2.9901 322.123 34.038 347.353 20.417 -25.23004      39.69198 
1 1 1 -2  43 3  o 192.242 21.946 8.0759  1.7546 7.2193  2.7876  8.6380  2.2581 176.376 38.409 197.138 27.821 -20.76158      47.42611 
1 1 1 -2  43 4  o 119.142 31.443 3.2409  1.6096 -0.0809 2.5485  5.4454  2.0761 86.807  37.600 154.284 32.785 -67.47697      49.88621 
1 1 1 -2  43 5  o 119.144 30.375 3.2408  1.5372 3.9026  2.3538  2.7486  2.0299 130.417 39.339 112.209 36.904 18.20798       53.93946 
1 1 1 -2  43 6  o 149.815 26.566 5.0322  1.6238 3.0213  2.6244  6.2795  2.0670 119.659 41.928 166.534 30.429 -46.87467      51.80645 
1 1 1 -2  43 7  o 67.752  28.161 0.2963  1.3327 1.0572  2.5070  -0.0034 1.5734 96.230  39.164 69.378  29.794 26.85149       49.20868 
1 1 1 -2  43 8  o 344.359 14.093 25.345  2.0552 28.050  3.1120  23.252  2.7371 359.865 20.505 327.790 19.810 32.07516       28.51142 
1 1 1 -2  43 9  o 210.275 17.986 9.5772  1.5863 8.3353  2.3867  10.560  2.1230 192.084 30.348 219.305 23.212 -27.22084      38.20713 
1 1 1 -2  43 10 f 98.588  28.243 2.1988  1.2396 2.1338  1.8640  2.2503  1.6599 101.270 35.344 101.527 33.370 -0.2577057     48.60828 
1 1 1 -2  43 11 o 67.226  27.631 0.3901  1.2634 0.4388  1.7768  0.3402  1.7967 77.796  32.442 77.077  32.415 0.7191162      45.86056 
1 1 1 -2  43 12 o 77.150  29.868 0.9307  1.3903 2.0884  1.9127  -0.3663 2.0244 100.389 35.735 74.251  32.798 26.13758       48.50463 
1 1 1 -2  43 13 o 417.718 16.944 37.686  2.9973 38.677  3.8025  36.059  4.8709 420.218 21.439 400.311 28.927 19.90744       36.00510 
1 1 1 -2  43 14 o 147.516 26.684 4.9811  1.6056 3.0783  2.3842  6.5603  2.1720 116.030 40.003 167.497 31.783 -51.46745      51.09182 
1 1 1 -2  43 15 o 189.193 22.141 7.9661  1.7404 6.8526  2.5239  8.9756  2.4032 168.661 36.403 197.406 29.664 -28.74521      46.95823 
1 1 1 -2  43 16 o 119.091 28.447 3.3246  1.4150 0.4356  2.2373  5.2507  1.8268 83.920  35.770 149.742 29.855 -65.82177      46.59144 
1 1 1 -2  43 17 o 172.706 23.032 6.7305  1.6425 4.9387  2.7414  7.7340  2.0516 139.093 42.564 183.188 27.277 -44.09500      50.55417 
1 1 1 -2  43 18 o 69.144  28.171 0.5728  1.2989 -0.9135 2.3150  1.2557  1.5692 73.370  33.497 82.818  31.822 -9.447914      46.20292 
1 1 1 -2  43 19 o 238.483 18.945 12.586  1.8976 12.930  3.1937  12.398  2.3593 231.736 33.516 233.572 24.203 -1.836899      41.34138 
1 1 1 -2  44 1  o 444.552 13.922 42.217  2.6210 44.910  3.8753  39.946  3.5583 456.369 20.052 430.614 19.512 25.75504       27.97845 
1 1 1 -2  44 2  o 320.597 17.909 22.149  2.4218 22.577  4.6890  21.994  2.8282 315.785 35.689 318.399 21.094 -2.614532      41.45671 
1 1 1 -2  44 3  o 66.602  28.485 0.0326  1.4276 0.6733  2.1136  -0.5050 1.9360 86.457  35.660 71.999  31.925 14.45798       47.86298 
1 1 1 -2  44 4  o 335.561 15.011 24.096  2.1332 22.919  3.1439  25.100  2.9040 324.207 23.049 340.461 20.233 -16.25488      30.66903 
1 1 1 -2  44 5  o 377.120 14.355 30.413  2.2926 33.024  3.3885  28.208  3.1135 390.460 20.565 360.830 20.459 29.62961       29.00845 
1 1 1 -2  44 6  o 58.561  26.835 -0.9622 1.5041 -1.6571 2.4186  -0.5239 1.9206 72.725  33.580 71.418  31.726 1.306931       46.19727 
1 1 1 -2  44 7  o 72.512  29.164 0.6036  1.3720 -2.2098 2.5119  1.7999  1.6379 71.068  33.285 94.156  33.116 -23.08817      46.95282 
1 1 1 -2  44 8  o 119.132 32.573 3.2795  1.6906 3.0806  2.3299  3.5005  2.4567 117.784 39.562 124.077 40.588 -6.292473      56.67915 
1 1 1 -2  44 9  o 319.664 16.774 22.039  2.2629 21.823  2.9886  22.329  3.4642 315.813 22.493 317.795 25.967 -1.981445      34.35450 
1 1 1 -2  44 10 o 128.242 28.473 3.7841  1.5061 4.3540  2.0757  3.1505  2.1886 135.737 35.650 117.453 38.304 18.28394       52.32731 
1 1 1 -2  44 11 o 148.346 27.503 5.0299  1.6642 4.3600  2.2064  5.9139  2.5347 134.991 37.338 156.646 38.486 -21.65448      53.62142 
1 1 1 -2  44 12 o 206.433 24.024 9.5157  2.0610 12.684  3.0141  6.7336  2.8244 234.951 31.054 165.596 40.590 69.35524       51.10622 
1 1 1 -2  44 13 o 183.161 21.868 7.4620  1.6627 8.4892  2.6231  6.7722  2.1497 189.677 33.899 170.435 30.922 19.24245       45.88408 
1 1 1 -2  44 14 o 88.231  34.266 1.3355  1.8342 2.4384  2.4785  -0.0000 2.7273 108.036 40.330 87.533  38.387 20.50311       55.67857 
1 1 1 -2  44 15 o 163.252 24.126 6.0362  1.6177 3.5912  2.2754  8.5352  2.3004 121.752 39.000 192.046 29.206 -70.29366      48.72306 
1 1 1 -2  44 16 o 210.054 20.643 9.8114  1.8126 11.031  2.7136  8.8285  2.4357 217.198 30.329 193.751 30.709 23.44783       43.16186 
1 1 1 -2  44 17 o 163.048 22.851 6.0385  1.5345 7.1121  2.5861  5.4551  1.9063 168.681 37.201 150.814 30.887 17.86778       48.35250 
1 1 1 -2  44 18 o 189.920 21.279 8.1107  1.6820 8.8945  2.6920  7.6087  2.1544 190.545 34.636 179.351 29.382 11.19405       45.42010 
1 1 1 -2  44 19 o 110.377 28.872 2.9248  1.3650 4.1373  2.3788  2.3296  1.6668 127.042 39.778 99.560  33.461 27.48228       51.98027 
1 1 1 -2  45 1  o 136.014 32.376 4.2799  1.8380 11.828  3.9109  2.1401  2.0822 223.166 42.940 103.357 37.233 119.8093       56.83423 
1 1 1 -2  45 2  o 233.738 22.431 11.967  2.1931 14.956  3.0174  8.6205  3.1931 259.304 27.917 190.754 40.763 68.54967       49.40672 
1 1 1 -2  45 3  o 172.439 31.286 6.7899  2.2006 5.1517  2.8573  9.1784  3.4500 147.020 43.101 195.932 42.778 -48.91176      60.72615 
1 1 1 -2  45 4  o 119.442 40.251 3.1698  2.4119 3.1698  2.4119  0.0000  0.0000 119.442 40.251 ?       ?      0.000000       40.25089 
1 1 1 -2  45 5  o 262.376 20.545 14.995  2.2646 13.914  3.0175  16.388  3.4266 249.219 29.141 270.023 30.500 -20.80408      42.18312 
1 1 1 -2  45 6  o 107.923 36.730 2.5312  2.0086 1.8644  2.5279  3.6730  3.3083 104.119 40.285 129.893 46.911 -25.77385      61.83441 
1 1 1 -2  45 7  o 133.463 29.358 4.1015  1.6142 3.4592  2.3019  4.7230  2.2642 122.448 39.226 141.109 37.318 -18.66142      54.14137 
1 1 1 -2  45 8  o 158.976 28.053 5.7554  1.8196 6.9521  2.4863  4.3750  2.6702 172.003 35.316 135.385 42.104 36.61795       54.95420 
1 1 1 -2  45 9  o 149.923 21.852 5.0044  1.3466 6.5491  2.1555  4.0157  1.7245 168.093 31.436 130.965 31.483 37.12839       44.48997 
1 1 1 -2  45 10 o 64.880  27.589 0.1381  1.3253 0.1486  2.2019  0.1322  1.6596 81.352  35.093 71.656  30.681 9.695946       46.61407 
1 1 1 -2  45 11 o 138.157 26.736 4.3913  1.5077 3.6939  2.4559  4.8130  1.9100 124.242 40.578 142.533 32.380 -18.29192      51.91395 
1 1 1 -2  45 12 f 53.921  25.048 -1.0656 1.3759 -2.6253 2.0598  0.1911  1.8489 59.153  28.394 75.408  32.338 -16.25491      43.03436 
1 1 1 -2  45 13 o 223.520 19.889 11.013  1.8630 13.264  2.8121  9.2524  2.4870 241.008 28.079 199.586 30.383 41.42174       41.37086 
1 1 1 -2  45 14 o 177.942 23.868 7.1566  1.7533 5.9017  2.5255  8.3241  2.4359 153.930 38.765 187.911 31.741 -33.98032      50.10196 
1 1 1 -2  45 15 o 164.552 24.614 6.1914  1.6625 5.7318  2.4391  6.5903  2.2722 151.053 38.126 164.947 33.667 -13.89363      50.86323 
1 1 1 -2  45 16 o 289.772 18.186 18.496  2.2204 17.432  3.4044  19.283  2.9291 272.502 29.997 291.869 23.907 -19.36740      38.35877 
1 1 1 -2  45 17 o 79.446  28.849 1.3027  1.2537 0.1554  2.4281  1.7197  1.4639 82.491  36.197 88.377  31.284 -5.885735      47.84291 
1 1 1 -2  45 18 o 65.696  29.931 -0.7381 1.8363 1.4414  2.2721  -4.8422 3.1179 92.374  37.397 66.718  32.683 25.65620       49.66616 
1 1 1 -2  46 1  f 146.273 41.682 5.1492  2.7072 5.1492  2.7072  0.0000  0.0000 146.273 41.682 ?       ?      0.000000       41.68173 
1 1 1 -2  46 2  o 189.823 24.817 8.0262  1.9472 3.6163  2.8331  11.974  2.6807 126.465 43.606 231.055 27.966 -104.5899      51.80288 
1 1 1 -2  46 3  o 327.298 19.109 23.255  2.6371 18.440  3.4464  30.058  4.0961 286.820 28.761 368.259 26.441 -81.43936      39.06831 
1 1 1 -2  46 4  o 420.246 13.946 37.844  2.4820 35.900  3.6406  39.533  3.3927 405.627 21.268 427.484 18.740 -21.85651      28.34632 
1 1 1 -2  46 5  o 238.547 18.683 12.387  1.8723 12.871  2.8678  12.028  2.4718 238.798 28.949 232.331 25.544 6.466293       38.60795 
1 1 1 -2  46 6  o 131.753 33.489 4.0952  1.8725 0.6281  3.6386  5.3442  2.1839 104.775 45.155 150.150 34.993 -45.37455      57.12711 
1 1 1 -2  46 7  o 116.147 30.756 3.1551  1.5367 3.9373  2.8668  2.8397  1.8203 129.183 43.881 110.795 34.814 18.38779       56.01392 
1 1 1 -2  46 8  o 172.094 22.571 6.6083  1.6053 3.6249  3.0885  7.7126  1.8791 125.770 45.341 185.304 24.549 -59.53382      51.56001 
1 1 1 -2  46 9  o 259.306 17.054 14.626  1.8624 14.265  3.1692  14.816  2.3017 248.917 30.716 259.169 21.156 -10.25175      37.29642 
1 1 1 -2  46 10 o 178.028 21.124 7.0465  1.5616 7.2022  2.3401  6.9214  2.0966 174.514 32.869 172.582 29.762 1.931335       44.34163 
1 1 1 -2  46 11 o 106.950 29.275 2.6876  1.3647 3.2064  1.9976  2.2337  1.8687 115.868 36.480 100.697 35.375 15.17032       50.81476 
1 1 1 -2  46 12 o 120.641 31.281 3.4727  1.6115 3.4404  2.1881  3.5110  2.3824 119.296 38.247 120.554 39.995 -1.257751      55.33921 
1 1 1 -2  46 13 o 361.961 15.623 28.395  2.3947 23.780  3.4987  32.462  3.2847 324.135 25.699 383.532 20.296 -59.39728      32.74665 
1 1 1 -2  46 14 o 90.259  31.822 1.7868  1.5132 -0.5166 2.1932  3.8797  2.0905 74.141  33.348 124.634 36.957 -50.49297      49.77876 
1 1 1 -2  46 15 o 156.397 29.514 5.8329  1.8831 6.5746  2.2993  4.3219  3.2819 163.228 34.350 128.670 46.685 34.55756       57.95990 
1 1 1 -2  46 16 o 192.875 27.670 8.7222  2.1954 9.8746  2.7873  6.8391  3.5630 200.770 33.995 155.257 48.694 45.51328       59.38689 
1 1 1 -2  46 17 o 153.678 33.923 5.8607  2.1486 5.1040  2.7349  7.0810  3.4730 138.192 42.551 158.476 47.781 -20.28333      63.98133 
1 1 1 -2  47 1  f 118.131 40.723 3.1770  2.4708 0.3866  3.9838  4.9215  3.1499 106.470 46.551 141.528 45.942 -35.05877      65.40373 
1 1 1 -2  47 2  o 143.925 39.975 5.0510  2.5235 2.7981  3.9950  6.5467  3.2551 123.916 49.791 161.337 45.612 -37.42068      67.52446 
1 1 1 -2  47 3  o 135.481 38.330 4.4378  2.2978 -0.0005 3.7367  7.1368  2.9139 101.106 44.615 170.560 40.875 -69.45367      60.50889 
1 1 1 -2  47 4  o 324.180 22.263 23.172  3.0380 27.503  4.5534  19.697  4.0784 346.800 31.342 291.479 33.659 55.32074       45.99185 
1 1 1 -2  47 5  o 239.294 25.743 12.867  2.5677 18.021  3.8346  8.6772  3.4572 278.699 33.139 185.578 44.554 93.12158       55.52694 
1 1 1 -2  47 6  o 104.588 37.915 2.3356  2.1641 2.2768  3.1426  2.3887  2.9846 111.760 44.410 111.565 43.603 0.1952362      62.23743 
1 1 1 -2  47 7  o 165.538 35.088 6.5835  2.3834 6.5835  2.3834  0.0000  0.0000 165.538 35.088 ?       ?      0.000000       35.08760 
1 1 1 -2  47 8  o 212.107 23.581 10.086  2.0823 12.363  2.6540  6.4389  3.3586 232.910 27.434 157.249 46.893 75.66034       54.32783 
1 1 1 -2  47 9  o 186.382 24.911 7.8702  1.9170 7.8860  2.3702  7.8403  3.2597 183.047 31.726 174.913 44.035 8.134247       54.27381 
1 1 1 -2  47 10 o 183.320 25.856 7.6668  1.9516 4.4724  2.4943  12.709  3.1338 133.744 40.531 232.293 32.766 -98.54907      52.11925 
1 1 1 -2  47 11 o 102.927 34.593 2.4493  1.7815 1.6868  2.0642  4.6747  3.5265 94.435  36.441 135.439 48.490 -41.00404      60.65616 
1 1 1 -2  47 12 o 155.743 38.413 6.1149  2.5177 6.1149  2.5177  0.0000  0.0000 155.743 38.413 ?       ?      0.000000       38.41278 
1 1 1 -2  47 13 o 122.339 39.173 3.7860  2.2959 3.7860  2.2959  0.0000  0.0000 122.339 39.173 ?       ?      0.000000       39.17276 
1 1 1 -2  47 14 o 124.763 35.351 3.9200  1.9530 4.7440  2.3242  1.9404  3.6024 135.459 38.628 107.978 45.680 27.48119       59.82273 
1 1 1 -2  47 15 o 90.701  34.542 1.6904  1.8386 1.6258  2.2660  1.8149  3.1456 93.839  37.572 103.130 43.100 -9.290558      57.17703 
1 1 1 -2  47 16 o 246.121 21.182 13.631  2.1863 10.439  3.3877  15.909  2.8622 199.431 41.464 262.126 26.132 -62.69547      49.01182 
1 1 1 -2  48 1  o 100.496 39.736 1.7632  2.5043 3.3913  3.6646  0.3367  3.4304 125.029 48.468 98.642  43.160 26.38754       64.89955 
1 1 1 -2  48 2  o 159.645 29.417 5.9368  1.9156 -0.3419 3.9310  7.8921  2.1937 99.940  44.823 184.839 28.977 -84.89832      53.37347 
1 1 1 -2  48 3  o 64.468  28.631 -0.3487 1.5630 1.0068  2.5136  -1.2032 1.9957 92.925  38.655 66.340  30.587 26.58485       49.29266 
1 1 1 -2  48 4  o 75.023  30.810 0.6148  1.5692 -3.4681 2.5494  3.1051  1.9910 64.096  30.973 114.230 36.470 -50.13397      47.84698 
1 1 1 -2  48 5  o 95.815  32.052 2.0668  1.5292 1.2288  2.3146  2.7159  2.0372 92.492  37.635 108.466 36.990 -15.97446      52.77027 
1 1 1 -2  48 6  o 86.725  34.296 1.2170  1.8658 1.1341  2.5861  1.3070  2.6945 94.678  39.281 97.498  40.244 -2.819832      56.23721 
1 1 1 -2  48 7  o 115.034 34.245 3.1817  1.7923 3.6279  2.4131  2.6327  2.6768 122.005 40.241 110.728 41.795 11.27680       58.01870 
1 1 1 -2  48 8  o 97.129  34.361 2.0709  1.7658 1.1498  2.4075  3.1432  2.5978 92.438  38.085 116.048 41.610 -23.60949      56.40803 
1 1 1 -2  48 9  o 80.826  32.340 0.9766  1.6775 -2.2155 2.3691  4.1864  2.3757 66.649  31.556 129.266 39.634 -62.61742      50.66198 
1 1 1 -2  48 10 o 89.009  33.191 1.6009  1.6777 3.4884  2.1457  -1.3682 2.6912 118.868 37.850 76.523  35.365 42.34526       51.80082 
1 1 1 -2  48 11 o 98.452  29.415 2.3023  1.3206 6.0247  2.1306  -0.0201 1.6829 157.121 33.066 69.253  30.268 87.86787       44.82760 
1 1 1 -2  48 12 o 206.475 23.399 9.7146  2.0099 7.9796  2.7891  11.589  2.8989 176.833 38.348 219.296 32.171 -42.46336      50.05542 
1 1 1 -2  48 13 o 137.512 31.449 4.6423  1.7916 -0.0001 5.3248  5.2350  1.9025 108.680 50.055 146.115 31.661 -37.43467      59.22787 
1 1 1 -2  48 14 o 246.504 25.099 14.018  2.5836 6.0678  6.1494  15.722  2.8470 141.855 59.828 260.244 26.188 -118.3897      65.30912 
1 1 1 -2  48 15 o 221.984 26.648 11.508  2.4551 11.913  6.2730  11.435  2.6679 181.158 64.691 219.050 29.511 -37.89197      71.10452 
1 1 1 -2  49 1  o 98.656  38.801 1.7754  2.3759 2.9695  3.6103  0.8631  3.1555 119.657 47.584 98.518  42.248 21.13943       63.63272 
1 1 1 -2  49 2  o 68.364  30.754 -0.5700 1.8660 -5.8266 3.9106  0.9796  2.1233 75.463  36.890 87.164  35.823 -11.70151      51.42104 
1 1 1 -2  49 3  o 93.642  35.076 1.7625  1.8779 -3.9530 3.8509  3.5459  2.1510 81.124  38.909 120.422 37.845 -39.29803      54.27879 
1 1 1 -2  49 4  o 119.769 33.741 3.4773  1.7845 6.3325  3.6961  2.6094  2.0378 153.188 49.768 106.456 36.966 46.73265       61.99488 
1 1 1 -2  49 5  o 104.974 35.043 2.5753  1.8279 6.4568  3.5908  1.2176  2.1237 154.698 48.933 89.557  36.191 65.14118       60.86187 
1 1 1 -2  49 6  o 61.871  27.335 -0.2351 1.4068 -5.3768 3.7675  0.5981  1.5165 74.742  36.466 73.494  30.248 1.248917       47.37817 
1 1 1 -2  49 7  o 209.922 22.422 9.9047  1.9625 2.3879  4.5210  11.650  2.1784 119.549 50.899 227.539 22.919 -107.9900      55.82059 
1 1 1 -2  49 8  o 154.000 26.456 5.5165  1.6632 -3.2412 4.7447  6.7434  1.7759 92.937  44.191 171.228 25.249 -78.29092      50.89552 
1 1 1 -2  49 9  o 165.901 24.885 6.3451  1.6944 9.9694  4.5504  5.7617  1.8257 183.120 54.577 155.923 28.706 27.19727       61.66594 
1 1 1 -2  49 10 o 121.862 31.020 3.6349  1.6050 9.0842  4.4660  2.8268  1.7199 172.904 54.558 107.383 33.854 65.52119       64.20848 
1 1 1 -2  49 11 f 178.017 26.883 7.4431  1.9635 7.6003  5.2452  7.4175  2.1175 153.560 58.375 176.050 29.441 -22.48958      65.37901 
1 1 1 -2  49 12 o 116.984 40.172 3.5281  2.4034 0.0000  0.0000  3.5281  2.4034 ?       ?      116.984 40.172 0.000000       40.17240 
1 1 1 -2  49 13 o 147.053 32.687 5.3827  1.9828 7.8485  5.6493  5.0363  2.1175 152.565 59.885 140.252 35.592 12.31320       69.66397 
1 1 1 -2  50 1  o 130.228 33.445 4.1529  1.8541 6.9025  3.8596  3.3279  2.1140 157.213 50.838 116.404 37.623 40.80887       63.24581 
1 1 1 -2  50 2  o 98.298  33.140 2.2321  1.6349 1.9598  2.4860  2.4397  2.1703 100.789 39.673 104.174 37.938 -3.384705      54.89342 
1 1 1 -2  50 3  o 106.925 33.097 2.7497  1.6522 3.4210  2.6662  2.3312  2.1051 118.441 42.187 102.276 37.346 16.16499       56.34252 
1 1 1 -2  50 4  o 134.860 31.024 4.3920  1.7350 3.3020  2.7829  5.0851  2.2190 117.179 42.916 142.357 36.604 -25.17771      56.40600 
1 1 1 -2  50 5  o 276.366 18.118 16.828  2.1087 14.343  3.2420  18.651  2.7763 245.305 31.967 287.669 22.981 -42.36331      39.37049 
1 1 1 -2  50 6  o 196.027 21.231 8.6439  1.7344 12.480  3.0780  6.8593  2.0994 227.462 32.910 169.317 30.395 58.14583       44.79869 
1 1 1 -2  50 7  o 128.284 28.281 3.9418  1.4950 2.4851  2.4391  4.8185  1.8922 105.061 39.838 139.813 32.564 -34.75254      51.45361 
1 1 1 -2  50 8  o 138.416 24.910 4.4767  1.4065 1.8408  2.4745  5.7347  1.7095 97.823  39.228 155.982 26.848 -58.15921      47.53589 
1 1 1 -2  50 9  o 87.359  29.869 1.7486  1.3283 2.8724  2.3998  1.2523  1.5949 108.643 39.844 81.987  31.921 26.65553       51.05370 
1 1 1 -2  50 10 o 74.920  29.624 0.9421  1.3919 0.1122  2.0031  1.7171  1.9356 75.013  32.897 91.291  35.271 -16.27811      48.23135 
1 1 1 -2  50 11 o 176.206 21.385 7.0699  1.5631 8.1427  2.4291  6.3117  2.0421 181.350 32.838 160.334 31.198 21.01686       45.29468 
1 1 1 -2  50 12 o 94.537  32.867 2.1105  1.6111 0.5284  2.4097  3.3894  2.1665 84.013  36.476 114.582 38.146 -30.56840      52.77880 
1 1 1 -2  51 1  o 152.833 30.533 5.6534  1.9070 7.1176  3.9680  5.2136  2.1746 155.330 51.621 143.367 35.898 11.96214       62.87547 
1 1 1 -2  51 2  o 162.286 25.762 6.1451  1.7114 6.4067  2.8140  5.9916  2.1559 154.830 41.897 155.337 33.739 -0.5065765     53.79298 
1 1 1 -2  51 3  o 87.568  34.569 1.4098  1.8926 4.2705  2.5898  -1.8689 2.7725 127.151 41.676 73.835  34.704 53.31575       54.23396 
1 1 1 -2  51 4  o 241.241 19.251 12.977  1.9504 12.946  2.9649  13.000  2.5896 232.182 30.922 236.465 26.306 -4.282532      40.59780 
1 1 1 -2  51 5  o 250.322 19.378 13.991  2.0383 12.514  3.0380  15.200  2.7487 226.480 32.615 256.127 25.688 -29.64766      41.51645 
1 1 1 -2  51 6  o 115.733 31.091 3.3172  1.5562 4.4107  2.5963  2.7041  1.9442 128.089 41.717 104.886 36.125 23.20300       55.18471 
1 1 1 -2  51 7  o 145.026 26.250 4.9847  1.5528 6.4187  2.5718  4.1619  1.9480 155.790 39.055 127.421 35.018 28.36830       52.45552 
1 1 1 -2  51 8  o 86.537  29.441 1.7327  1.2905 0.4876  2.4002  2.2390  1.5305 83.463  36.320 96.310  32.062 -12.84737      48.44746 
1 1 1 -2  51 9  o 55.384  25.420 -0.7044 1.3572 -0.7005 2.3966  -0.7063 1.6468 74.404  34.013 61.543  28.156 12.86122       44.15482 
1 1 1 -2  51 10 o 148.550 27.430 5.2913  1.6620 4.6127  2.4680  5.8544  2.2483 130.448 40.464 150.585 35.784 -20.13722      54.01645 
1 1 1 -2  52 1  o 88.461  35.564 1.4289  2.0394 -0.5797 3.7660  2.2624  2.4259 91.561  42.143 100.838 39.338 -9.276344      57.64993 
1 1 1 -2  52 2  o 82.375  32.383 1.2642  1.6542 1.3272  2.7780  1.2296  2.0590 94.453  40.045 86.424  35.369 8.029160       53.42790 
1 1 1 -2  52 3  o 121.073 41.499 3.9340  2.5642 3.9340  2.5642  0.0000  0.0000 121.073 41.499 ?       ?      0.000000       41.49906 
1 1 1 -2  52 4  f 190.481 23.566 8.3896  1.8604 9.5198  3.0753  7.7372  2.3364 189.738 39.555 176.521 32.450 13.21683       51.16248 
1 1 1 -2  52 5  o 126.244 35.799 4.1480  2.0020 3.1387  2.7776  5.2393  2.8882 111.576 42.464 136.220 43.970 -24.64401      61.12762 
1 1 1 -2  52 6  o 166.364 25.202 6.5082  1.7200 6.7520  2.8826  6.3734  2.1433 155.838 42.503 159.321 32.858 -3.482971      53.72321 
1 1 1 -2  52 7  o 65.743  28.153 0.2512  1.3977 -0.8504 2.2796  0.9149  1.7693 71.405  32.837 79.194  32.641 -7.788353      46.30039 
1 1 1 -2  52 8  o 153.703 27.944 5.6989  1.7519 8.3476  2.6782  3.7179  2.3162 179.682 36.443 118.123 39.446 61.55869       53.70353 
1 1 1 -2  52 9  o 110.773 29.479 3.0374  1.4072 4.4541  2.5764  2.4350  1.6799 127.242 41.562 99.429  33.592 27.81277       53.43988 
1 1 1 -2  53 1  o 250.247 21.123 14.240  2.2176 10.766  3.5580  16.447  2.8359 196.340 43.894 264.920 25.596 -68.57964      50.81133 
1 1 1 -2  53 2  o 67.789  29.775 0.0314  1.6465 -1.5364 2.8167  0.8451  2.0293 74.917  35.138 81.515  34.374 -6.598824      49.15519 
1 1 1 -2  53 3  o 75.835  32.468 0.5068  1.8583 2.1969  2.6751  -1.0694 2.5834 100.720 40.647 74.296  34.446 26.42418       53.27945 
1 1 1 -2  53 4  o 135.427 31.451 4.6084  1.7692 6.0603  2.9935  3.8290  2.1933 144.861 44.502 119.686 38.284 25.17560       58.70345 
1 1 1 -2  53 5  o 138.659 35.128 5.0051  2.0651 4.6449  2.6666  5.5447  3.2644 128.789 42.294 136.746 46.823 -7.956665      63.09657 
1 1 1 -2  53 6  o 189.087 26.858 8.5175  2.0902 12.623  3.0667  4.9558  2.8565 224.577 33.250 131.807 43.797 92.77051       54.98886 
1 1 1 -1  0  1  f 330.813 20.539 23.487  2.8520 46.778  4.0249  0.0000  4.0419 468.215 20.387 79.732  51.456 0.000000       0.000000 
1 1 1 -1  0  2  o 14.670  8.9484 0.0390  0.1050 0.0000  0.0000  0.0390  0.1050 14.670  8.9484 14.670  8.9484 0.000000       0.000000 
1 1 1 -1  0  3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  0  4  f 121.196 35.898 3.8415  1.6025 0.0000  0.0000  3.8415  1.6025 121.196 35.898 121.196 35.898 0.000000       0.000000 
1 1 1 -1  0  5  o 267.781 29.856 15.804  3.2781 0.0000  0.0000  15.804  3.2781 267.781 29.856 267.781 29.856 0.000000       0.000000 
1 1 1 -1  0  6  o 235.404 30.985 12.380  2.9403 0.0000  0.0000  12.380  2.9403 235.404 30.985 235.404 30.985 0.000000       0.000000 
1 1 1 -1  0  7  o 1004.09 23.229 214.384 9.8654 219.133 13.874  209.527 14.031 1013.16 32.410 990.343 33.543 0.000000       0.000000 
1 1 1 -1  0  8  o 234.266 21.220 11.929  2.0655 11.445  2.8860  12.437  2.9575 225.423 32.117 235.922 31.105 0.000000       0.000000 
1 1 1 -1  0  9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  0  10 o 158.204 36.716 6.1144  2.1397 6.1144  2.1397  0.0000  0.0000 158.204 36.716 158.204 36.716 0.000000       0.000000 
1 1 1 -1  0  11 o 233.669 21.750 11.897  2.1094 11.498  2.9425  12.320  3.0255 225.410 32.865 234.025 32.277 0.000000       0.000000 
1 1 1 -1  0  12 o 247.551 21.934 13.331  2.2579 14.139  3.1551  12.482  3.2326 251.999 30.794 234.361 34.835 0.000000       0.000000 
1 1 1 -1  0  13 o 162.943 24.750 6.0243  1.5911 7.1436  2.2053  4.8091  2.2978 174.195 33.464 130.973 45.773 0.000000       0.000000 
1 1 1 -1  0  14 o 288.276 22.110 17.971  2.6627 17.349  3.7611  18.596  3.7702 279.469 32.986 290.247 31.626 0.000000       0.000000 
1 1 1 -1  0  15 o 355.129 21.752 27.079  3.2432 25.888  4.5304  28.332  4.6448 344.353 31.683 360.868 30.915 0.000000       0.000000 
1 1 1 -1  0  16 o 800.721 32.723 137.100 11.054 0.0000  0.0000  137.100 11.054 800.721 32.723 800.721 32.723 0.000000       0.000000 
1 1 1 -1  0  17 o 688.630 32.247 101.451 9.3570 0.0000  0.0000  101.451 9.3570 688.630 32.247 688.630 32.247 0.000000       0.000000 
1 1 1 -1  0  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  0  19 o 779.220 33.053 129.764 10.863 0.0000  0.0000  129.764 10.863 779.220 33.053 779.220 33.053 0.000000       0.000000 
1 1 1 -1  0  20 o 400.196 32.678 34.729  5.4534 0.0000  0.0000  34.729  5.4534 400.196 32.678 400.196 32.678 0.000000       0.000000 
1 1 1 -1  0  21 o 397.202 32.857 34.250  5.4399 0.0000  0.0000  34.250  5.4399 397.202 32.857 397.202 32.857 0.000000       0.000000 
1 1 1 -1  0  22 o 914.370 34.446 178.854 13.295 0.0000  0.0000  178.854 13.295 914.370 34.446 914.370 34.446 0.000000       0.000000 
1 1 1 -1  0  23 o 1051.59 35.548 236.554 15.790 0.0000  0.0000  236.554 15.790 1051.59 35.548 1051.59 35.548 0.000000       0.000000 
1 1 1 -1  0  24 o 621.485 33.295 83.061  8.7056 0.0000  0.0000  83.061  8.7056 621.485 33.295 621.485 33.295 0.000000       0.000000 
1 1 1 -1  0  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  0  26 o 420.332 33.920 38.569  5.9475 0.0000  0.0000  38.569  5.9475 420.332 33.920 420.332 33.920 0.000000       0.000000 
1 1 1 -1  0  27 o 422.607 33.994 39.057  5.9934 0.0000  0.0000  39.057  5.9934 422.607 33.994 422.607 33.994 0.000000       0.000000 
1 1 1 -1  0  28 o 50.182  32.996 -0.2830 1.7756 0.0000  0.0000  -0.2830 1.7756 50.182  32.996 50.182  32.996 0.000000       0.000000 
1 1 1 -1  0  29 o 63.849  38.639 0.8846  1.9245 0.0000  0.0000  0.8846  1.9245 63.849  38.639 63.849  38.639 0.000000       0.000000 
1 1 1 -1  0  30 o 219.554 43.704 11.662  3.6083 0.0000  0.0000  11.662  3.6083 219.554 43.704 219.554 43.704 0.000000       0.000000 
1 1 1 -1  0  31 o 584.714 34.368 75.300  8.4430 0.0000  0.0000  75.300  8.4430 584.714 34.368 584.714 34.368 0.000000       0.000000 
1 1 1 -1  0  32 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  1  1  o 1207.06 22.044 309.996 11.268 401.191 15.857  216.956 16.016 1371.42 27.302 1005.20 37.624 366.2197       46.48661 
1 1 1 -1  1  2  o 139.590 58.017 1.2299  5.6555 0.0000  0.0000  1.2299  5.6555 ?       ?      139.590 58.017 0.000000       58.01676 
1 1 1 -1  1  3  o 27.229  11.084 0.0579  0.2008 0.0000  0.0000  0.0579  0.2008 ?       ?      27.229  11.084 0.000000       11.08352 
1 1 1 -1  1  4  o 265.392 20.504 15.064  2.2866 14.278  3.2487  15.836  3.2190 256.740 30.475 270.934 28.481 -14.19437      41.71204 
1 1 1 -1  1  5  o 489.410 20.899 50.936  4.3316 51.007  6.1615  50.867  6.0907 487.748 29.975 487.139 29.665 0.6089783      42.17252 
1 1 1 -1  1  6  o 419.641 20.754 37.446  3.6882 37.946  5.2522  36.959  5.1805 420.488 29.685 414.961 29.675 5.527283       41.97427 
1 1 1 -1  1  7  o 544.240 17.206 62.900  3.9656 63.542  6.9351  62.588  4.8338 544.561 30.190 542.502 21.040 2.059387       36.79829 
1 1 1 -1  1  8  o 818.293 22.341 142.489 7.7421 141.342 11.042  143.598 10.858 812.865 32.077 819.529 31.285 -6.663879      44.80754 
1 1 1 -1  1  9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  1  10 o 530.366 30.012 60.408  6.7131 0.0000  0.0000  60.408  6.7131 ?       ?      530.366 30.012 0.000000       30.01162 
1 1 1 -1  1  11 o 578.845 17.527 71.264  4.2964 67.361  7.5135  73.159  5.2371 559.055 31.867 585.909 21.107 -26.85394      38.22323 
1 1 1 -1  1  12 o 383.341 17.269 31.276  2.8034 30.911  4.9039  31.453  3.4167 377.779 30.923 383.369 21.127 -5.589417      37.45091 
1 1 1 -1  1  13 o 189.663 18.360 7.7329  1.4562 6.4015  2.5328  8.3903  1.7798 168.782 36.498 197.076 21.683 -28.29424      42.45323 
1 1 1 -1  1  14 o 384.849 17.529 31.512  2.8568 35.677  5.0142  29.510  3.4762 406.748 29.306 371.239 22.213 35.50909       36.77280 
1 1 1 -1  1  15 o 86.290  24.629 1.6263  0.9444 0.2677  1.5951  2.3596  1.1719 74.016  30.791 103.195 26.635 -29.17941      40.71256 
1 1 1 -1  1  16 o 420.024 17.707 37.463  3.1497 35.891  5.5268  38.219  3.8331 408.546 32.205 423.422 21.446 -14.87653      38.69261 
1 1 1 -1  1  17 o 457.802 22.317 44.541  4.3266 46.398  6.1099  42.673  6.1277 465.419 31.179 446.004 32.670 19.41464       45.16034 
1 1 1 -1  1  18 o 786.287 31.793 131.807 10.586 0.0000  0.0000  131.807 10.586 ?       ?      786.287 31.793 0.000000       31.79253 
1 1 1 -1  1  19 o 975.662 19.507 202.118 8.0600 202.044 14.139  202.154 9.8101 972.690 34.324 975.102 23.756 -2.412170      41.74341 
1 1 1 -1  1  20 o 610.847 18.325 79.225  4.7404 65.218  8.2822  86.050  5.7809 551.014 35.684 636.291 21.453 -85.27747      41.63681 
1 1 1 -1  1  21 o 627.971 18.431 83.765  4.9016 80.111  8.6125  85.515  5.9611 611.044 33.409 634.049 22.201 -23.00470      40.11249 
1 1 1 -1  1  22 o 1304.17 26.467 362.733 14.618 350.787 20.675  374.673 20.670 1277.60 38.213 1321.01 36.949 -43.41467      53.15508 
1 1 1 -1  1  23 o 433.806 23.177 40.193  4.2424 38.641  6.0328  41.711  5.9672 423.235 33.944 440.213 32.232 -16.97791      46.80932 
1 1 1 -1  1  24 o 526.796 23.131 59.166  5.1604 61.491  7.3447  56.900  7.2519 534.293 32.617 513.637 33.523 20.65631       46.77209 
1 1 1 -1  1  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  1  26 o 249.084 24.932 13.434  2.5947 14.429  3.6831  12.453  3.6559 255.650 34.933 236.360 37.797 19.28932       51.46804 
1 1 1 -1  1  27 o 231.043 25.711 11.618  2.4730 10.234  3.4737  13.039  3.5216 212.642 40.043 242.219 35.375 -29.57646      53.43049 
1 1 1 -1  1  28 o 198.182 25.818 8.6134  2.1154 8.7151  3.0292  8.5167  2.9556 195.787 37.904 193.652 37.393 2.134857       53.24424 
1 1 1 -1  1  29 o 215.974 26.311 10.269  2.3568 13.189  3.3489  7.4036  3.3173 242.551 33.497 177.283 44.307 65.26733       55.54428 
1 1 1 -1  1  30 o 297.869 24.795 19.393  3.0993 25.942  4.4573  13.262  4.3125 341.914 31.124 237.569 44.500 104.3455       54.30394 
1 1 1 -1  1  31 o 170.788 29.197 6.6021  2.0359 7.9373  2.8157  5.1393  2.9472 184.329 37.349 146.921 43.953 37.40845       57.67869 
1 1 1 -1  1  32 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  2  1  o 944.893 18.910 189.722 7.5669 181.638 10.642  197.990 10.762 922.793 27.231 963.653 26.370 -40.86047      37.90666 
1 1 1 -1  2  2  o 922.455 10.740 180.385 4.1956 180.573 5.1334  180.007 7.2814 922.673 13.138 920.423 18.680 2.250122       22.83756 
1 1 1 -1  2  3  o 1014.21 13.376 218.191 5.7450 218.544 7.2162  217.580 9.4939 1014.51 16.796 1011.22 22.169 3.286621       27.81347 
1 1 1 -1  2  4  o 466.594 19.906 46.280  3.9334 46.222  5.5155  46.340  5.6111 464.559 28.168 465.070 28.628 -0.5118408     40.16245 
1 1 1 -1  2  5  o 619.572 21.156 81.642  5.5509 88.652  7.8053  74.468  7.8959 644.450 28.599 589.273 31.758 55.17670       42.73734 
1 1 1 -1  2  6  o 538.806 21.132 61.742  4.8220 61.160  6.8106  62.328  6.8281 534.208 30.229 539.341 30.013 -5.132568      42.59771 
1 1 1 -1  2  7  o 732.208 21.982 114.060 6.8161 117.117 9.6614  111.031 9.6176 740.273 30.818 720.630 31.515 19.64221       44.07863 
1 1 1 -1  2  8  o 392.850 30.099 33.163  4.9695 33.163  4.9695  0.0000  0.0000 392.850 30.099 ?       ?      0.000000       30.09926 
1 1 1 -1  2  9  o 563.683 30.742 68.173  7.3107 68.173  7.3107  0.0000  0.0000 563.683 30.742 ?       ?      0.000000       30.74159 
1 1 1 -1  2  10 o 680.349 30.913 99.177  8.9067 0.0000  0.0000  99.177  8.9067 ?       ?      680.349 30.913 0.000000       30.91287 
1 1 1 -1  2  11 o 514.104 17.397 56.213  3.7877 57.254  6.6441  55.711  4.6102 515.610 30.564 511.244 21.294 4.366394       37.25015 
1 1 1 -1  2  12 o 537.209 17.542 61.433  3.9908 64.756  7.0096  59.839  4.8544 547.876 30.329 529.463 21.650 18.41333       37.26378 
1 1 1 -1  2  13 o 198.047 18.299 8.4244  1.5174 9.2427  2.6425  8.0218  1.8535 204.893 31.459 192.367 23.222 12.52589       39.10162 
1 1 1 -1  2  14 o 531.974 17.686 60.213  3.9843 66.727  7.0104  57.105  4.8424 556.775 29.840 517.364 22.102 39.41180       37.13392 
1 1 1 -1  2  15 o 343.245 17.698 25.107  2.5639 25.061  4.4824  25.129  3.1257 340.621 31.428 342.861 21.638 -2.239471      38.15703 
1 1 1 -1  2  16 o 770.951 18.533 126.245 6.0510 120.578 10.601  128.984 7.3694 750.854 33.338 778.721 22.346 -27.86755      40.13486 
1 1 1 -1  2  17 o 964.823 34.031 198.781 13.905 198.781 13.905  0.0000  0.0000 964.823 34.031 ?       ?      0.000000       34.03106 
1 1 1 -1  2  18 o 568.138 22.042 68.573  5.3033 0.0000  0.0000  68.573  5.3033 ?       ?      568.138 22.042 0.000000       22.04171 
1 1 1 -1  2  19 o 515.994 18.075 56.511  3.9498 54.078  6.9113  57.691  4.8133 502.386 32.662 521.071 21.812 -18.68515      39.27581 
1 1 1 -1  2  20 f 528.326 18.266 59.265  4.0868 58.938  7.1518  59.424  4.9800 524.366 32.364 528.688 22.242 -4.321838      39.27057 
1 1 1 -1  2  21 o 716.178 18.729 108.962 5.6805 107.862 9.9379  109.496 6.9229 710.107 33.047 717.369 22.788 -7.261475      40.14176 
1 1 1 -1  2  22 o 1489.99 22.470 472.525 14.179 441.716 24.754  487.569 17.297 1432.14 40.814 1511.79 27.017 -79.65125      48.94630 
1 1 1 -1  2  23 o 424.236 18.412 38.250  3.3078 44.805  5.8801  35.215  4.0010 456.684 30.580 405.941 23.372 50.74341       38.48891 
1 1 1 -1  2  24 o 897.249 24.257 171.765 9.2172 163.461 13.016  180.119 13.055 871.633 35.260 915.610 33.667 -43.97693      48.75233 
1 1 1 -1  2  25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  2  26 o 443.499 23.234 42.228  4.3486 43.567  6.1799  40.914  6.1201 447.479 32.840 433.291 33.616 14.18716       46.99511 
1 1 1 -1  2  27 o 192.506 39.694 8.4181  3.1285 0.0000  0.0000  8.4181  3.1285 ?       ?      192.506 39.694 0.000000       39.69401 
1 1 1 -1  2  28 o 296.127 24.967 19.038  3.1018 19.593  4.3678  18.473  4.4056 296.839 35.447 287.495 37.047 9.343872       51.27335 
1 1 1 -1  2  29 o 96.175  32.020 1.9479  1.5265 3.7951  2.0610  -0.2969 2.2720 128.820 36.251 80.516  35.180 48.30364       50.51489 
1 1 1 -1  2  30 o 335.950 24.414 24.616  3.4497 19.463  4.8194  30.029  4.9400 291.315 40.130 367.509 32.062 -76.19415      51.36526 
1 1 1 -1  2  31 o 156.463 30.478 5.5939  1.9469 5.0438  2.7800  6.1233  2.7273 145.674 42.460 160.518 40.206 -14.84341      58.47542 
1 1 1 -1  2  32 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  3  1  o 755.034 13.446 120.928 4.2995 115.496 7.3859  123.712 5.2877 736.495 23.680 763.348 16.357 -26.85297      28.78040 
1 1 1 -1  3  2  o 511.563 9.4537 55.462  2.0481 55.052  2.8984  55.871  2.8944 509.438 13.435 513.222 13.317 -3.784515      18.91649 
1 1 1 -1  3  3  o 526.277 10.598 58.712  2.3621 57.832  3.3185  59.616  3.3630 522.025 15.011 530.018 14.983 -7.993286      21.20884 
1 1 1 -1  3  4  o 909.029 20.262 175.685 7.8001 175.702 10.875  175.667 11.193 907.325 28.303 907.019 29.141 0.3054810      40.62355 
1 1 1 -1  3  5  o 431.102 19.606 39.502  3.5795 39.801  4.9931  39.186  5.1341 431.086 27.494 427.544 28.519 3.541748       39.61379 
1 1 1 -1  3  6  f 470.563 20.416 47.079  4.0685 48.491  5.7082  45.622  5.8004 475.818 28.458 461.211 29.857 14.60657       41.24729 
1 1 1 -1  3  7  o 873.219 22.480 162.258 8.3131 155.733 11.677  168.964 11.837 853.240 32.316 888.987 31.443 -35.74670      45.08862 
1 1 1 -1  3  8  o 154.916 31.353 5.3136  1.9863 5.3136  1.9863  0.0000  0.0000 154.916 31.353 ?       ?      0.000000       31.35262 
1 1 1 -1  3  9  o 610.837 30.756 80.032  7.9306 80.032  7.9306  0.0000  0.0000 610.837 30.756 ?       ?      0.000000       30.75587 
1 1 1 -1  3  10 o 522.315 30.426 58.633  6.7008 0.0000  0.0000  58.633  6.7008 ?       ?      522.315 30.426 0.000000       30.42551 
1 1 1 -1  3  11 o 187.429 22.283 7.5967  1.7341 6.5597  2.4486  8.6400  2.4561 171.480 34.905 198.502 30.166 -27.02222      46.13420 
1 1 1 -1  3  12 o 573.676 17.643 70.063  4.2863 67.570  7.4951  71.275  5.2251 559.157 31.783 577.894 21.350 -18.73706      38.28846 
1 1 1 -1  3  13 o 365.742 17.412 28.476  2.6969 29.408  4.7230  28.025  3.2852 368.455 30.544 361.698 21.545 6.757507       37.37778 
1 1 1 -1  3  14 o 675.174 18.046 97.006  5.1599 102.244 9.0542  94.486  6.2795 689.848 30.992 665.486 22.281 24.36224       38.17026 
1 1 1 -1  3  15 o 587.837 17.841 73.444  4.4415 71.861  7.7714  74.212  5.4125 578.258 31.857 590.380 21.648 -12.12213      38.51674 
1 1 1 -1  3  16 o 599.832 18.005 76.406  4.5737 77.607  8.0021  75.823  5.5739 601.939 31.500 597.110 22.042 4.828857       38.44670 
1 1 1 -1  3  17 f 758.302 32.575 122.697 10.461 122.697 10.461  0.0000  0.0000 758.302 32.575 ?       ?      0.000000       32.57531 
1 1 1 -1  3  18 o 544.987 22.023 63.099  5.0827 0.0000  0.0000  63.099  5.0827 ?       ?      544.987 22.023 0.000000       22.02253 
1 1 1 -1  3  19 o 257.773 18.782 14.180  2.0363 19.587  3.5475  11.524  2.4867 301.994 28.059 231.309 25.827 70.68469       38.13568 
1 1 1 -1  3  20 o 1146.89 20.374 279.473 9.8956 279.304 17.312  279.555 12.060 1142.48 35.782 1146.10 24.847 -3.619629      43.56291 
1 1 1 -1  3  21 o 898.892 19.311 171.692 7.3512 168.164 12.884  173.395 8.9513 886.271 34.326 902.597 23.418 -16.32599      41.55369 
1 1 1 -1  3  22 o 1078.75 20.198 247.444 9.2272 243.494 16.146  249.360 11.244 1065.34 35.787 1081.84 24.543 -16.49475      43.39405 
1 1 1 -1  3  23 o 1141.37 20.513 277.116 9.9149 279.368 17.379  276.029 12.072 1140.57 35.979 1137.84 25.053 2.729614       43.84276 
1 1 1 -1  3  24 o 593.507 23.493 75.126  5.9048 69.725  8.2627  80.764  8.4415 568.431 34.487 612.493 32.662 -44.06152      47.49952 
1 1 1 -1  3  25 o 538.068 22.678 61.839  5.1676 0.0000  0.0000  61.839  5.1676 ?       ?      538.068 22.678 0.000000       22.67797 
1 1 1 -1  3  26 o 484.905 18.608 50.150  3.8211 50.413  6.7157  50.024  4.6466 481.354 33.147 483.446 22.696 -2.091827      40.17206 
1 1 1 -1  3  27 o 315.475 35.265 21.955  4.6308 0.0000  0.0000  21.955  4.6308 ?       ?      315.475 35.265 0.000000       35.26519 
1 1 1 -1  3  28 o 375.664 33.931 31.138  5.3398 31.138  5.3398  0.0000  0.0000 375.664 33.931 ?       ?      0.000000       33.93089 
1 1 1 -1  3  29 o 227.253 25.901 11.345  2.4482 14.203  3.4983  8.6021  3.4272 251.728 33.659 191.523 43.274 60.20480       54.82311 
1 1 1 -1  3  30 o 178.003 29.049 7.1076  2.1142 6.0359  2.8783  8.3634  3.1157 160.043 41.955 189.300 40.112 -29.25728      58.04508 
1 1 1 -1  3  31 o 338.122 24.777 25.098  3.5231 27.302  5.0006  22.927  4.9645 347.149 34.470 315.772 37.881 31.37772       51.21630 
1 1 1 -1  3  32 o 252.102 38.440 14.787  3.9741 0.0000  0.0000  14.787  3.9741 ?       ?      252.102 38.440 0.000000       38.44003 
1 1 1 -1  4  1  o 545.057 10.293 62.973  2.3758 65.225  3.3723  60.754  3.3477 554.440 14.363 535.070 14.774 19.36957       20.60438 
1 1 1 -1  4  2  o 407.588 9.1331 35.206  1.5765 35.420  2.2346  34.994  2.2243 408.656 12.912 406.189 12.931 2.466797       18.27377 
1 1 1 -1  4  3  o 268.072 9.4277 15.230  1.0703 15.181  1.5036  15.281  1.5238 267.523 13.272 268.395 13.406 -0.8722229     18.86465 
1 1 1 -1  4  4  f 496.881 13.356 52.371  2.8104 51.086  5.0500  52.947  3.3826 489.746 24.349 499.415 15.993 -9.669434      29.13177 
1 1 1 -1  4  5  o 823.048 20.121 144.013 7.0131 144.165 9.7519  143.851 10.093 821.941 28.016 820.810 29.036 1.131470       40.34790 
1 1 1 -1  4  6  o 292.021 19.369 18.202  2.3817 17.844  3.3061  18.589  3.4340 287.947 27.444 293.872 27.928 -5.925507      39.15572 
1 1 1 -1  4  7  o 921.929 22.331 180.855 8.7186 179.078 12.241  182.684 12.420 915.160 31.586 924.289 31.731 -9.128906      44.77176 
1 1 1 -1  4  8  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  4  9  o 630.268 30.215 84.981  8.0648 84.981  8.0648  0.0000  0.0000 630.268 30.215 ?       ?      0.000000       30.21518 
1 1 1 -1  4  10 f 597.950 30.917 76.839  7.8023 0.0000  0.0000  76.839  7.8023 ?       ?      597.950 30.917 0.000000       30.91728 
1 1 1 -1  4  11 o 435.467 21.184 40.428  3.9068 40.085  5.5065  40.775  5.5437 431.061 30.358 434.785 30.297 -3.724274      42.88983 
1 1 1 -1  4  12 o 283.079 21.570 17.203  2.5664 17.775  3.6122  16.620  3.6470 285.922 30.293 276.008 31.781 9.913391       43.90607 
1 1 1 -1  4  13 o 203.051 22.430 8.9112  1.8965 9.1440  2.6827  8.6787  2.6815 203.625 32.179 198.035 33.145 5.589996       46.19625 
1 1 1 -1  4  14 o 409.155 21.651 35.794  3.7382 28.563  5.3055  42.923  5.2679 362.379 35.008 446.776 27.984 -84.39703      44.81775 
1 1 1 -1  4  15 o 229.073 18.296 11.224  1.7601 13.265  3.0505  10.206  2.1550 247.315 29.721 217.567 23.775 29.74800       38.06038 
1 1 1 -1  4  16 o 637.827 18.068 86.390  4.8805 82.809  8.5134  88.143  5.9564 621.672 32.449 643.840 21.845 -22.16754      39.11747 
1 1 1 -1  4  17 o 496.638 31.431 52.804  6.5764 52.804  6.5764  0.0000  0.0000 496.638 31.431 ?       ?      0.000000       31.43064 
1 1 1 -1  4  18 o 837.216 23.060 148.961 8.1761 0.0000  0.0000  148.961 8.1761 ?       ?      837.216 23.060 0.000000       23.06033 
1 1 1 -1  4  19 o 935.073 19.340 185.654 7.6584 182.358 13.372  187.262 9.3422 924.039 34.173 938.499 23.506 -14.45996      41.47625 
1 1 1 -1  4  20 o 1101.44 20.192 257.756 9.4186 242.333 16.397  265.352 11.506 1063.93 36.391 1116.69 24.331 -52.76367      43.77572 
1 1 1 -1  4  21 o 687.855 18.686 100.518 5.4432 82.311  9.4212  109.641 6.6689 618.647 36.117 717.944 21.934 -99.29657      42.25559 
1 1 1 -1  4  22 o 549.292 18.400 64.112  4.2801 62.328  7.4928  64.977  5.2146 538.532 33.013 552.530 22.286 -13.99866      39.83125 
1 1 1 -1  4  23 f 813.301 19.127 140.628 6.5880 144.280 11.522  138.853 8.0301 820.488 33.159 807.329 23.487 13.15936       40.63476 
1 1 1 -1  4  24 o 534.733 32.812 61.635  7.3944 61.635  7.3944  0.0000  0.0000 534.733 32.812 ?       ?      0.000000       32.81150 
1 1 1 -1  4  25 o 578.236 22.840 71.436  5.5931 0.0000  0.0000  71.436  5.5931 ?       ?      578.236 22.840 0.000000       22.84049 
1 1 1 -1  4  26 o 305.865 19.409 20.046  2.5010 18.258  4.2111  21.021  3.1086 287.884 35.280 312.359 23.676 -24.47543      42.48764 
1 1 1 -1  4  27 o 768.183 23.531 126.656 7.6549 0.0000  0.0000  126.656 7.6549 ?       ?      768.183 23.531 0.000000       23.53062 
1 1 1 -1  4  28 o 189.723 26.858 7.9321  2.0976 8.8527  2.9972  7.0484  2.9367 197.464 37.206 174.888 40.455 22.57579       54.96280 
1 1 1 -1  4  29 o 386.152 18.926 32.004  3.0949 31.136  5.4065  32.428  3.7746 373.695 34.554 386.762 23.152 -13.06732      41.59311 
1 1 1 -1  4  30 o 95.524  28.127 2.0351  1.2145 -0.3001 2.1951  3.0654  1.4580 78.838  34.510 115.982 29.588 -37.14429      45.45742 
1 1 1 -1  4  31 o 452.122 34.268 46.149  6.5125 46.149  6.5125  0.0000  0.0000 452.122 34.268 ?       ?      0.000000       34.26804 
1 1 1 -1  4  32 o 206.026 41.153 10.086  3.4649 0.0000  0.0000  10.086  3.4649 ?       ?      206.026 41.153 0.000000       41.15276 
1 1 1 -1  5  1  o 298.014 9.2985 18.822  1.1735 18.136  1.6550  19.515  1.6643 292.398 13.366 303.333 12.956 -10.93417      18.61413 
1 1 1 -1  5  2  o 412.352 10.591 36.044  1.8496 36.358  3.2172  35.889  2.2605 413.678 18.364 411.350 12.976 2.327789       22.48593 
1 1 1 -1  5  3  o 357.265 9.3331 27.050  1.4121 26.826  1.9881  27.279  2.0060 355.625 13.201 358.615 13.209 -2.989899      18.67432 
1 1 1 -1  5  4  o 506.604 11.004 54.409  2.3608 55.010  3.3535  53.820  3.3240 509.086 15.555 503.545 15.588 5.540283       22.02112 
1 1 1 -1  5  5  o 481.195 17.630 49.181  3.5927 49.793  5.0021  48.528  5.1635 482.875 24.542 476.490 25.684 6.385345       35.52387 
1 1 1 -1  5  6  o 397.669 18.509 33.599  3.1170 35.772  4.3082  31.212  4.5154 409.008 24.992 381.425 28.153 27.58273       37.64597 
1 1 1 -1  5  7  o 441.145 19.541 41.362  3.6507 42.866  5.0693  39.742  5.2619 447.562 26.870 430.494 29.032 17.06870       39.55826 
1 1 1 -1  5  8  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  5  9  o 503.503 29.253 54.390  6.2107 54.390  6.2107  0.0000  0.0000 503.503 29.253 ?       ?      0.000000       29.25312 
1 1 1 -1  5  10 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  5  11 o 385.819 21.056 31.831  3.4274 30.140  4.7962  33.597  4.8997 373.350 30.604 394.578 29.536 -21.22723      42.53196 
1 1 1 -1  5  12 o 455.414 21.254 44.267  4.0991 47.462  5.7538  40.974  5.8411 469.083 29.108 434.885 31.939 34.19766       43.21341 
1 1 1 -1  5  13 o 436.787 21.393 40.717  3.9572 38.359  5.5499  43.156  5.6440 420.955 31.357 447.032 29.987 -26.07684      43.38731 
1 1 1 -1  5  14 o 558.984 21.829 66.624  5.1674 64.443  7.2579  68.866  7.3588 546.856 31.473 565.560 30.841 -18.70349      44.06462 
1 1 1 -1  5  15 o 618.929 22.040 81.556  5.7769 83.615  8.1619  79.490  8.1777 625.071 30.833 608.442 31.848 16.62836       44.32806 
1 1 1 -1  5  16 o 163.399 20.023 5.7571  1.3566 5.8112  2.3072  5.7285  1.6771 161.797 34.712 162.146 25.245 -0.3489685     42.92175 
1 1 1 -1  5  17 f 763.094 32.270 124.217 10.429 124.217 10.429  0.0000  0.0000 763.094 32.270 ?       ?      0.000000       32.27029 
1 1 1 -1  5  18 o 405.044 21.940 34.956  3.7493 0.0000  0.0000  34.956  3.7493 ?       ?      405.044 21.940 0.000000       21.93966 
1 1 1 -1  5  19 o 577.095 18.194 70.694  4.4465 65.265  7.6910  73.419  5.4495 551.966 33.054 587.789 21.892 -35.82251      39.64676 
1 1 1 -1  5  20 o 1217.09 20.758 314.806 10.699 300.465 18.583  321.919 13.086 1184.35 37.049 1229.73 25.128 -45.37610      44.76702 
1 1 1 -1  5  21 o 644.553 18.487 88.258  5.0462 89.893  8.8148  87.460  6.1544 648.366 32.103 641.108 22.668 7.257996       39.29942 
1 1 1 -1  5  22 o 958.208 19.638 195.200 7.9691 185.911 13.874  199.773 9.7352 931.011 35.190 968.473 23.736 -37.46204      42.44664 
1 1 1 -1  5  23 o 974.024 19.749 201.764 8.1463 210.236 14.238  197.640 9.9328 990.069 33.957 962.930 24.357 27.13904       41.78947 
1 1 1 -1  5  24 o 690.105 32.963 102.332 9.6335 102.332 9.6335  0.0000  0.0000 690.105 32.963 ?       ?      0.000000       32.96307 
1 1 1 -1  5  25 o 622.022 23.014 82.690  6.0623 0.0000  0.0000  82.690  6.0623 ?       ?      622.022 23.014 0.000000       23.01368 
1 1 1 -1  5  26 o 541.134 18.730 62.473  4.2923 59.960  7.4226  63.736  5.2612 524.806 33.573 545.598 22.770 -20.79169      40.56673 
1 1 1 -1  5  27 f 583.485 23.137 73.052  5.7173 0.0000  0.0000  73.052  5.7173 ?       ?      583.485 23.137 0.000000       23.13749 
1 1 1 -1  5  28 o 75.884  28.364 0.9605  1.2267 -0.2747 1.7132  2.2602  1.7573 70.049  30.579 103.561 34.350 -33.51174      45.98930 
1 1 1 -1  5  29 o 218.447 20.793 10.360  1.9004 11.736  3.2120  9.6187  2.3572 228.145 34.306 208.539 27.351 19.60606       43.87470 
1 1 1 -1  5  30 o 184.807 22.082 7.4822  1.6940 5.9565  2.8924  8.2787  2.0900 158.819 42.262 193.274 26.210 -34.45464      49.73008 
1 1 1 -1  5  31 o 430.727 34.305 41.934  6.2057 41.934  6.2057  0.0000  0.0000 430.727 34.305 ?       ?      0.000000       34.30523 
1 1 1 -1  5  32 o 182.108 27.544 7.4559  2.0579 0.0000  0.0000  7.4559  2.0579 ?       ?      182.108 27.544 0.000000       27.54378 
1 1 1 -1  6  1  o 375.525 9.3433 29.886  1.4859 30.906  2.1045  28.872  2.0982 381.722 13.018 368.930 13.430 12.79181       18.70390 
1 1 1 -1  6  2  o 355.293 9.0703 26.751  1.3647 27.596  1.9381  25.920  1.9221 360.720 12.687 349.578 12.983 11.14252       18.15291 
1 1 1 -1  6  3  o 205.656 9.0337 8.9630  0.7868 8.8705  1.1058  9.0578  1.1197 204.104 12.859 206.254 12.883 -2.149979      18.20240 
1 1 1 -1  6  4  o 496.287 10.618 52.212  2.2317 50.469  3.1401  53.990  3.1722 487.647 15.205 504.397 14.851 -16.74945      21.25425 
1 1 1 -1  6  5  o 394.956 13.156 33.087  2.2004 32.972  3.9158  33.140  2.6601 392.819 23.649 395.116 15.898 -2.296753      28.49570 
1 1 1 -1  6  6  o 828.719 19.632 145.977 6.8901 146.566 9.5695  145.342 9.9284 828.928 27.260 825.200 28.410 3.727905       39.37354 
1 1 1 -1  6  7  o 560.457 19.227 66.757  4.5635 68.426  6.3024  64.917  6.6167 566.521 26.269 550.757 28.466 15.76385       38.73471 
1 1 1 -1  6  8  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  6  9  o 490.546 20.196 51.202  4.1955 49.534  5.8490  52.969  6.0213 480.435 28.882 496.903 28.737 -16.46817      40.74265 
1 1 1 -1  6  10 o 210.234 30.943 9.6762  2.6725 0.0000  0.0000  9.6762  2.6725 ?       ?      210.234 30.943 0.000000       30.94284 
1 1 1 -1  6  11 o 628.176 21.442 84.182  5.7040 88.712  7.9883  79.471  8.1475 642.768 29.347 606.847 31.814 35.92114       43.28203 
1 1 1 -1  6  12 o 342.880 21.070 25.184  3.0447 23.174  4.2551  27.292  4.3584 326.601 31.142 355.164 29.237 -28.56351      42.71545 
1 1 1 -1  6  13 o 567.849 21.570 68.820  5.1870 68.108  7.2621  69.561  7.4113 561.867 30.636 567.739 30.942 -5.872009      43.54250 
1 1 1 -1  6  14 o 882.639 23.023 166.203 8.6059 168.415 12.079  163.923 12.264 885.327 32.218 873.060 33.169 12.26703       46.24064 
1 1 1 -1  6  15 o 558.477 21.885 66.386  5.1760 63.513  7.2348  69.399  7.4082 543.856 31.548 568.743 30.873 -24.88708      44.14078 
1 1 1 -1  6  16 o 766.881 31.919 125.592 10.366 125.592 10.366  0.0000  0.0000 766.881 31.919 ?       ?      0.000000       31.91912 
1 1 1 -1  6  17 o 386.755 17.858 31.744  2.9249 34.404  5.0331  30.389  3.5942 400.725 29.873 377.481 22.587 23.24353       37.45088 
1 1 1 -1  6  18 o 1107.50 24.524 260.806 11.502 0.0000  0.0000  260.806 11.502 ?       ?      1107.50 24.524 0.000000       24.52424 
1 1 1 -1  6  19 o 263.432 18.688 14.807  2.0714 18.087  3.5741  13.148  2.5418 289.837 29.531 247.416 24.584 42.42075       38.42491 
1 1 1 -1  6  20 o 986.361 19.560 206.688 8.1703 205.721 14.171  207.169 9.9996 980.767 34.119 986.703 23.930 -5.935913      41.67450 
1 1 1 -1  6  21 o 755.906 18.769 121.404 6.0082 113.597 10.396  125.319 7.3622 728.439 33.699 767.401 22.654 -38.96130      40.60612 
1 1 1 -1  6  22 o 592.087 18.516 74.499  4.6426 75.547  7.9967  73.966  5.7020 593.299 31.945 589.413 22.844 3.886292       39.27197 
1 1 1 -1  6  23 o 305.157 19.129 19.877  2.4595 17.901  4.1711  20.929  3.0453 286.721 35.083 312.599 23.169 -25.87741      42.04297 
1 1 1 -1  6  24 o 304.449 33.937 20.175  4.3011 20.175  4.3011  0.0000  0.0000 304.449 33.937 ?       ?      0.000000       33.93726 
1 1 1 -1  6  25 o 319.733 23.914 21.987  3.2146 0.0000  0.0000  21.987  3.2146 ?       ?      319.733 23.914 0.000000       23.91426 
1 1 1 -1  6  26 o 382.656 18.813 31.246  3.0486 30.114  5.2500  31.821  3.7447 371.091 33.776 384.751 23.089 -13.65964      40.91386 
1 1 1 -1  6  27 f 329.361 23.979 23.422  3.3217 0.0000  0.0000  23.422  3.3217 ?       ?      329.361 23.979 0.000000       23.97903 
1 1 1 -1  6  28 o 241.510 24.200 12.699  2.4418 13.295  3.4538  12.103  3.4527 243.908 34.392 231.820 36.366 12.08890       50.05244 
1 1 1 -1  6  29 o 461.201 18.892 45.663  3.6900 42.114  6.3519  47.471  4.5333 434.687 34.797 468.768 22.836 -34.08151      41.62066 
1 1 1 -1  6  30 o 236.309 20.714 12.135  2.0521 14.702  3.4392  10.715  2.5572 255.872 32.469 219.549 28.152 36.32272       42.97414 
1 1 1 -1  6  31 o 383.794 33.855 33.302  5.4462 33.302  5.4462  0.0000  0.0000 383.794 33.855 ?       ?      0.000000       33.85549 
1 1 1 -1  6  32 o 171.806 28.898 6.6896  2.0279 0.0000  0.0000  6.6896  2.0279 ?       ?      171.806 28.898 0.000000       28.89754 
1 1 1 -1  7  1  o 1330.40 14.083 375.528 7.9347 372.133 11.229  378.914 11.213 1323.03 20.042 1335.08 19.832 -12.05725      28.19607 
1 1 1 -1  7  2  o 834.352 11.003 147.584 3.8877 150.538 5.5085  144.653 5.4876 842.165 15.445 825.506 15.697 16.65924       22.02166 
1 1 1 -1  7  3  o 791.465 10.874 132.798 3.6447 132.625 5.1331  132.974 5.1758 790.487 15.334 791.513 15.441 -1.026062      21.76112 
1 1 1 -1  7  4  o 923.936 12.176 181.026 4.7643 180.159 6.6772  181.925 6.8000 921.055 17.118 925.522 17.349 -4.467468      24.37289 
1 1 1 -1  7  5  o 414.235 13.010 36.395  2.2823 36.467  2.7293  36.227  4.1617 414.496 15.548 411.763 23.970 2.732300       28.57091 
1 1 1 -1  7  6  o 679.273 18.387 98.030  5.2893 101.068 7.3970  94.851  7.5663 688.678 25.363 666.917 26.790 21.76105       36.89101 
1 1 1 -1  7  7  o 477.559 25.370 48.744  5.1125 48.744  5.1125  0.0000  0.0000 477.559 25.370 ?       ?      0.000000       25.37008 
1 1 1 -1  7  8  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  7  9  f 373.911 28.592 30.073  4.4931 0.0000  0.0000  30.073  4.4931 ?       ?      373.911 28.592 0.000000       28.59155 
1 1 1 -1  7  10 o 201.459 20.516 8.7336  1.7259 8.3840  2.4020  9.1068  2.4817 195.566 29.956 204.072 29.578 -8.506271      42.09804 
1 1 1 -1  7  11 o 611.177 21.077 79.696  5.4553 75.750  7.6171  83.851  7.8167 592.688 30.450 624.639 29.550 -31.95117      42.43095 
1 1 1 -1  7  12 o 367.999 20.836 28.991  3.2338 28.054  4.5005  29.991  4.6497 359.935 29.793 372.244 29.744 -12.30951      42.09897 
1 1 1 -1  7  13 o 461.411 21.262 45.423  4.1548 44.798  5.7564  46.102  6.0028 455.590 30.003 461.948 30.862 -6.358154      43.04244 
1 1 1 -1  7  14 o 517.812 21.411 57.133  4.6952 54.696  6.5538  59.702  6.7298 504.048 30.851 526.841 30.291 -22.79230      43.23566 
1 1 1 -1  7  15 o 575.836 21.815 70.562  5.3197 69.341  7.4143  71.857  7.6371 568.599 30.907 578.765 31.275 -10.16534      43.96995 
1 1 1 -1  7  16 o 545.244 30.622 63.627  7.0422 63.627  7.0422  0.0000  0.0000 545.244 30.622 ?       ?      0.000000       30.62228 
1 1 1 -1  7  17 o 302.223 22.322 19.514  2.8367 20.022  4.0391  19.018  3.9850 304.802 31.757 296.904 32.210 7.897827       45.23267 
1 1 1 -1  7  18 o 1241.55 36.130 329.403 18.997 0.0000  0.0000  329.403 18.997 ?       ?      1241.55 36.130 0.000000       36.13002 
1 1 1 -1  7  19 o 788.691 18.709 132.068 6.2488 135.574 10.815  130.311 7.6561 797.024 32.042 782.877 23.092 14.14734       39.49602 
1 1 1 -1  7  20 o 906.506 19.208 174.566 7.3741 165.213 12.736  179.283 9.0441 878.806 34.222 917.979 23.264 -39.17316      41.38111 
1 1 1 -1  7  21 o 825.228 18.964 144.711 6.6275 159.736 11.515  137.267 8.1044 864.339 31.458 802.902 23.835 61.43756       39.46798 
1 1 1 -1  7  22 o 530.522 18.351 59.810  4.1230 58.463  7.0766  60.502  5.0730 521.626 32.192 533.109 22.470 -11.48248      39.25861 
1 1 1 -1  7  23 o 577.165 18.452 70.814  4.5100 72.491  7.7738  69.963  5.5371 580.903 31.720 573.093 22.815 7.809875       39.07258 
1 1 1 -1  7  24 f 403.910 32.515 35.284  5.5147 35.284  5.5147  0.0000  0.0000 403.910 32.515 ?       ?      0.000000       32.51542 
1 1 1 -1  7  25 o 164.140 30.232 5.9759  2.0241 0.0000  0.0000  5.9759  2.0241 ?       ?      164.140 30.232 0.000000       30.23238 
1 1 1 -1  7  26 o 439.330 18.732 41.189  3.4852 43.920  5.9702  39.777  4.2926 449.431 31.568 430.117 23.657 19.31372       39.44839 
1 1 1 -1  7  27 o 139.142 25.184 4.2890  1.4294 5.1570  2.3198  3.7579  1.8148 150.565 36.713 128.990 33.067 21.57481       49.40906 
1 1 1 -1  7  28 o 197.800 25.962 8.6008  2.1222 12.106  3.0618  5.3595  2.9442 233.359 31.810 152.298 43.492 81.06195       53.88354 
1 1 1 -1  7  29 f 274.642 20.431 16.318  2.3593 9.8094  3.9430  19.947  2.9446 203.136 46.798 302.940 23.127 -99.80412      52.20052 
1 1 1 -1  7  30 o 267.474 20.602 15.525  2.3157 18.079  3.9359  14.173  2.8637 283.473 33.429 253.243 27.124 30.23055       43.04944 
1 1 1 -1  7  31 o 97.256  35.693 1.8181  1.9263 1.8181  1.9263  0.0000  0.0000 97.256  35.693 ?       ?      0.000000       35.69281 
1 1 1 -1  8  1  o 655.850 11.780 91.207  3.2718 89.301  4.0279  94.905  5.6095 648.711 14.662 668.161 19.824 -19.45001      24.65702 
1 1 1 -1  8  2  o 597.891 11.469 75.794  2.9040 77.955  3.5652  71.532  5.0058 606.170 13.888 580.012 20.379 26.15826       24.66173 
1 1 1 -1  8  3  o 518.114 11.201 56.913  2.4576 55.933  2.9831  58.984  4.3357 513.472 13.719 526.787 19.435 -13.31567      23.78885 
1 1 1 -1  8  4  o 430.940 11.634 39.376  2.1231 38.831  2.5432  40.632  3.8567 427.811 14.037 437.100 20.835 -9.288940      25.12249 
1 1 1 -1  8  5  o 559.555 11.193 66.381  2.6524 68.276  3.7591  64.502  3.7431 567.146 15.651 551.218 16.035 15.92798       22.40698 
1 1 1 -1  8  6  o 445.967 16.019 42.221  3.0253 42.203  4.4695  42.236  4.1100 444.560 23.827 445.564 21.782 -1.003601      32.28240 
1 1 1 -1  8  7  o 1154.97 30.360 285.222 14.850 285.222 14.850  0.0000  0.0000 1154.97 30.360 ?       ?      0.000000       30.36014 
1 1 1 -1  8  8  o 588.164 27.381 73.884  6.8201 0.0000  0.0000  73.884  6.8201 ?       ?      588.164 27.381 0.000000       27.38090 
1 1 1 -1  8  9  o 684.944 29.296 100.447 8.4979 0.0000  0.0000  100.447 8.4979 ?       ?      684.944 29.296 0.000000       29.29648 
1 1 1 -1  8  10 o 534.838 19.915 60.932  4.5108 60.707  6.2120  61.182  6.5607 531.688 27.684 533.367 29.156 -1.678772      40.20553 
1 1 1 -1  8  11 o 502.554 20.262 53.865  4.3123 54.203  5.9810  53.500  6.2232 501.662 28.268 497.972 29.644 3.690247       40.96128 
1 1 1 -1  8  12 o 892.597 22.358 170.255 8.4515 170.744 11.780  169.737 12.132 890.017 31.255 886.855 32.302 3.162048       44.94755 
1 1 1 -1  8  13 o 577.792 21.289 71.219  5.2091 64.909  7.2315  78.024  7.5101 548.405 31.267 602.732 29.422 -54.32782      42.93349 
1 1 1 -1  8  14 o 993.225 23.421 210.408 9.8513 210.654 13.768  210.150 14.101 990.356 32.828 988.806 33.675 1.549622       47.02873 
1 1 1 -1  8  15 o 282.345 22.343 17.069  2.6498 15.447  3.6794  18.817  3.8192 266.614 33.315 295.098 31.025 -28.48444      45.52382 
1 1 1 -1  8  16 o 1007.06 33.388 216.650 14.239 216.650 14.239  0.0000  0.0000 1007.06 33.388 ?       ?      0.000000       33.38775 
1 1 1 -1  8  17 o 528.433 31.611 59.752  7.0416 0.0000  0.0000  59.752  7.0416 ?       ?      528.433 31.611 0.000000       31.61095 
1 1 1 -1  8  18 o 1549.88 27.628 511.409 18.134 516.755 25.510  505.948 25.783 1553.88 38.766 1537.19 39.606 16.69055       55.42066 
1 1 1 -1  8  19 o 632.227 22.277 84.968  5.9644 87.950  8.4034  81.941  8.4668 642.070 30.905 618.689 32.428 23.38062       44.79595 
1 1 1 -1  8  20 o 680.702 18.493 98.415  5.3310 105.915 9.2299  94.661  6.5305 704.221 30.949 667.016 23.119 37.20453       38.63050 
1 1 1 -1  8  21 f 173.436 22.545 6.5078  1.6168 8.9558  2.7530  5.2191  1.9975 201.954 33.354 153.448 31.784 48.50616       46.07297 
1 1 1 -1  8  22 o 843.055 19.091 151.085 6.8160 158.631 11.814  147.320 8.3451 860.699 32.411 831.608 23.696 29.09076       40.14912 
1 1 1 -1  8  23 o 312.233 23.361 20.890  3.0666 22.010  4.4085  19.839  4.2685 318.695 33.150 302.228 33.937 16.46719       47.44052 
1 1 1 -1  8  24 o 845.570 23.681 152.656 8.4800 153.612 11.943  151.684 12.042 844.775 33.384 839.253 33.882 5.521667       47.56594 
1 1 1 -1  8  25 o 273.881 24.531 16.188  2.8151 0.0000  0.0000  16.188  2.8151 ?       ?      273.881 24.531 0.000000       24.53078 
1 1 1 -1  8  26 o 538.206 23.314 62.095  5.3138 57.851  7.4048  66.602  7.6299 514.851 34.156 553.232 32.711 -38.38098      47.29327 
1 1 1 -1  8  27 o 116.711 28.671 3.0613  1.4069 4.6105  2.6226  2.4354  1.6671 142.623 41.145 106.053 33.315 36.56926       52.94144 
1 1 1 -1  8  28 o 256.335 25.037 14.333  2.6832 14.697  3.9041  14.006  3.6937 255.290 37.205 249.590 35.986 5.699493       51.76092 
1 1 1 -1  8  29 o 511.644 18.961 56.222  4.1083 68.484  7.2228  50.358  4.9951 557.607 30.705 481.342 24.586 76.26480       39.33576 
1 1 1 -1  8  30 o 311.617 19.602 21.006  2.5737 20.854  4.4847  21.081  3.1427 303.340 35.587 310.516 24.087 -7.175903      42.97252 
1 1 1 -1  8  31 o 158.264 32.594 5.7877  2.1118 6.0194  2.9409  5.5411  3.0343 158.041 42.860 151.621 44.406 6.419785       61.71576 
1 1 1 -1  9  1  o 619.854 14.247 81.523  3.7398 81.523  3.7398  0.0000  0.0000 619.854 14.247 ?       ?      0.000000       14.24672 
1 1 1 -1  9  2  o 401.006 13.152 34.109  2.2335 34.109  2.2335  0.0000  0.0000 401.006 13.152 ?       ?      0.000000       13.15208 
1 1 1 -1  9  3  o 608.492 10.040 78.481  2.5873 79.238  3.6288  77.699  3.6900 611.122 14.022 605.128 14.399 5.993835       20.09818 
1 1 1 -1  9  4  o 925.858 16.603 182.015 6.5101 189.384 9.2901  174.905 9.1254 943.159 23.259 906.277 23.776 36.88251       33.26114 
1 1 1 -1  9  5  o 673.235 15.679 96.209  4.4701 97.425  6.4917  95.114  6.1643 676.568 22.657 668.627 21.770 7.940552       31.42095 
1 1 1 -1  9  6  o 437.200 15.690 40.577  2.9050 39.272  4.2813  41.690  3.9547 428.779 23.669 442.704 21.094 -13.92502      31.70458 
1 1 1 -1  9  7  o 517.154 16.807 56.808  3.6808 0.0000  0.0000  56.808  3.6808 ?       ?      517.154 16.807 0.000000       16.80665 
1 1 1 -1  9  8  o 236.565 26.249 12.092  2.5854 0.0000  0.0000  12.092  2.5854 ?       ?      236.565 26.249 0.000000       26.24893 
1 1 1 -1  9  9  o 549.030 18.973 64.142  4.4113 65.206  6.0750  62.955  6.4161 552.383 25.969 541.648 28.067 10.73486       38.23851 
1 1 1 -1  9  10 o 302.434 19.202 19.558  2.4466 20.523  3.3518  18.458  3.5793 308.634 25.884 291.842 29.359 16.79114       39.13963 
1 1 1 -1  9  11 o 453.399 19.709 43.832  3.7843 42.435  5.1891  45.418  5.5307 443.785 27.750 458.931 28.599 -15.14548      39.84952 
1 1 1 -1  9  12 o 593.802 20.592 75.232  5.1783 79.126  7.1683  70.982  7.4888 607.062 27.883 573.261 30.962 33.80084       41.66666 
1 1 1 -1  9  13 o 686.257 21.317 100.439 6.1953 99.483  8.5870  101.476 8.9469 680.673 29.789 687.144 30.746 -6.471558      42.80996 
1 1 1 -1  9  14 o 250.589 21.918 13.477  2.3026 15.059  3.1519  11.666  3.3719 263.820 28.672 230.305 35.730 33.51569       45.81168 
1 1 1 -1  9  15 o 1097.84 24.036 256.622 11.175 248.421 15.607  265.250 16.008 1077.12 34.214 1113.10 33.959 -35.97900      48.20643 
1 1 1 -1  9  16 o 934.773 32.477 186.535 12.857 186.535 12.857  0.0000  0.0000 934.773 32.477 ?       ?      0.000000       32.47734 
1 1 1 -1  9  17 o 474.214 31.617 48.160  6.3131 0.0000  0.0000  48.160  6.3131 ?       ?      474.214 31.617 0.000000       31.61728 
1 1 1 -1  9  18 o 858.431 23.150 156.645 8.4160 158.864 11.764  154.318 12.045 862.926 32.190 850.235 33.453 12.69098       46.42550 
1 1 1 -1  9  19 o 667.806 22.451 94.815  6.3492 98.174  8.8760  91.297  9.0860 678.299 30.900 652.958 32.965 25.34174       45.18263 
1 1 1 -1  9  20 o 1038.80 24.232 229.737 10.660 226.283 14.969  233.292 15.186 1028.16 34.378 1043.97 34.348 -15.81140      48.59645 
1 1 1 -1  9  21 o 615.154 22.529 80.544  5.8691 80.306  8.2692  80.787  8.3315 611.817 32.027 613.615 32.174 -1.797668      45.39671 
1 1 1 -1  9  22 o 570.335 18.447 69.132  4.4554 69.839  7.6846  68.774  5.4683 570.279 31.948 568.314 22.721 1.964233       39.20331 
1 1 1 -1  9  23 o 552.909 22.433 65.128  5.2527 70.110  7.4675  60.250  7.3900 571.281 30.982 528.899 33.161 42.38226       45.38229 
1 1 1 -1  9  24 o 775.731 23.344 128.491 7.6689 130.390 10.801  126.561 10.890 778.299 32.771 766.484 33.550 11.81470       46.89869 
1 1 1 -1  9  25 o 184.879 28.209 7.5097  2.1386 0.0000  0.0000  7.5097  2.1386 ?       ?      184.879 28.209 0.000000       28.20866 
1 1 1 -1  9  26 o 157.255 31.708 5.5403  2.0387 6.0794  2.8257  4.9551  2.9444 163.176 40.954 148.251 43.836 14.92464       59.99032 
1 1 1 -1  9  27 o 299.867 19.697 19.321  2.4874 20.575  4.2437  18.664  3.0701 305.500 33.342 293.419 24.944 12.08139       41.64017 
1 1 1 -1  9  28 o 643.699 19.041 88.845  5.1906 99.885  8.9930  83.330  6.3562 675.279 31.447 621.037 24.168 54.24280       39.66082 
1 1 1 -1  9  29 o 285.059 20.209 17.573  2.4239 25.113  4.2100  13.835  2.9645 337.220 29.786 250.086 28.500 87.13455       41.22440 
1 1 1 -1  9  30 o 532.338 23.116 61.534  5.2113 70.334  7.5372  53.475  7.2132 562.177 31.789 487.309 35.189 74.86774       47.42181 
1 1 1 -1  9  31 o 132.287 33.860 4.0843  1.9049 4.4742  2.5431  3.5859  2.8754 137.476 40.761 126.775 43.918 10.70090       59.91824 
1 1 1 -1  10 1  o 485.698 11.101 50.014  2.2833 51.391  3.9185  49.306  2.8095 491.767 18.815 482.086 13.761 9.680359       23.31073 
1 1 1 -1  10 2  o 385.198 13.130 31.473  2.1418 31.151  3.0351  31.792  3.0228 382.879 18.719 386.818 18.453 -3.939209      26.28480 
1 1 1 -1  10 3  o 653.384 14.497 90.589  4.0113 94.034  5.6426  87.069  5.7036 665.050 20.035 639.811 21.050 25.23993       29.06005 
1 1 1 -1  10 4  o 436.297 13.534 40.381  2.5007 37.814  3.5740  42.844  3.5002 421.736 20.011 449.052 18.406 -27.31577      27.18841 
1 1 1 -1  10 5  o 761.211 11.584 122.862 3.7342 122.721 5.2405  123.007 5.3223 760.270 16.276 761.124 16.512 -0.8538818     23.18562 
1 1 1 -1  10 6  o 329.486 12.489 23.026  1.7427 23.596  2.9955  22.734  2.1425 332.320 21.398 327.247 15.460 5.072937       26.39898 
1 1 1 -1  10 7  f 337.669 22.037 24.381  3.1340 0.0000  0.0000  24.381  3.1340 ?       ?      337.669 22.037 0.000000       22.03660 
1 1 1 -1  10 8  o 225.456 17.588 10.871  1.6660 10.322  2.3222  11.452  2.3916 218.421 25.590 230.338 24.915 -11.91757      35.71524 
1 1 1 -1  10 9  o 191.439 18.590 7.8716  1.4881 7.3850  2.0562  8.4068  2.1565 183.840 27.234 196.516 26.595 -12.67575      38.06565 
1 1 1 -1  10 10 o 184.903 19.343 7.3633  1.4922 6.4025  2.0193  8.5192  2.2148 170.395 29.024 197.564 27.192 -27.16878      39.77205 
1 1 1 -1  10 11 o 190.643 19.695 7.8312  1.5672 6.8038  2.1344  9.0329  2.3084 175.521 29.779 203.371 27.509 -27.84949      40.54029 
1 1 1 -1  10 12 o 496.785 19.901 52.623  4.1868 52.276  5.7466  53.015  6.1124 492.819 27.646 495.822 29.239 -3.003571      40.24002 
1 1 1 -1  10 13 o 428.749 20.336 39.167  3.6925 41.384  5.0913  36.706  5.3632 438.757 27.540 412.278 30.944 26.47928       41.42433 
1 1 1 -1  10 14 o 504.099 20.818 54.083  4.4443 58.140  6.1484  49.644  6.4316 520.870 27.976 480.330 31.798 40.53979       42.35281 
1 1 1 -1  10 15 o 1460.60 36.948 457.360 22.854 457.360 22.854  0.0000  0.0000 1460.60 36.948 ?       ?      0.000000       36.94751 
1 1 1 -1  10 16 o 1215.91 34.586 315.876 17.809 315.876 17.809  0.0000  0.0000 1215.91 34.586 ?       ?      0.000000       34.58598 
1 1 1 -1  10 17 o 618.432 31.852 81.772  8.3136 0.0000  0.0000  81.772  8.3136 ?       ?      618.432 31.852 0.000000       31.85158 
1 1 1 -1  10 18 o 315.136 22.650 21.217  3.0027 18.067  4.1262  24.762  4.3777 288.842 34.410 339.407 30.792 -50.56454      46.17538 
1 1 1 -1  10 19 o 298.689 23.138 19.087  2.9039 21.431  4.0290  16.554  4.1892 315.471 30.540 275.704 36.797 39.76694       47.81968 
1 1 1 -1  10 20 o 629.609 22.440 84.338  5.9832 80.199  8.2977  88.822  8.6356 611.617 32.149 644.615 31.633 -32.99860      45.10218 
1 1 1 -1  10 21 o 462.563 22.273 45.541  4.3631 43.914  6.1110  47.233  6.2316 451.862 32.144 468.831 31.570 -16.96826      45.05463 
1 1 1 -1  10 22 o 694.599 22.747 102.745 6.6911 108.369 9.4066  96.986  9.5197 711.569 31.216 672.633 33.420 38.93512       45.73060 
1 1 1 -1  10 23 o 681.347 32.375 99.596  9.3416 99.596  9.3416  0.0000  0.0000 681.347 32.375 ?       ?      0.000000       32.37507 
1 1 1 -1  10 24 o 454.588 18.615 44.002  3.5836 43.404  6.1390  44.311  4.4136 447.802 32.595 454.955 22.982 -7.152191      39.88291 
1 1 1 -1  10 25 o 222.553 26.585 10.782  2.4560 0.0000  0.0000  10.782  2.4560 ?       ?      222.553 26.585 0.000000       26.58473 
1 1 1 -1  10 26 o 300.475 24.537 19.516  3.0951 21.835  4.2951  17.011  4.4639 315.579 32.609 275.935 39.311 39.64423       51.07560 
1 1 1 -1  10 27 o 714.745 19.030 109.272 5.7601 110.203 9.8778  108.793 7.0905 710.758 32.817 711.279 23.539 -0.5217896     40.38587 
1 1 1 -1  10 28 o 557.357 18.976 66.632  4.4790 76.343  7.7258  61.715  5.4971 589.559 31.053 534.214 24.298 55.34418       39.42996 
1 1 1 -1  10 29 o 355.929 19.392 27.316  2.9120 33.010  5.0212  24.431  3.5745 386.204 30.961 334.371 25.434 51.83362       40.06804 
1 1 1 -1  10 30 o 274.255 24.872 16.532  2.8573 23.745  4.1874  10.248  3.9086 326.166 30.676 206.192 45.938 119.9740       55.23832 
1 1 1 -1  10 31 o 131.679 34.003 4.0513  1.9093 2.9720  2.6463  5.2232  2.7574 117.990 42.030 147.562 42.073 -29.57225      59.46944 
1 1 1 -1  11 1  o 1150.18 14.966 280.760 7.2896 280.976 12.561  280.650 8.9513 1148.04 25.835 1149.29 18.391 -1.248169      31.71275 
1 1 1 -1  11 2  f 300.717 10.614 19.170  1.3517 18.415  2.3562  19.541  1.6503 293.750 19.043 303.528 12.838 -9.777863      22.96676 
1 1 1 -1  11 3  o 416.006 10.941 36.690  1.9276 38.373  3.2806  35.802  2.3821 424.986 18.228 410.802 13.693 14.18427       22.79813 
1 1 1 -1  11 4  o 634.007 12.059 85.241  3.2378 86.885  5.5966  84.413  3.9696 639.175 20.676 630.679 14.863 8.495911       25.46347 
1 1 1 -1  11 5  o 545.264 12.348 63.057  2.8514 66.680  4.8806  61.180  3.5133 559.898 20.583 536.840 15.454 23.05768       25.73894 
1 1 1 -1  11 6  o 274.164 12.417 15.944  1.4417 17.786  2.5183  15.046  1.7584 288.381 20.759 265.732 15.695 22.64905       26.02491 
1 1 1 -1  11 7  o 306.751 15.668 20.036  2.0285 20.982  2.9747  19.214  2.7734 313.012 22.593 299.548 22.017 13.46439       31.54637 
1 1 1 -1  11 8  o 276.514 13.621 16.231  1.5951 15.541  2.7869  16.567  1.9452 268.683 24.772 278.707 16.555 -10.02383      29.79447 
1 1 1 -1  11 9  o 609.531 18.566 79.091  4.7924 81.683  6.6574  76.304  6.9042 617.993 25.438 596.841 27.316 21.15161       37.32584 
1 1 1 -1  11 10 o 333.554 18.316 23.771  2.5773 22.700  3.5498  24.963  3.7481 324.444 26.055 340.290 26.210 -15.84680      36.95753 
1 1 1 -1  11 11 o 370.090 18.905 29.270  2.9531 28.997  4.0371  29.585  4.3311 366.823 26.159 370.119 27.836 -3.296478      38.19889 
1 1 1 -1  11 12 o 612.276 20.038 79.927  5.1958 81.386  7.1205  78.265  7.5986 616.039 27.294 603.399 29.736 12.63953       40.36302 
1 1 1 -1  11 13 o 582.037 20.358 72.156  5.0180 76.528  6.8998  67.248  7.3110 598.022 27.244 558.905 31.010 39.11633       41.27790 
1 1 1 -1  11 14 o 307.472 20.733 20.204  2.6839 22.136  3.6903  18.034  3.9105 320.850 27.423 288.372 32.593 32.47787       42.59515 
1 1 1 -1  11 15 o 403.168 28.685 34.835  4.8656 34.835  4.8656  0.0000  0.0000 403.168 28.685 ?       ?      0.000000       28.68485 
1 1 1 -1  11 16 o 509.668 30.993 55.592  6.6577 0.0000  0.0000  55.592  6.6577 ?       ?      509.668 30.993 0.000000       30.99263 
1 1 1 -1  11 17 o 424.679 31.517 38.667  5.6278 0.0000  0.0000  38.667  5.6278 ?       ?      424.679 31.517 0.000000       31.51702 
1 1 1 -1  11 18 o 824.671 22.654 144.572 7.9116 149.824 10.982  138.904 11.408 838.094 30.941 806.488 33.401 31.60657       45.53021 
1 1 1 -1  11 19 o 810.343 22.774 139.665 7.8155 138.922 10.861  140.464 11.255 806.480 31.801 810.724 32.781 -4.244812      45.67191 
1 1 1 -1  11 20 o 399.204 22.397 34.015  3.7712 34.948  5.2071  32.986  5.4689 403.267 30.721 391.203 33.329 12.06491       45.32779 
1 1 1 -1  11 21 o 705.789 22.752 106.062 6.8004 104.155 9.4267  108.130 9.8198 697.564 31.910 710.576 32.632 -13.01160      45.64143 
1 1 1 -1  11 22 o 571.515 22.645 69.563  5.4807 70.470  7.6160  68.589  7.8931 572.849 31.515 564.707 33.150 8.141907       45.74002 
1 1 1 -1  11 23 o 876.615 33.197 165.072 12.324 165.072 12.324  0.0000  0.0000 876.615 33.197 ?       ?      0.000000       33.19668 
1 1 1 -1  11 24 o 376.397 18.937 30.255  3.0089 32.331  5.1579  29.184  3.7046 386.224 31.818 368.738 23.851 17.48608       39.76523 
1 1 1 -1  11 25 o 626.948 23.039 84.156  6.1169 0.0000  0.0000  84.156  6.1169 ?       ?      626.948 23.039 0.000000       23.03851 
1 1 1 -1  11 26 o 580.289 33.577 73.501  8.2161 0.0000  0.0000  73.501  8.2161 ?       ?      580.289 33.577 0.000000       33.57669 
1 1 1 -1  11 27 o 670.205 18.872 96.098  5.3563 97.868  9.1997  95.191  6.5880 669.654 32.440 665.205 23.386 4.449036       39.99067 
1 1 1 -1  11 28 o 581.982 18.997 72.686  4.6821 89.394  8.1901  64.574  5.7066 638.912 30.270 546.056 24.677 92.85553       39.05404 
1 1 1 -1  11 29 o 174.089 23.416 6.6737  1.6826 7.9604  2.8467  5.9829  2.0859 185.594 37.509 162.262 31.491 23.33159       48.97586 
1 1 1 -1  11 30 o 229.363 26.005 11.653  2.4813 11.130  3.6393  12.108  3.3919 217.340 41.044 229.410 36.106 -12.06949      54.66539 
1 1 1 -1  11 31 o 334.861 24.585 24.675  3.4621 30.230  4.8467  18.887  4.9471 366.517 31.533 282.212 42.731 84.30554       53.10582 
1 1 1 -1  12 1  o 692.927 12.018 101.819 3.5268 98.355  4.3008  108.931 6.1624 680.766 14.918 715.737 20.331 -34.97119      25.21658 
1 1 1 -1  12 2  o 168.283 9.6457 6.0218  0.6845 6.0423  0.9719  6.0016  0.9643 168.204 13.765 167.638 13.703 0.5655365      19.42275 
1 1 1 -1  12 3  o 462.833 9.5903 45.402  1.8797 45.131  2.6319  45.684  2.6856 461.236 13.474 464.039 13.666 -2.803253      19.19166 
1 1 1 -1  12 4  o 877.756 11.565 163.375 4.2991 167.766 6.0591  158.924 6.1009 888.873 16.096 865.050 16.653 23.82306       23.16096 
1 1 1 -1  12 5  o 788.898 11.472 131.977 3.8328 129.446 5.3735  134.599 5.4685 780.714 16.252 796.105 16.220 -15.39154      22.96159 
1 1 1 -1  12 6  o 526.870 10.987 58.864  2.4514 59.401  3.4528  58.318  3.4809 528.900 15.415 524.026 15.685 4.874084       21.99234 
1 1 1 -1  12 7  o 154.941 16.661 5.1601  1.0760 4.9681  1.5329  5.3465  1.5108 150.620 24.903 156.640 23.500 -6.020096      34.24016 
1 1 1 -1  12 8  o 616.563 14.188 80.733  3.7047 77.040  6.4836  82.523  4.5143 600.327 25.502 622.944 17.112 -22.61700      30.71137 
1 1 1 -1  12 9  o 310.642 17.575 20.604  2.3026 20.187  3.2001  21.051  3.3159 306.194 24.894 312.645 25.260 -6.450073      35.46506 
1 1 1 -1  12 10 o 308.205 18.133 20.304  2.3563 21.790  3.2694  18.698  3.3990 318.137 24.454 293.862 27.637 24.27454       36.90260 
1 1 1 -1  12 11 o 318.698 18.770 21.720  2.5222 26.146  3.4722  16.776  3.6699 348.824 23.644 277.174 31.843 71.64990       39.66122 
1 1 1 -1  12 12 o 710.035 20.130 107.468 6.0531 105.746 8.2886  109.436 8.8608 702.180 27.873 713.847 29.310 -11.66693      40.44778 
1 1 1 -1  12 13 o 356.330 19.695 27.107  2.9605 25.980  4.0350  28.421  4.3572 347.428 27.653 363.291 28.551 -15.86325      39.74760 
1 1 1 -1  12 14 o 340.151 20.269 24.690  2.9065 25.460  3.9571  23.789  4.2831 344.357 27.360 332.166 30.799 12.19113       41.19612 
1 1 1 -1  12 15 o 358.951 28.139 27.627  4.2433 27.627  4.2433  0.0000  0.0000 358.951 28.139 ?       ?      0.000000       28.13930 
1 1 1 -1  12 16 o 330.277 31.341 23.468  4.3311 0.0000  0.0000  23.468  4.3311 ?       ?      330.277 31.341 0.000000       31.34083 
1 1 1 -1  12 17 o 502.152 21.097 53.566  4.4864 51.933  6.1555  55.417  6.5524 492.788 29.634 508.957 30.541 -16.16943      42.55493 
1 1 1 -1  12 18 o 592.141 21.589 74.518  5.4138 76.327  7.4524  72.496  7.8779 598.348 29.410 581.901 32.092 16.44702       43.53017 
1 1 1 -1  12 19 o 333.840 22.200 23.806  3.1207 26.900  4.2775  20.285  4.5630 353.972 28.784 305.732 35.928 48.23990       46.03609 
1 1 1 -1  12 20 f 1178.08 24.822 295.693 12.384 287.253 17.199  304.780 17.846 1157.60 35.084 1192.28 35.344 -34.68530      49.80031 
1 1 1 -1  12 21 o 752.775 22.712 120.664 7.2403 120.115 10.016  121.265 10.478 749.109 31.572 752.344 32.888 -3.235107      45.58927 
1 1 1 -1  12 22 o 543.560 22.521 62.930  5.1843 67.143  7.1857  58.356  7.4869 559.308 30.452 520.385 34.163 38.92303       45.76466 
1 1 1 -1  12 23 o 1309.47 36.756 369.856 20.383 369.856 20.383  0.0000  0.0000 1309.47 36.756 ?       ?      0.000000       36.75623 
1 1 1 -1  12 24 o 370.062 33.024 29.778  5.1210 0.0000  0.0000  29.778  5.1210 ?       ?      370.062 33.024 0.000000       33.02369 
1 1 1 -1  12 25 o 589.051 22.846 74.307  5.6992 68.848  7.9293  80.142  8.1972 562.479 33.438 607.695 31.964 -45.21631      46.25830 
1 1 1 -1  12 26 o 617.152 33.477 83.155  8.7167 0.0000  0.0000  83.155  8.7167 ?       ?      617.152 33.477 0.000000       33.47689 
1 1 1 -1  12 27 o 757.313 19.188 122.800 6.1540 135.361 10.582  116.381 7.5648 787.580 31.727 734.797 24.310 52.78394       39.96966 
1 1 1 -1  12 28 o 404.225 18.896 35.077  3.2347 44.949  5.6094  30.158  3.9593 452.353 29.442 372.028 25.280 80.32559       38.80643 
1 1 1 -1  12 29 o 213.465 25.461 10.045  2.2563 11.971  3.2080  8.1608  3.1739 230.029 33.952 186.394 41.296 43.63579       53.46098 
1 1 1 -1  12 30 f 121.317 33.775 3.4065  1.7992 3.3943  2.3659  3.4233  2.7706 122.319 39.822 124.586 43.113 -2.266907      58.69009 
1 1 1 -1  12 31 o 252.158 21.764 13.923  2.3013 20.855  3.9462  10.351  2.8329 304.198 31.068 212.770 32.468 91.42874       44.93786 
1 1 1 -1  13 1  o 804.393 11.013 137.186 3.7516 138.147 5.2682  136.197 5.3438 806.706 15.421 800.950 15.754 5.756409       22.04538 
1 1 1 -1  13 2  o 308.372 9.3370 20.154  1.2193 20.830  1.7346  19.495  1.7144 313.355 13.071 303.135 13.355 10.21973       18.68699 
1 1 1 -1  13 3  o 293.703 9.3021 18.283  1.1570 17.439  1.6189  19.164  1.6542 286.700 13.333 300.562 12.996 -13.86194      18.61921 
1 1 1 -1  13 4  o 963.392 12.021 196.850 4.9046 195.784 6.9085  197.934 6.9642 959.991 16.993 965.240 17.037 -5.248352      24.06293 
1 1 1 -1  13 5  o 370.096 9.9236 29.037  1.5553 28.761  2.1738  29.327  2.2264 368.120 13.944 371.713 14.143 -3.592987      19.86093 
1 1 1 -1  13 6  o 248.975 10.512 13.145  1.1083 14.193  1.5598  12.075  1.5752 258.161 14.323 237.911 15.723 20.25027       21.26847 
1 1 1 -1  13 7  o 188.323 15.893 7.5896  1.2556 8.1009  1.8706  7.1703  1.6940 193.492 23.296 182.023 22.451 11.46901       32.35423 
1 1 1 -1  13 8  o 160.440 14.208 5.5105  0.9554 5.7474  1.6259  5.3856  1.1807 162.230 24.423 158.074 17.956 4.155426       30.31352 
1 1 1 -1  13 9  o 269.168 13.784 15.434  1.5659 15.964  2.7229  15.173  1.9142 272.154 23.866 266.444 17.054 5.709656       29.33286 
1 1 1 -1  13 10 o 146.005 19.677 4.6271  1.1857 5.5763  1.6715  3.6659  1.6821 159.363 25.636 127.901 31.308 31.46185       40.46523 
1 1 1 -1  13 11 o 299.634 18.420 19.197  2.3260 19.856  3.2157  18.474  3.3686 303.480 25.250 292.154 27.552 11.32697       37.37250 
1 1 1 -1  13 12 o 265.950 19.164 15.138  2.1440 15.378  2.9636  14.875  3.1053 266.759 26.588 261.929 28.453 4.829529       38.94201 
1 1 1 -1  13 13 o 465.472 19.481 46.093  3.8402 44.887  5.2156  47.521  5.6753 457.577 27.035 470.516 28.618 -12.93942      39.36863 
1 1 1 -1  13 14 o 894.585 29.659 170.902 11.236 170.902 11.236  0.0000  0.0000 894.585 29.659 ?       ?      0.000000       29.65935 
1 1 1 -1  13 15 o 413.019 20.157 36.238  3.5256 37.057  4.7839  35.264  5.2161 416.226 27.291 405.449 30.604 10.77704       41.00497 
1 1 1 -1  13 16 o 539.132 30.405 62.153  6.9137 0.0000  0.0000  62.153  6.9137 ?       ?      539.132 30.405 0.000000       30.40507 
1 1 1 -1  13 17 o 422.055 20.826 37.840  3.7223 36.863  5.0584  38.995  5.4973 414.953 28.967 426.571 30.635 -11.61829      42.16157 
1 1 1 -1  13 18 o 671.499 21.545 95.841  6.1267 102.769 8.4326  88.095  8.9168 694.331 28.678 641.345 32.941 52.98572       43.67560 
1 1 1 -1  13 19 o 257.721 23.414 14.250  2.5275 14.155  3.4440  14.361  3.7210 255.290 32.600 256.658 35.159 -1.368546      47.94682 
1 1 1 -1  13 20 o 905.274 23.143 174.492 8.8723 180.464 12.255  167.913 12.862 918.478 31.506 885.126 34.313 33.35168       46.58341 
1 1 1 -1  13 21 o 605.930 22.215 78.169  5.7006 70.047  7.8111  87.424  8.3383 570.941 32.440 639.193 30.804 -68.25177      44.73475 
1 1 1 -1  13 22 o 390.985 22.731 32.678  3.7475 32.173  5.1048  33.267  5.5188 386.275 31.480 392.362 33.536 -6.087646      45.99606 
1 1 1 -1  13 23 o 926.367 32.926 184.590 12.917 184.590 12.917  0.0000  0.0000 926.367 32.926 ?       ?      0.000000       32.92580 
1 1 1 -1  13 24 o 210.465 40.236 9.9591  3.4555 0.0000  0.0000  9.9591  3.4555 ?       ?      210.465 40.236 0.000000       40.23605 
1 1 1 -1  13 25 o 708.969 22.956 107.705 6.8923 108.376 9.6370  107.002 9.8613 707.151 32.180 702.152 33.163 4.999390       46.21007 
1 1 1 -1  13 26 o 783.489 33.779 133.855 11.208 0.0000  0.0000  133.855 11.208 ?       ?      783.489 33.779 0.000000       33.77884 
1 1 1 -1  13 27 o 712.886 18.986 108.854 5.7320 120.883 9.8198  102.637 7.0595 744.080 31.163 689.791 24.166 54.28900       39.43521 
1 1 1 -1  13 28 o 246.503 20.536 13.169  2.1243 13.774  3.6111  12.849  2.6269 246.737 35.588 241.785 26.067 4.951950       44.11370 
1 1 1 -1  13 29 o 439.173 23.318 41.938  4.3213 55.197  6.1091  28.660  6.1136 500.559 28.942 352.582 41.755 147.9772       50.80499 
1 1 1 -1  13 30 o 327.957 24.304 23.621  3.3515 22.785  4.5214  24.640  4.9931 316.592 34.270 327.822 36.590 -11.22906      50.13267 
1 1 1 -1  13 31 o 309.297 20.344 20.826  2.6498 24.827  4.3635  18.488  3.3353 331.804 31.428 288.001 27.687 43.80264       41.88451 
1 1 1 -1  14 1  o 396.799 9.4827 33.373  1.5935 31.936  2.2313  34.868  2.2764 387.957 13.581 405.394 13.259 -17.43695      18.98055 
1 1 1 -1  14 2  o 161.448 9.9685 5.5465  0.6782 4.6637  0.9494  6.4665  0.9692 147.408 15.438 174.078 13.246 -26.66911      20.34193 
1 1 1 -1  14 3  o 656.966 10.360 91.505  2.8824 91.189  4.0457  91.832  4.1077 655.424 14.576 657.712 14.747 -2.288025      20.73491 
1 1 1 -1  14 4  o 143.955 10.320 4.4162  0.6250 4.6742  0.8785  4.1518  0.8893 147.716 14.219 138.986 15.365 8.730270       20.93495 
1 1 1 -1  14 5  o 438.097 10.070 40.693  1.8683 39.653  2.6197  41.770  2.6653 432.173 14.313 443.568 14.189 -11.39505      20.15429 
1 1 1 -1  14 6  o 375.420 10.472 29.889  1.6649 29.212  2.3326  30.592  2.3773 370.858 14.852 379.520 14.791 -8.662018      20.96076 
1 1 1 -1  14 7  o 323.296 15.114 22.210  2.0692 23.427  3.0566  21.180  2.8114 330.680 21.952 314.475 21.235 16.20447       30.54164 
1 1 1 -1  14 8  o 347.200 13.628 25.608  2.0038 23.394  3.3869  26.800  2.4854 329.801 24.423 354.919 16.536 -25.11874      29.49447 
1 1 1 -1  14 9  o 157.305 16.053 5.3189  1.0544 5.4732  1.6829  5.2191  1.3529 157.760 26.101 154.950 21.172 2.810013       33.60864 
1 1 1 -1  14 10 o 385.977 17.669 31.732  2.8881 30.423  4.0011  33.156  4.1730 375.958 25.277 392.561 25.235 -16.60236      35.71764 
1 1 1 -1  14 11 o 535.806 18.557 61.153  4.2107 62.859  5.8260  59.287  6.0925 541.827 25.390 525.016 27.498 16.81122       37.42693 
1 1 1 -1  14 12 o 485.503 18.835 50.167  3.8725 47.341  5.2836  53.446  5.6924 469.698 26.672 499.068 27.034 -29.37009      37.97718 
1 1 1 -1  14 13 o 496.593 26.349 52.775  5.5215 52.775  5.5215  0.0000  0.0000 496.593 26.349 ?       ?      0.000000       26.34927 
1 1 1 -1  14 14 o 989.695 30.104 209.111 12.617 209.111 12.617  0.0000  0.0000 989.695 30.104 ?       ?      0.000000       30.10372 
1 1 1 -1  14 15 o 951.680 32.199 193.306 12.977 0.0000  0.0000  193.306 12.977 ?       ?      951.680 32.199 0.000000       32.19921 
1 1 1 -1  14 16 o 1113.72 23.198 263.671 10.941 264.937 15.048  262.251 15.937 1114.45 31.885 1108.24 33.956 6.210938       46.57976 
1 1 1 -1  14 17 o 814.388 21.798 140.950 7.5177 144.167 10.307  137.293 10.989 822.366 29.595 801.995 32.355 20.37085       43.84913 
1 1 1 -1  14 18 o 480.698 20.854 49.110  4.2453 41.830  5.7337  57.943  6.3160 441.623 30.852 520.495 28.765 -78.87265      42.18138 
1 1 1 -1  14 19 o 629.199 21.465 84.203  5.7195 85.115  7.8031  83.144  8.4080 631.406 29.182 622.746 31.990 8.660583       43.30040 
1 1 1 -1  14 20 o 1200.77 24.588 307.279 12.503 297.649 17.201  318.068 18.207 1178.16 34.475 1217.53 35.311 -39.36670      49.34996 
1 1 1 -1  14 21 o 421.940 22.014 38.006  3.9199 41.466  5.3354  33.948  5.7783 439.545 28.823 396.242 34.787 43.30319       45.17578 
1 1 1 -1  14 22 o 218.145 34.957 10.473  3.1204 10.473  3.1204  0.0000  0.0000 218.145 34.957 ?       ?      0.000000       34.95714 
1 1 1 -1  14 23 o 638.133 22.485 86.904  6.0765 86.794  8.3248  87.029  8.8899 635.521 30.932 634.861 33.180 0.6602173      45.36197 
1 1 1 -1  14 24 o 200.367 41.664 9.0915  3.4201 0.0000  0.0000  9.0915  3.4201 ?       ?      200.367 41.664 0.000000       41.66413 
1 1 1 -1  14 25 o 233.503 25.602 11.857  2.4901 11.382  3.2984  12.487  3.7972 225.980 35.647 235.715 39.433 -9.735001      53.15693 
1 1 1 -1  14 26 o 340.061 33.839 25.470  4.8085 0.0000  0.0000  25.470  4.8085 ?       ?      340.061 33.839 0.000000       33.83862 
1 1 1 -1  14 27 o 631.401 22.981 85.930  6.1451 84.425  8.5418  87.544  8.8471 619.535 32.672 630.484 33.252 -10.94897      46.61749 
1 1 1 -1  14 28 o 188.736 22.299 7.7963  1.7479 10.586  2.9632  6.3079  2.1645 216.517 33.390 166.679 31.826 49.83821       46.12782 
1 1 1 -1  14 29 o 239.986 24.916 12.668  2.4954 16.125  3.5244  9.1931  3.5337 268.208 31.638 196.603 43.585 71.60492       53.85764 
1 1 1 -1  14 30 o 104.100 34.137 2.3925  1.7375 1.3969  2.2808  3.7692  2.6821 96.083  37.943 128.150 42.432 -32.06635      56.92280 
1 1 1 -1  14 31 o 319.334 26.232 22.594  3.5162 0.0000  0.0000  22.594  3.5162 ?       ?      319.334 26.232 0.000000       26.23226 
1 1 1 -1  15 1  o 411.627 9.5635 35.917  1.6671 35.540  2.3354  36.310  2.3806 409.234 13.475 413.636 13.590 -4.402283      19.13832 
1 1 1 -1  15 2  o 144.191 10.417 4.4312  0.6318 5.1709  0.8987  3.7082  0.8885 155.481 13.792 131.112 16.357 24.36879       21.39513 
1 1 1 -1  15 3  o 561.561 10.050 66.860  2.3901 68.204  3.3570  65.477  3.4038 566.840 13.984 555.346 14.473 11.49469       20.12544 
1 1 1 -1  15 4  o 160.818 11.874 5.5163  0.8029 5.9504  1.3872  5.2975  0.9847 165.991 20.146 157.232 14.969 8.758484       25.09850 
1 1 1 -1  15 5  o 266.766 9.8634 15.089  1.1143 15.507  1.5667  14.662  1.5851 269.906 13.752 262.376 14.320 7.530060       19.85427 
1 1 1 -1  15 6  o 335.439 10.438 23.865  1.4828 23.035  2.0717  24.738  2.1233 329.267 14.857 341.238 14.693 -11.97086      20.89551 
1 1 1 -1  15 7  o 301.286 13.145 19.277  1.6772 19.821  2.8749  18.997  2.0651 303.836 22.503 298.397 16.405 5.438568       27.84772 
1 1 1 -1  15 8  o 502.883 13.529 53.732  2.8811 49.578  4.8618  55.980  3.5769 481.326 23.852 512.875 16.468 -31.54849      28.98449 
1 1 1 -1  15 9  o 401.505 17.072 34.327  2.9028 35.664  4.0101  32.855  4.2072 407.615 23.328 390.644 25.573 16.97116       34.61407 
1 1 1 -1  15 10 o 206.322 15.398 9.1026  1.3357 10.325  2.2030  8.3917  1.6797 218.354 24.232 197.296 20.398 21.05821       31.67472 
1 1 1 -1  15 11 o 533.608 18.377 60.621  4.1529 58.508  5.7155  62.984  6.0445 522.849 25.813 542.366 26.316 -19.51746      36.86247 
1 1 1 -1  15 12 o 686.619 26.739 100.773 7.7751 100.773 7.7751  0.0000  0.0000 686.619 26.739 ?       ?      0.000000       26.73893 
1 1 1 -1  15 13 o 693.156 27.210 102.528 7.9874 102.528 7.9874  0.0000  0.0000 693.156 27.210 ?       ?      0.000000       27.20998 
1 1 1 -1  15 14 o 499.965 28.859 53.480  6.0844 0.0000  0.0000  53.480  6.0844 ?       ?      499.965 28.859 0.000000       28.85918 
1 1 1 -1  15 15 o 867.483 31.327 160.525 11.509 0.0000  0.0000  160.525 11.509 ?       ?      867.483 31.327 0.000000       31.32666 
1 1 1 -1  15 16 o 932.677 21.915 184.856 8.6560 178.894 11.829  191.728 12.700 915.981 30.494 948.020 31.634 -32.03888      43.93836 
1 1 1 -1  15 17 o 795.573 21.468 134.517 7.2330 137.501 9.8887  131.083 10.607 803.117 29.075 783.599 31.964 19.51770       43.20885 
1 1 1 -1  15 18 o 559.265 20.857 66.487  4.9399 67.695  6.7192  65.066  7.2874 563.423 28.161 551.044 31.358 12.37872       42.14640 
1 1 1 -1  15 19 o 487.371 29.174 50.904  5.9938 50.904  5.9938  0.0000  0.0000 487.371 29.174 ?       ?      0.000000       29.17426 
1 1 1 -1  15 20 o 482.262 21.335 49.494  4.3573 47.825  5.9077  51.485  6.4528 472.051 29.703 489.498 31.292 -17.44650      43.14458 
1 1 1 -1  15 21 o 237.863 24.335 12.186  2.4168 11.922  3.2560  12.510  3.6068 233.392 33.936 238.526 36.897 -5.133957      50.13010 
1 1 1 -1  15 22 o 1057.99 32.923 240.389 14.751 240.389 14.751  0.0000  0.0000 1057.99 32.923 ?       ?      0.000000       32.92325 
1 1 1 -1  15 23 o 494.921 33.090 53.032  6.8954 0.0000  0.0000  53.032  6.8954 ?       ?      494.921 33.090 0.000000       33.08966 
1 1 1 -1  15 24 o 252.912 37.743 14.220  3.9188 0.0000  0.0000  14.220  3.9188 ?       ?      252.912 37.743 0.000000       37.74303 
1 1 1 -1  15 25 o 414.039 22.643 36.862  3.9553 34.016  5.3452  40.307  5.8803 394.568 32.271 429.595 32.564 -35.02676      45.84582 
1 1 1 -1  15 26 o 436.999 34.217 42.007  6.2817 0.0000  0.0000  42.007  6.2817 ?       ?      436.999 34.217 0.000000       34.21658 
1 1 1 -1  15 27 o 451.959 22.751 44.164  4.3406 49.196  5.9579  38.471  6.3367 473.618 29.857 415.080 36.416 58.53824       47.09146 
1 1 1 -1  15 28 o 201.792 26.334 9.0090  2.1968 10.078  3.0845  7.9084  3.1293 210.027 35.973 183.580 41.257 26.44684       54.73734 
1 1 1 -1  15 29 o 538.089 22.733 62.855  5.1803 62.260  7.1577  63.509  7.5068 528.260 32.148 532.426 33.463 -4.165527      46.40349 
1 1 1 -1  15 30 o 303.325 24.628 20.280  3.1363 20.509  4.2325  20.002  4.6704 299.905 33.922 293.194 38.549 6.710358       51.34886 
1 1 1 -1  16 1  o 543.121 9.9964 62.543  2.2992 63.037  3.2253  62.034  3.2786 544.915 13.976 540.529 14.323 4.386230       20.01194 
1 1 1 -1  16 2  o 453.620 9.7689 43.627  1.8766 43.639  2.6522  43.615  2.6557 453.390 13.813 453.267 13.835 0.1231689      19.55045 
1 1 1 -1  16 3  o 485.724 9.8258 50.024  2.0212 49.087  2.8341  50.993  2.8833 480.831 13.918 490.080 13.892 -9.249756      19.66486 
1 1 1 -1  16 4  o 269.686 11.134 15.428  1.2716 16.561  1.5483  13.082  2.2287 279.311 13.089 246.803 21.540 32.50764       25.20488 
1 1 1 -1  16 5  o 104.995 13.789 2.3811  0.5983 1.5324  0.7947  3.4917  0.9090 83.296  22.146 126.954 17.363 -43.65842      28.14081 
1 1 1 -1  16 6  o 571.071 10.798 69.191  2.6113 67.445  3.6445  71.034  3.7434 563.258 15.279 578.052 15.292 -14.79327      21.61660 
1 1 1 -1  16 7  o 708.665 17.370 106.943 5.2131 106.766 7.2070  107.137 7.5498 706.240 24.097 707.104 25.212 -0.8640137     34.87546 
1 1 1 -1  16 8  f 639.966 17.156 87.215  4.6495 94.263  6.3302  78.959  6.8516 663.966 22.513 606.492 26.676 57.47412       34.90610 
1 1 1 -1  16 9  o 385.081 13.839 31.514  2.2568 31.398  3.7986  31.578  2.8056 382.341 23.575 385.084 17.204 -2.742401      29.18498 
1 1 1 -1  16 10 o 156.615 18.236 5.2937  1.1868 4.3658  1.8131  5.9893  1.5699 139.693 31.411 165.881 22.963 -26.18773      38.90989 
1 1 1 -1  16 11 o 343.558 18.236 25.186  2.6438 23.086  3.5973  27.653  3.8986 327.517 26.154 358.697 25.838 -31.17996      36.76415 
1 1 1 -1  16 12 o 257.974 26.887 14.364  2.8942 14.364  2.8942  0.0000  0.0000 257.974 26.887 ?       ?      0.000000       26.88675 
1 1 1 -1  16 13 o 850.977 29.661 154.644 10.689 0.0000  0.0000  154.644 10.689 ?       ?      850.977 29.661 0.000000       29.66142 
1 1 1 -1  16 14 o 651.825 29.046 90.585  8.0180 0.0000  0.0000  90.585  8.0180 ?       ?      651.825 29.046 0.000000       29.04643 
1 1 1 -1  16 15 o 1456.51 25.169 451.338 15.525 451.037 21.386  451.673 22.572 1452.91 34.758 1453.19 36.678 -0.2830811     50.53073 
1 1 1 -1  16 16 o 298.901 20.307 19.064  2.5553 20.016  3.4475  17.904  3.8065 305.438 26.928 287.972 31.740 17.46625       41.62421 
1 1 1 -1  16 17 o 536.074 20.363 61.061  4.6229 64.277  6.2773  57.250  6.8338 549.294 26.985 516.924 31.365 32.36945       41.37596 
1 1 1 -1  16 18 o 692.662 21.080 102.016 6.1834 100.912 8.4082  103.316 9.1250 687.653 28.873 695.384 30.986 -7.730835      42.35294 
1 1 1 -1  16 19 o 500.706 20.831 53.327  4.4170 53.438  5.9955  53.196  6.5321 499.456 28.464 497.756 31.144 1.700317       42.19185 
1 1 1 -1  16 20 o 747.900 21.860 119.082 6.9237 122.437 9.4336  115.166 10.194 756.703 29.438 733.021 32.838 23.68158       44.10107 
1 1 1 -1  16 21 o 760.854 22.092 123.296 7.1185 116.497 9.6594  131.378 10.531 737.523 30.927 782.970 31.760 -45.44757      44.33023 
1 1 1 -1  16 22 o 256.332 31.902 14.318  3.3882 14.318  3.3882  0.0000  0.0000 256.332 31.902 ?       ?      0.000000       31.90198 
1 1 1 -1  16 23 o 895.381 34.071 173.264 12.919 0.0000  0.0000  173.264 12.919 ?       ?      895.381 34.071 0.000000       34.07108 
1 1 1 -1  16 24 o 227.069 24.651 11.187  2.3324 13.226  3.1629  8.7578  3.4532 245.501 31.121 195.946 42.811 49.55473       52.92715 
1 1 1 -1  16 25 o 606.759 30.749 80.032  7.8753 80.032  7.8753  0.0000  0.0000 606.759 30.749 ?       ?      0.000000       30.74881 
1 1 1 -1  16 26 o 320.527 23.193 22.214  3.1270 22.409  4.2277  21.978  4.6462 319.119 31.703 314.522 35.504 4.596680       47.59808 
1 1 1 -1  16 27 o 267.110 24.717 15.581  2.7643 17.066  3.7322  13.777  4.1143 276.729 32.463 244.571 41.187 32.15781       52.44291 
1 1 1 -1  16 28 o 132.245 30.393 3.9947  1.6665 4.2123  2.2267  3.7176  2.5126 134.828 37.587 128.206 40.973 6.622635       55.60160 
1 1 1 -1  16 29 o 279.954 24.087 17.203  2.8279 18.871  3.9106  15.375  4.0944 289.286 32.482 257.542 38.740 31.74380       50.55536 
1 1 1 -1  16 30 o 199.405 27.105 8.9216  2.2296 12.655  2.9807  4.1791  3.3593 236.454 30.476 135.190 47.434 101.2641       56.37996 
1 1 1 -1  17 1  o 228.423 9.7812 11.064  0.9462 10.692  1.3207  11.456  1.3562 223.953 13.995 231.861 13.876 -7.907883      19.70806 
1 1 1 -1  17 2  o 330.981 9.7925 23.230  1.3726 22.032  1.9136  24.499  1.9699 322.095 14.029 339.671 13.694 -17.57590      19.60467 
1 1 1 -1  17 3  o 252.212 9.7773 13.489  1.0443 14.057  1.4702  12.911  1.4836 256.937 13.560 246.130 14.295 10.80701       19.70322 
1 1 1 -1  17 4  o 655.007 10.604 91.012  2.9414 82.932  4.1008  99.574  4.2215 624.612 15.503 684.573 14.561 -59.96136      21.26907 
1 1 1 -1  17 5  o 318.345 11.492 21.508  1.5493 22.234  1.8697  19.918  2.7674 323.519 13.647 304.726 21.585 18.79337       25.53680 
1 1 1 -1  17 6  o 255.726 12.609 13.889  1.3656 12.852  1.6573  16.082  2.4101 245.251 16.045 273.668 20.955 -28.41768      26.39206 
1 1 1 -1  17 7  o 370.824 16.487 29.271  2.5891 29.738  3.6605  28.804  3.6626 372.076 23.349 366.077 23.754 5.998840       33.30807 
1 1 1 -1  17 8  o 381.232 13.062 30.879  2.1089 33.623  3.4909  29.302  2.6463 396.239 20.877 370.956 16.845 25.28238       26.82582 
1 1 1 -1  17 9  o 539.946 13.708 61.946  3.1346 59.713  5.2682  63.170  3.9001 528.347 23.545 544.765 16.905 -16.41791      28.98541 
1 1 1 -1  17 10 o 405.029 16.991 34.899  2.9143 34.257  4.0588  35.583  4.1872 399.636 24.095 407.264 24.390 -7.628693      34.28441 
1 1 1 -1  17 11 o 538.766 17.905 61.730  4.0852 60.417  5.7364  63.082  5.8192 531.826 25.470 543.464 25.284 -11.63837      35.88878 
1 1 1 -1  17 12 o 947.016 16.559 190.472 6.6411 184.225 11.360  193.716 8.1857 928.518 28.889 954.338 20.254 -25.81995      35.28170 
1 1 1 -1  17 13 o 648.885 28.147 89.790  7.7348 0.0000  0.0000  89.790  7.7348 ?       ?      648.885 28.147 0.000000       28.14720 
1 1 1 -1  17 14 o 948.371 21.088 191.109 8.4694 190.102 11.654  192.236 12.330 944.380 29.139 949.329 30.668 -4.949219      42.30426 
1 1 1 -1  17 15 o 555.878 19.646 65.621  4.6247 64.869  6.3029  66.497  6.8068 551.977 26.964 557.896 28.910 -5.919617      39.53221 
1 1 1 -1  17 16 o 1780.32 28.042 675.348 21.143 678.707 29.244  671.670 30.602 1779.68 38.802 1769.30 40.842 10.38293       56.33548 
1 1 1 -1  17 17 o 518.657 20.193 57.164  4.4354 53.108  5.9803  62.123  6.6123 498.246 28.461 538.889 29.082 -40.64328      40.69101 
1 1 1 -1  17 18 o 896.826 21.852 171.111 8.2993 167.803 11.303  174.980 12.225 886.242 30.116 904.503 31.915 -18.26001      43.88128 
1 1 1 -1  17 19 o 726.755 21.272 112.390 6.5469 106.731 8.8744  119.148 9.6979 706.587 29.657 746.309 30.684 -39.72223      42.67385 
1 1 1 -1  17 20 o 601.542 21.129 77.018  5.3826 74.478  7.2807  80.080  7.9935 590.168 29.131 610.810 31.004 -20.64154      42.54230 
1 1 1 -1  17 21 o 529.578 29.053 60.186  6.4910 60.186  6.4910  0.0000  0.0000 529.578 29.053 ?       ?      0.000000       29.05348 
1 1 1 -1  17 22 o 509.304 21.535 55.309  4.6448 55.100  6.2937  55.558  6.8834 505.980 29.500 507.309 32.206 -1.329224      43.67478 
1 1 1 -1  17 23 o 469.665 33.050 47.901  6.5318 0.0000  0.0000  47.901  6.5318 ?       ?      469.665 33.050 0.000000       33.05034 
1 1 1 -1  17 24 o 260.134 24.076 14.640  2.6223 12.492  3.5040  17.374  3.9535 236.898 36.065 280.857 33.927 -43.95824      49.51485 
1 1 1 -1  17 25 o 257.004 32.129 14.573  3.4204 14.573  3.4204  0.0000  0.0000 257.004 32.129 ?       ?      0.000000       32.12864 
1 1 1 -1  17 26 o 336.628 22.888 24.501  3.2435 23.000  4.3340  26.412  4.8903 322.886 32.122 345.467 33.862 -22.58148      46.67357 
1 1 1 -1  17 27 o 571.435 22.488 70.551  5.4420 68.448  7.3585  73.089  8.0849 556.881 31.330 573.917 33.409 -17.03589      45.80063 
1 1 1 -1  17 28 o 95.796  31.752 1.9576  1.5017 1.7059  1.9662  2.3100  2.3265 96.736  35.958 108.302 39.304 -11.56687      53.27116 
1 1 1 -1  17 29 o 253.732 34.928 14.744  3.6536 14.744  3.6536  0.0000  0.0000 253.732 34.928 ?       ?      0.000000       34.92779 
1 1 1 -1  17 30 o 425.354 23.047 39.643  4.1361 36.529  5.5348  43.580  6.2243 401.397 32.848 437.744 33.839 -36.34711      47.15945 
1 1 1 -1  18 1  o 571.241 11.720 69.251  2.8352 68.007  3.4547  71.819  4.9619 565.758 14.419 580.452 20.186 -14.69427      24.80661 
1 1 1 -1  18 2  o 399.881 11.431 33.933  1.9358 33.088  2.3404  35.762  3.4444 394.658 14.003 409.622 19.856 -14.96371      24.29690 
1 1 1 -1  18 3  o 422.379 11.501 37.863  2.0572 36.453  2.5115  40.736  3.5861 414.185 14.318 437.197 19.369 -23.01215      24.08656 
1 1 1 -1  18 4  o 333.647 11.507 23.629  1.6259 24.567  1.9859  21.720  2.8313 340.032 13.791 318.299 21.125 21.73267       25.22792 
1 1 1 -1  18 5  o 551.379 12.185 64.559  2.8452 61.915  3.4321  70.370  5.0879 539.569 15.020 574.063 20.928 -34.49347      25.76015 
1 1 1 -1  18 6  o 276.576 14.359 16.306  1.6761 17.803  2.3064  14.631  2.4398 288.329 18.995 260.660 22.318 27.66916       29.30710 
1 1 1 -1  18 7  o 247.394 12.954 13.039  1.3524 11.717  2.1539  13.899  1.7376 233.073 22.086 255.028 16.173 -21.95482      27.37390 
1 1 1 -1  18 8  f 221.129 16.758 10.468  1.5577 11.188  2.0391  9.4582  2.4139 227.904 21.377 207.992 28.126 19.91206       35.32765 
1 1 1 -1  18 9  o 676.748 16.822 97.452  4.8212 99.529  6.8523  95.416  6.7845 682.279 23.715 667.960 23.984 14.31824       33.72918 
1 1 1 -1  18 10 o 361.725 17.390 27.830  2.6639 25.996  3.7406  29.718  3.7946 347.784 25.576 372.249 24.202 -24.46487      35.21226 
1 1 1 -1  18 11 o 668.753 26.848 95.529  7.6036 0.0000  0.0000  95.529  7.6036 ?       ?      668.753 26.848 0.000000       26.84780 
1 1 1 -1  18 12 o 1142.09 21.656 277.487 10.474 0.0000  0.0000  277.487 10.474 ?       ?      1142.09 21.656 0.000000       21.65550 
1 1 1 -1  18 13 o 619.039 15.596 81.310  4.0885 76.763  6.8696  83.804  5.0878 600.247 27.024 628.136 19.126 -27.88885      33.10789 
1 1 1 -1  18 14 o 903.138 20.709 173.286 7.9205 167.623 10.928  179.553 11.496 886.829 29.097 917.746 29.580 -30.91711      41.49241 
1 1 1 -1  18 15 o 530.158 19.522 59.692  4.3831 62.680  6.0153  56.309  6.3999 542.627 26.177 513.097 29.579 29.52917       39.49808 
1 1 1 -1  18 16 o 506.405 19.826 54.480  4.2519 57.263  5.8058  51.260  6.2443 517.836 26.564 489.231 30.288 28.60519       40.28629 
1 1 1 -1  18 17 o 519.529 20.077 57.366  4.4172 57.918  5.9853  56.706  6.5458 520.509 27.248 514.463 30.177 6.045593       40.65788 
1 1 1 -1  18 18 o 485.868 20.282 50.200  4.1732 53.476  5.6507  46.269  6.1898 499.979 26.785 463.992 31.690 35.98694       41.49323 
1 1 1 -1  18 19 o 402.507 20.657 34.561  3.5093 35.045  4.7247  33.965  5.2413 404.127 27.775 397.086 31.425 7.040314       41.94032 
1 1 1 -1  18 20 o 366.719 21.128 28.721  3.2674 28.466  4.4010  29.034  4.8772 363.755 28.805 366.782 31.711 -3.027527      42.84051 
1 1 1 -1  18 21 o 371.709 29.014 29.754  4.5311 29.754  4.5311  0.0000  0.0000 371.709 29.014 ?       ?      0.000000       29.01414 
1 1 1 -1  18 22 f 193.604 41.168 8.4472  3.2715 0.0000  0.0000  8.4472  3.2715 ?       ?      193.604 41.168 0.000000       41.16821 
1 1 1 -1  18 23 o 632.591 21.781 85.558  5.8351 82.652  7.8850  89.075  8.6757 619.062 30.076 641.933 31.913 -22.87140      43.85249 
1 1 1 -1  18 24 o 333.322 22.398 23.918  3.1434 25.309  4.2239  22.191  4.7059 340.901 29.550 317.019 35.672 23.88239       46.32146 
1 1 1 -1  18 25 o 442.103 29.947 42.602  5.5737 42.602  5.5737  0.0000  0.0000 442.103 29.947 ?       ?      0.000000       29.94657 
1 1 1 -1  18 26 o 373.797 22.618 30.208  3.5635 32.444  4.7996  27.461  5.3195 384.629 29.696 350.662 36.349 33.96680       46.93718 
1 1 1 -1  18 27 o 361.075 22.810 28.318  3.4700 30.885  4.6852  25.200  5.1645 373.879 29.839 333.662 37.181 40.21716       47.67397 
1 1 1 -1  18 28 o 198.951 26.777 8.8003  2.1987 5.7258  2.9218  12.815  3.3387 155.232 42.979 237.580 34.167 -82.34770      54.90484 
1 1 1 -1  18 29 o 147.858 39.571 5.2174  2.5267 5.2174  2.5267  0.0000  0.0000 147.858 39.571 ?       ?      0.000000       39.57123 
1 1 1 -1  18 30 o 102.379 39.288 1.8769  2.3900 0.0000  0.0000  1.8769  2.3900 ?       ?      102.379 39.288 0.000000       39.28808 
1 1 1 -1  19 1  o 395.617 14.176 33.265  2.3751 33.265  2.3751  0.0000  0.0000 395.617 14.176 ?       ?      0.000000       14.17620 
1 1 1 -1  19 2  o 362.913 14.618 28.001  2.2467 26.476  3.1658  29.549  3.1889 351.452 21.372 371.564 20.343 -20.11249      29.50543 
1 1 1 -1  19 3  o 538.128 11.857 61.486  2.7021 60.889  3.3116  62.675  4.6738 535.131 14.613 541.864 20.368 -6.733093      25.06722 
1 1 1 -1  19 4  o 206.635 15.193 9.1306  1.3202 8.7262  1.8017  9.5996  1.9400 200.976 21.502 210.796 22.059 -9.820145      30.80468 
1 1 1 -1  19 5  o 483.517 14.465 49.712  2.9620 44.793  4.0996  55.084  4.2843 457.886 21.142 508.023 19.914 -50.13666      29.04359 
1 1 1 -1  19 6  o 311.641 14.567 20.654  1.9225 21.060  2.6800  20.223  2.7595 313.414 20.301 306.892 21.366 6.521698       29.47218 
1 1 1 -1  19 7  o 550.444 12.758 64.359  2.9741 62.696  3.6830  67.474  5.0421 542.797 16.022 562.062 21.183 -19.26471      26.55975 
1 1 1 -1  19 8  o 908.094 14.673 175.292 5.6428 168.388 6.9822  188.295 9.5815 889.000 18.546 938.079 24.118 -49.07941      30.42438 
1 1 1 -1  19 9  o 621.323 13.789 81.987  3.6282 85.349  6.0850  80.133  4.5195 632.318 22.724 613.717 17.389 18.60126       28.61388 
1 1 1 -1  19 10 o 692.241 17.953 101.901 5.2632 0.0000  0.0000  101.901 5.2632 ?       ?      692.241 17.953 0.000000       17.95337 
1 1 1 -1  19 11 o 870.219 28.097 161.737 10.354 0.0000  0.0000  161.737 10.354 ?       ?      870.219 28.097 0.000000       28.09663 
1 1 1 -1  19 12 o 1042.95 16.956 230.933 7.4890 217.948 12.831  237.641 9.2228 1010.38 29.987 1057.33 20.597 -46.94806      36.37980 
1 1 1 -1  19 13 o 585.682 15.439 72.773  3.8294 73.098  6.3709  72.590  4.7915 585.994 25.672 584.622 19.353 1.372253       32.15007 
1 1 1 -1  19 14 o 520.926 19.105 57.622  4.2148 58.609  5.7778  56.499  6.1620 524.740 26.000 514.182 28.409 10.55896       38.51035 
1 1 1 -1  19 15 o 1023.47 21.570 222.633 9.3492 217.692 12.901  228.099 13.568 1010.24 30.155 1033.90 30.987 -23.65515      43.23801 
1 1 1 -1  19 16 o 623.208 19.842 82.524  5.2369 76.382  7.1241  89.745  7.7243 598.528 28.106 648.773 28.114 -50.24432      39.75380 
1 1 1 -1  19 17 o 603.731 20.129 77.487  5.1465 78.996  6.9703  75.677  7.6311 608.612 27.044 594.372 30.419 14.23969       40.70229 
1 1 1 -1  19 18 o 757.307 21.041 122.025 6.7482 124.224 9.1475  119.400 9.9955 762.613 28.324 746.868 31.602 15.74463       42.43749 
1 1 1 -1  19 19 o 345.263 21.199 25.469  3.0846 21.363  4.1147  30.737  4.6607 314.319 31.329 377.983 29.346 -63.66425      42.92698 
1 1 1 -1  19 20 o 731.171 28.946 114.374 8.9630 114.374 8.9630  0.0000  0.0000 731.171 28.946 ?       ?      0.000000       28.94607 
1 1 1 -1  19 21 o 763.765 21.668 124.338 7.0086 128.191 9.4939  119.723 10.390 773.501 28.983 746.263 32.875 27.23730       43.82690 
1 1 1 -1  19 22 o 956.475 33.867 197.660 13.718 0.0000  0.0000  197.660 13.718 ?       ?      956.475 33.867 0.000000       33.86655 
1 1 1 -1  19 23 o 509.550 21.271 55.523  4.5901 55.345  6.2015  55.738  6.8259 505.796 29.074 506.474 31.989 -0.6786499     43.22742 
1 1 1 -1  19 24 o 238.607 24.021 12.352  2.3943 10.911  3.1295  14.387  3.7182 221.237 34.530 254.365 35.483 -33.12796      49.51145 
1 1 1 -1  19 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  19 26 o 233.942 24.969 11.979  2.4355 12.024  3.1950  11.916  3.7627 231.443 33.578 227.595 40.524 3.847855       52.62804 
1 1 1 -1  19 27 o 261.810 24.174 15.002  2.6500 17.066  3.5583  12.430  3.9708 276.669 30.897 230.579 42.221 46.08969       52.31848 
1 1 1 -1  19 28 o 181.850 27.519 7.4073  2.0530 3.7883  2.6726  12.618  3.2068 129.088 42.339 235.931 32.998 -106.8430      53.67900 
1 1 1 -1  19 29 o 352.916 31.096 28.065  4.6001 28.065  4.6001  0.0000  0.0000 352.916 31.096 ?       ?      0.000000       31.09646 
1 1 1 -1  19 30 o 152.241 45.167 5.6853  3.1219 0.0000  0.0000  5.6853  3.1219 ?       ?      152.241 45.167 0.000000       45.16724 
1 1 1 -1  20 1  o 724.406 12.653 111.472 3.8817 117.437 6.7250  108.492 4.7535 741.329 21.421 714.038 15.720 27.29071       26.57019 
1 1 1 -1  20 2  o 497.475 12.042 52.556  2.5371 47.894  4.3726  54.922  3.1150 473.333 21.813 508.222 14.473 -34.88892      26.17827 
1 1 1 -1  20 3  o 161.660 16.530 5.6215  1.1158 6.8891  1.5908  4.3941  1.5654 178.286 21.503 140.691 27.258 37.59547       34.71828 
1 1 1 -1  20 4  o 723.354 12.730 111.163 3.8996 109.087 4.7753  115.319 6.7566 715.938 15.750 734.424 21.724 -18.48676      26.83271 
1 1 1 -1  20 5  o 368.474 12.348 28.839  1.9269 28.227  3.3432  29.143  2.3579 362.706 21.868 370.136 15.042 -7.430115      26.54184 
1 1 1 -1  20 6  o 223.370 13.780 10.644  1.2972 11.374  1.5438  8.8899  2.3923 230.661 15.902 201.323 28.887 29.33723       32.97469 
1 1 1 -1  20 7  o 203.223 14.824 8.8266  1.2670 7.8166  2.4079  9.2132  1.4899 188.054 31.338 207.337 17.121 -19.28386      35.71044 
1 1 1 -1  20 8  o 361.172 13.870 27.708  2.1215 31.013  3.8708  26.288  2.5364 380.155 24.169 351.521 17.038 28.63489       29.57109 
1 1 1 -1  20 9  f 377.189 14.393 30.213  2.2990 28.971  4.2407  30.730  2.7360 366.950 27.488 380.184 16.993 -13.23392      32.31695 
1 1 1 -1  20 10 o 1110.36 16.487 261.896 7.7525 250.595 13.155  267.910 9.5960 1082.63 28.692 1122.14 20.193 -39.50464      35.08514 
1 1 1 -1  20 11 o 200.678 19.866 8.6436  1.6661 8.3908  2.3315  8.9075  2.3818 196.202 28.928 202.335 28.593 -6.132660      40.67447 
1 1 1 -1  20 12 o 1084.95 17.018 249.872 7.8192 247.917 13.383  250.886 9.6348 1078.07 29.313 1086.46 20.940 -8.390747      36.02409 
1 1 1 -1  20 13 o 407.855 15.196 35.288  2.6247 34.567  4.3558  35.699  3.2889 402.172 25.709 410.016 18.941 -7.843414      31.93329 
1 1 1 -1  20 14 o 586.375 15.761 72.950  3.9138 74.429  6.4885  72.104  4.9069 591.293 25.912 582.623 19.887 8.670593       32.66395 
1 1 1 -1  20 15 o 978.107 21.194 203.350 8.7792 201.062 12.118  205.878 12.737 970.863 29.473 982.134 30.622 -11.27057      42.50137 
1 1 1 -1  20 16 o 572.907 19.672 69.751  4.7729 69.949  6.5533  69.527  6.9654 572.808 27.015 570.076 28.946 2.731384       39.59441 
1 1 1 -1  20 17 o 261.805 21.025 14.673  2.3115 13.939  3.1951  15.480  3.3481 253.592 30.355 267.481 30.079 -13.88835      42.73316 
1 1 1 -1  20 18 o 248.182 21.860 13.213  2.2741 16.161  3.1042  9.7989  3.3411 273.809 27.127 210.100 38.986 63.70921       47.49514 
1 1 1 -1  20 19 o 499.831 20.573 53.172  4.3547 57.091  5.9263  48.571  6.4204 516.244 27.203 474.941 32.110 41.30292       42.08398 
1 1 1 -1  20 20 o 861.520 29.582 158.943 10.793 158.943 10.793  0.0000  0.0000 861.520 29.582 ?       ?      0.000000       29.58151 
1 1 1 -1  20 21 o 326.899 33.219 23.236  4.5349 0.0000  0.0000  23.236  4.5349 ?       ?      326.899 33.219 0.000000       33.21917 
1 1 1 -1  20 22 o 882.489 22.248 166.481 8.3146 157.371 11.219  177.583 12.385 854.197 31.014 906.718 32.253 -52.52161      44.74456 
1 1 1 -1  20 23 o 303.474 21.998 19.822  2.8079 20.178  3.7617  19.374  4.2197 304.246 29.569 296.637 34.217 7.609192       45.22342 
1 1 1 -1  20 24 o 225.151 23.953 11.018  2.2488 11.085  2.9632  10.926  3.4535 223.580 32.226 219.943 38.479 3.636917       50.19101 
1 1 1 -1  20 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  20 26 o 584.615 21.960 73.762  5.4367 72.077  7.2686  75.902  8.1913 572.478 30.086 585.170 33.191 -12.69153      44.79757 
1 1 1 -1  20 27 o 587.765 22.226 74.795  5.5323 68.313  7.4038  82.988  8.3245 554.721 31.648 610.987 32.287 -56.26660      45.21068 
1 1 1 -1  20 28 o 262.228 33.083 15.598  3.5921 15.598  3.5921  0.0000  0.0000 262.228 33.083 ?       ?      0.000000       33.08285 
1 1 1 -1  20 29 o 379.648 22.800 31.600  3.6488 27.216  4.8228  37.467  5.5799 345.564 33.370 406.402 32.697 -60.83765      46.71950 
1 1 1 -1  21 1  o 405.073 11.684 34.843  2.0043 35.598  3.4418  34.456  2.4654 408.336 19.903 402.509 14.463 5.826813       24.60332 
1 1 1 -1  21 2  o 393.399 12.339 32.875  2.0557 31.186  3.5417  33.733  2.5245 381.215 22.032 398.201 14.970 -16.98645      26.63654 
1 1 1 -1  21 3  o 661.435 12.544 92.939  3.5136 101.212 6.1236  88.878  4.2901 688.239 21.010 646.237 15.676 42.00281       26.21350 
1 1 1 -1  21 4  o 587.843 12.368 73.396  3.0791 82.785  5.4059  68.887  3.7461 622.647 20.501 568.995 15.546 53.65131       25.72931 
1 1 1 -1  21 5  o 451.823 12.398 43.356  2.3723 42.817  4.0945  43.628  2.9106 447.657 21.598 452.903 15.175 -5.245911      26.39608 
1 1 1 -1  21 6  o 271.547 16.445 15.748  1.8822 16.071  2.7183  15.450  2.6088 273.083 23.741 267.824 23.231 5.259003       33.21665 
1 1 1 -1  21 7  o 560.867 13.282 66.803  3.1548 70.217  5.7294  65.318  3.7793 573.226 23.602 554.219 16.102 19.00708       28.57120 
1 1 1 -1  21 8  o 236.644 12.551 11.918  1.2533 11.799  1.7616  12.041  1.7836 234.841 17.846 237.245 17.883 -2.403961      25.26465 
1 1 1 -1  21 9  o 499.643 11.961 52.954  2.5308 52.352  3.5609  53.569  3.5975 496.352 16.941 502.089 16.919 -5.736755      23.94239 
1 1 1 -1  21 10 o 508.743 14.170 54.920  3.0529 54.559  5.0033  55.134  3.8535 506.154 23.342 509.416 17.862 -3.262268      29.39202 
1 1 1 -1  21 11 o 1123.94 20.771 268.541 9.8867 268.979 13.569  268.046 14.435 1122.91 28.534 1120.39 30.423 2.513672       41.71004 
1 1 1 -1  21 12 o 1178.86 17.521 295.010 8.7470 273.156 14.903  306.494 10.804 1131.29 31.107 1200.88 21.244 -69.58618      37.66838 
1 1 1 -1  21 13 o 809.225 15.993 138.943 5.4809 126.116 9.1553  146.109 6.8425 769.332 28.101 829.420 19.480 -60.08868      34.19264 
1 1 1 -1  21 14 o 534.249 18.746 60.613  4.2413 53.522  5.7973  68.779  6.2212 500.454 27.459 568.355 25.847 -67.90128      37.71026 
1 1 1 -1  21 15 o 439.558 19.079 41.045  3.5516 42.681  4.8630  39.176  5.1993 446.892 25.805 427.581 28.883 19.31113       38.73145 
1 1 1 -1  21 16 o 646.364 19.757 88.809  5.4081 86.302  7.4119  91.663  7.9087 636.016 27.518 655.295 28.499 -19.27942      39.61582 
1 1 1 -1  21 17 o 263.741 21.144 14.895  2.3418 15.430  3.2494  14.318  3.3779 267.143 29.198 256.725 31.746 10.41791       43.13168 
1 1 1 -1  21 18 o 222.373 23.425 10.654  2.1728 13.802  3.0530  7.4219  3.0931 252.418 29.093 181.901 41.119 70.51695       50.37005 
1 1 1 -1  21 19 o 904.508 29.770 175.156 11.403 175.156 11.403  0.0000  0.0000 904.508 29.770 ?       ?      0.000000       29.76965 
1 1 1 -1  21 20 o 514.724 20.754 56.433  4.5240 54.615  6.1221  58.620  6.7147 504.198 28.791 521.964 30.510 -17.76566      41.94970 
1 1 1 -1  21 21 o 522.654 31.407 59.006  6.9194 0.0000  0.0000  59.006  6.9194 ?       ?      522.654 31.407 0.000000       31.40730 
1 1 1 -1  21 22 o 298.410 22.703 19.167  2.8476 17.177  3.8154  21.668  4.2784 279.885 32.812 314.832 32.560 -34.94632      46.22559 
1 1 1 -1  21 23 o 438.363 21.083 41.143  3.9140 40.409  5.2389  42.071  5.8882 431.466 28.838 439.111 31.881 -7.644318      42.98868 
1 1 1 -1  21 24 o 247.975 23.246 13.332  2.4127 12.384  3.1305  14.718  3.7866 236.422 32.096 256.803 35.791 -20.38069      48.07436 
1 1 1 -1  21 25 o 238.209 37.027 12.825  3.6139 0.0000  0.0000  12.825  3.6139 ?       ?      238.209 37.027 0.000000       37.02664 
1 1 1 -1  21 26 o 187.294 25.798 7.7679  1.9919 8.3962  2.5970  6.8702  3.1044 192.338 33.076 170.358 43.020 21.98009       54.26562 
1 1 1 -1  21 27 o 325.815 35.846 24.073  4.8642 0.0000  0.0000  24.073  4.8642 ?       ?      325.815 35.846 0.000000       35.84614 
1 1 1 -1  21 28 o 268.506 31.760 16.319  3.5414 16.319  3.5414  0.0000  0.0000 268.506 31.760 ?       ?      0.000000       31.75978 
1 1 1 -1  21 29 o 347.046 36.464 27.879  5.2790 0.0000  0.0000  27.879  5.2790 ?       ?      347.046 36.464 0.000000       36.46367 
1 1 1 -1  22 1  o 512.628 10.337 55.764  2.2441 56.670  3.1828  54.868  3.1647 516.231 14.558 507.936 14.712 8.294708       20.69770 
1 1 1 -1  22 2  o 280.251 13.134 16.688  1.5588 15.174  2.6255  17.512  1.9372 265.210 23.623 286.405 16.036 -21.19427      28.55187 
1 1 1 -1  22 3  o 633.966 10.785 85.297  2.8955 84.616  4.0877  85.983  4.1019 630.701 15.304 635.791 15.235 -5.090393      21.59418 
1 1 1 -1  22 4  o 239.779 11.375 12.204  1.1550 13.447  1.6804  11.091  1.5903 250.906 15.897 227.665 16.609 23.24146       22.99042 
1 1 1 -1  22 5  o 623.451 11.030 82.482  2.9121 81.589  4.0905  83.399  4.1468 619.400 15.594 626.224 15.637 -6.823425      22.08352 
1 1 1 -1  22 6  o 477.082 15.668 48.388  3.1657 42.581  4.5360  53.902  4.4200 445.687 24.123 502.772 20.759 -57.08582      31.82518 
1 1 1 -1  22 7  o 308.149 11.240 20.144  1.4668 19.630  2.1011  20.632  2.0485 303.438 16.412 311.599 15.524 -8.161194      22.59048 
1 1 1 -1  22 8  f 354.507 11.750 26.658  1.7640 28.406  2.5282  24.999  2.4623 365.650 16.327 342.977 16.953 22.67258       23.53633 
1 1 1 -1  22 9  o 363.433 12.093 28.013  1.8612 24.826  2.5989  31.368  2.6666 341.329 18.044 384.322 16.384 -42.99304      24.37224 
1 1 1 -1  22 10 o 485.977 14.030 50.103  2.8874 51.941  4.7335  49.013  3.6438 494.070 22.623 480.380 17.911 13.68936       28.85503 
1 1 1 -1  22 11 o 638.587 17.692 86.580  4.7844 79.785  6.4853  94.695  7.0871 612.197 25.015 666.942 25.092 -54.74487      35.43078 
1 1 1 -1  22 12 o 431.854 14.565 39.558  2.6637 38.249  4.3955  40.318  3.3486 423.260 24.629 435.775 18.145 -12.51495      30.59091 
1 1 1 -1  22 13 o 891.094 19.753 168.679 7.4543 168.038 10.299  169.384 10.803 888.084 27.383 891.378 28.619 -3.294617      39.60918 
1 1 1 -1  22 14 o 522.390 18.702 57.961  4.1375 52.857  5.6612  63.814  6.0619 497.317 26.981 547.326 26.153 -50.00906      37.57577 
1 1 1 -1  22 15 o 500.727 16.041 53.222  3.4015 56.338  5.4916  51.282  4.3327 514.246 25.216 491.102 20.833 23.14417       32.70881 
1 1 1 -1  22 16 o 372.502 17.151 29.474  2.7056 27.831  4.2603  30.584  3.5027 359.945 28.174 378.449 21.949 -18.50409      35.71447 
1 1 1 -1  22 17 o 462.557 19.417 45.504  3.8036 41.485  5.1697  50.247  5.6164 439.776 27.902 484.247 27.500 -44.47116      39.17674 
1 1 1 -1  22 18 o 650.147 27.611 90.349  7.6020 90.349  7.6020  0.0000  0.0000 650.147 27.611 ?       ?      0.000000       27.61052 
1 1 1 -1  22 19 o 267.387 21.522 15.327  2.4165 16.662  3.2538  13.685  3.6085 277.725 28.049 249.911 35.060 27.81444       44.89948 
1 1 1 -1  22 20 o 480.180 30.882 49.714  6.2465 0.0000  0.0000  49.714  6.2465 ?       ?      480.180 30.882 0.000000       30.88157 
1 1 1 -1  22 21 o 347.745 21.574 25.924  3.1615 22.448  4.2413  30.271  4.7427 321.164 31.592 373.776 30.220 -52.61160      43.71898 
1 1 1 -1  22 22 o 617.555 21.098 81.573  5.5177 77.849  7.4306  86.149  8.2380 600.537 29.217 631.060 30.825 -30.52338      42.47184 
1 1 1 -1  22 23 o 313.234 22.401 21.157  2.9519 18.917  3.9214  24.085  4.4843 293.289 32.096 331.215 32.384 -37.92624      45.59425 
1 1 1 -1  22 24 o 419.498 21.296 37.868  3.7709 32.430  4.9475  45.406  5.8251 384.811 30.612 455.829 30.349 -71.01813      43.10699 
1 1 1 -1  22 25 o 230.287 38.110 12.095  3.5867 0.0000  0.0000  12.095  3.5867 ?       ?      230.287 38.110 0.000000       38.11027 
1 1 1 -1  22 26 o 279.776 22.821 17.068  2.6803 16.681  3.4874  17.627  4.1895 273.447 30.642 278.380 36.409 -4.932861      47.58726 
1 1 1 -1  22 27 o 519.129 21.851 58.424  4.8039 52.907  6.3527  65.793  7.3416 487.514 30.930 542.850 32.078 -55.33539      44.56061 
1 1 1 -1  22 28 o 150.021 37.100 5.3462  2.3439 5.3462  2.3439  0.0000  0.0000 150.021 37.100 ?       ?      0.000000       37.10046 
1 1 1 -1  22 29 o 203.481 40.878 9.9724  3.4003 0.0000  0.0000  9.9724  3.4003 ?       ?      203.481 40.878 0.000000       40.87775 
1 1 1 -1  23 1  o 241.916 11.394 12.422  1.1673 12.311  1.6554  12.532  1.6464 239.972 16.387 242.153 16.147 -2.180878      23.00589 
1 1 1 -1  23 2  o 380.137 10.958 30.666  1.7641 29.032  2.4599  32.396  2.5313 369.439 15.723 390.301 15.315 -20.86139      21.94877 
1 1 1 -1  23 3  o 421.502 10.517 37.694  1.8774 37.012  2.6540  38.377  2.6560 417.246 15.020 424.897 14.761 -7.650604      21.05870 
1 1 1 -1  23 4  o 516.023 10.572 56.490  2.3103 56.999  3.2536  55.973  3.2811 517.868 14.835 513.149 15.099 4.718689       21.16734 
1 1 1 -1  23 5  o 547.539 12.591 63.641  2.9195 64.563  3.5719  61.786  5.0673 551.159 15.303 538.068 22.238 13.09070       26.99470 
1 1 1 -1  23 6  o 101.424 29.434 2.2500  1.3386 2.6368  1.7971  1.7680  2.0062 110.930 34.548 99.964  36.465 10.96616       50.23187 
1 1 1 -1  23 7  o 758.372 11.865 121.999 3.8106 126.396 5.3923  117.614 5.3859 771.268 16.509 743.898 17.096 27.36975       23.76609 
1 1 1 -1  23 8  o 454.864 11.438 43.875  2.2033 44.894  3.1012  42.836  3.1308 459.798 15.926 449.096 16.462 10.70224       22.90481 
1 1 1 -1  23 9  o 644.391 12.157 88.054  3.3174 87.091  4.6646  89.039  4.7191 640.392 17.200 647.512 17.209 -7.119629      24.33091 
1 1 1 -1  23 10 o 807.260 14.671 138.252 5.0156 128.968 8.2928  143.608 6.2981 778.237 25.162 822.337 18.085 -44.09967      30.98696 
1 1 1 -1  23 11 o 639.708 17.676 86.878  4.7885 87.951  6.4652  85.574  7.1270 642.972 23.744 633.852 26.551 9.120972       35.61873 
1 1 1 -1  23 12 o 467.067 17.591 46.311  3.4794 47.949  4.6788  44.286  5.2045 474.795 23.269 455.141 27.125 19.65408       35.73790 
1 1 1 -1  23 13 o 730.733 18.857 113.414 5.8356 117.978 8.0278  108.301 8.4979 744.347 25.467 712.724 28.154 31.62244       37.96348 
1 1 1 -1  23 14 f 304.213 16.447 19.703  2.1110 19.913  3.2907  19.555  2.7520 304.654 25.747 302.474 21.626 2.179932       33.62436 
1 1 1 -1  23 15 o 625.226 15.828 82.987  4.1908 77.234  6.8943  86.358  5.2778 601.675 27.057 637.367 19.553 -35.69269      33.38316 
1 1 1 -1  23 16 o 483.382 16.592 49.631  3.3966 45.617  5.4386  52.198  4.3490 461.274 27.973 495.292 20.734 -34.01758      34.81934 
1 1 1 -1  23 17 o 212.846 24.516 9.7883  2.1695 12.063  2.5400  3.6535  4.1714 236.353 25.796 142.901 52.512 93.45204       58.50541 
1 1 1 -1  23 18 o 424.283 27.801 38.655  4.9677 38.655  4.9677  0.0000  0.0000 424.283 27.801 ?       ?      0.000000       27.80104 
1 1 1 -1  23 19 f 288.820 31.472 18.108  3.7871 0.0000  0.0000  18.108  3.7871 ?       ?      288.820 31.472 0.000000       31.47208 
1 1 1 -1  23 20 o 113.678 31.021 2.8694  1.5351 0.8233  2.1505  4.9948  2.1918 90.391  36.457 149.148 35.258 -58.75771      50.71674 
1 1 1 -1  23 21 o 224.624 24.066 10.929  2.2537 12.126  3.1240  9.6307  3.2543 234.766 32.276 207.081 38.526 27.68440       50.25920 
1 1 1 -1  23 22 o 495.588 20.970 52.570  4.4010 53.560  5.9331  51.360  6.5624 497.294 28.289 485.383 32.107 11.91132       42.79152 
1 1 1 -1  23 23 o 221.704 24.728 10.712  2.2821 11.355  3.0300  9.8690  3.4692 226.088 32.588 207.825 40.873 18.26291       52.27423 
1 1 1 -1  23 24 o 255.844 23.283 14.215  2.4950 13.576  3.2848  15.086  3.8361 247.221 32.134 259.396 35.881 -12.17487      48.16724 
1 1 1 -1  23 25 o 124.521 32.369 3.5485  1.7227 3.8446  2.3029  3.1723  2.5958 129.647 38.868 121.682 41.752 7.964676       57.04387 
1 1 1 -1  23 26 o 149.102 27.398 5.0114  1.6662 4.6463  2.1716  5.5340  2.5981 141.215 36.157 153.243 39.711 -12.02811      53.70545 
1 1 1 -1  23 27 o 372.869 29.944 31.016  4.6884 31.016  4.6884  0.0000  0.0000 372.869 29.944 ?       ?      0.000000       29.94370 
1 1 1 -1  23 28 o 114.342 31.465 3.0385  1.5716 3.2325  1.9975  2.7233  2.5461 117.929 36.373 113.566 41.132 4.362099       54.90792 
1 1 1 -1  23 29 o 229.468 40.018 12.576  3.7475 0.0000  0.0000  12.576  3.7475 ?       ?      229.468 40.018 0.000000       40.01820 
1 1 1 -1  24 1  o 471.300 10.565 47.121  2.1087 47.539  2.9678  46.694  2.9967 472.964 14.817 468.711 15.097 4.253113       21.15350 
1 1 1 -1  24 2  o 734.160 11.354 114.369 3.5302 113.783 4.9639  114.970 5.0215 731.511 16.024 735.297 16.126 -3.786194      22.73327 
1 1 1 -1  24 3  o 366.939 10.804 28.563  1.6789 29.243  2.3679  27.876  2.3807 370.954 15.073 362.142 15.523 8.812195       21.63727 
1 1 1 -1  24 4  o 952.385 12.267 192.490 4.9475 189.358 6.9815  195.650 7.0123 943.521 17.473 959.121 17.264 -15.60028      24.56298 
1 1 1 -1  24 5  o 435.739 10.896 40.269  2.0107 40.209  2.8782  40.326  2.8102 435.042 15.622 435.711 15.230 -0.6687927     21.81744 
1 1 1 -1  24 6  o 585.357 13.053 72.707  3.2357 75.994  5.6963  71.141  3.9316 597.190 22.523 578.706 16.042 18.48456       27.65254 
1 1 1 -1  24 7  o 171.494 15.001 6.2906  1.0785 5.7623  1.4353  6.9756  1.6345 163.196 21.274 179.707 21.933 -16.51154      30.55516 
1 1 1 -1  24 8  o 506.184 11.449 54.325  2.4543 52.330  3.4833  56.292  3.4587 496.445 16.568 514.956 15.860 -18.51080      22.93575 
1 1 1 -1  24 9  o 406.764 11.906 35.080  2.0509 33.553  2.9042  36.600  2.8968 397.527 17.251 415.236 16.473 -17.70929      23.85286 
1 1 1 -1  24 10 o 486.966 12.456 50.279  2.5688 49.830  3.6307  50.730  3.6350 484.456 17.697 488.824 17.559 -4.367340      24.93019 
1 1 1 -1  24 11 o 315.699 17.677 21.225  2.3538 20.749  3.1494  21.827  3.5427 311.359 24.072 319.053 26.459 -7.693939      35.77028 
1 1 1 -1  24 12 f 1308.37 18.012 363.491 9.9800 350.169 16.830  370.716 12.394 1280.66 31.032 1320.36 22.166 -39.70874      38.13541 
1 1 1 -1  24 13 o 620.112 15.058 81.594  3.9544 84.894  6.5310  79.685  4.9688 631.450 24.423 612.417 19.159 19.03326       31.04059 
1 1 1 -1  24 14 o 509.042 15.499 55.001  3.3411 54.140  5.4207  55.528  4.2428 503.371 25.512 511.108 19.602 -7.737152      32.17292 
1 1 1 -1  24 15 o 281.990 18.228 16.969  2.1651 12.783  3.3370  20.013  2.8452 242.001 33.456 305.815 22.118 -63.81465      40.10649 
1 1 1 -1  24 16 o 432.699 20.276 39.841  3.7155 40.494  4.8482  38.911  5.7839 434.698 26.462 424.814 32.394 9.883850       41.82821 
1 1 1 -1  24 17 f 449.919 20.060 43.084  3.8222 46.960  4.9936  37.600  5.9395 468.355 25.270 417.014 33.926 51.34122       42.30339 
1 1 1 -1  24 18 o 292.435 24.229 18.372  2.9736 0.0000  0.0000  18.372  2.9736 ?       ?      292.435 24.229 0.000000       24.22904 
1 1 1 -1  24 19 o 390.944 30.300 32.996  4.9773 0.0000  0.0000  32.996  4.9773 ?       ?      390.944 30.300 0.000000       30.30004 
1 1 1 -1  24 20 o 231.571 22.604 11.567  2.1885 10.677  2.9902  12.595  3.2117 220.048 33.114 239.516 32.503 -19.46811      46.40002 
1 1 1 -1  24 21 o 685.208 21.032 100.409 6.1029 101.594 8.2430  98.970  9.0791 686.475 28.354 676.043 31.712 10.43268       42.53973 
1 1 1 -1  24 22 o 86.508  31.151 1.3836  1.4575 0.7198  2.0337  2.0843  2.0897 86.740  35.285 104.393 37.332 -17.65308      51.36807 
1 1 1 -1  24 23 f 286.927 22.649 17.806  2.7297 15.067  3.6816  21.149  4.0682 260.217 34.240 310.030 31.419 -49.81290      46.47047 
1 1 1 -1  24 24 o 184.891 36.217 7.8044  2.7344 7.8044  2.7344  0.0000  0.0000 184.891 36.217 ?       ?      0.000000       36.21748 
1 1 1 -1  24 25 o 141.282 30.447 4.5542  1.7680 2.4308  2.3768  7.1846  2.6454 110.316 39.774 176.171 36.652 -65.85475      54.08614 
1 1 1 -1  24 26 o 185.421 26.994 7.6793  2.0575 7.3728  2.7550  8.0658  3.0938 177.556 37.799 184.714 40.653 -7.157532      55.51017 
1 1 1 -1  24 27 o 404.627 29.723 36.603  5.0576 36.603  5.0576  0.0000  0.0000 404.627 29.723 ?       ?      0.000000       29.72298 
1 1 1 -1  24 28 o 156.416 46.233 6.0902  3.2757 0.0000  0.0000  6.0902  3.2757 ?       ?      156.416 46.233 0.000000       46.23310 
1 1 1 -1  25 1  o 331.598 10.934 23.323  1.5354 25.888  2.1772  20.785  2.1657 349.116 14.726 312.270 16.435 36.84540       22.06710 
1 1 1 -1  25 2  o 310.292 11.837 20.427  1.5554 19.763  2.1573  21.146  2.2446 304.444 16.798 314.936 16.891 -10.49237      23.82162 
1 1 1 -1  25 3  o 146.764 15.272 4.6244  0.9353 5.1766  1.3202  4.0679  1.3252 154.560 20.688 136.134 23.857 18.42554       31.57744 
1 1 1 -1  25 4  o 810.922 11.634 139.484 3.9954 139.320 5.6446  139.649 5.6560 809.743 16.460 810.695 16.474 -0.9520264     23.28848 
1 1 1 -1  25 5  o 311.113 11.360 20.527  1.4967 22.832  2.2032  18.551  2.0395 327.880 15.867 295.066 16.386 32.81393       22.80934 
1 1 1 -1  25 6  o 430.727 13.575 39.363  2.4762 36.209  4.3392  40.887  3.0154 411.369 25.027 438.794 16.227 -27.42450      29.82731 
1 1 1 -1  25 7  o 969.070 12.869 199.179 5.2813 188.955 7.4093  209.739 7.5299 943.028 18.553 993.659 17.894 -50.63104      25.77584 
1 1 1 -1  25 8  o 766.428 12.179 124.553 3.9530 127.403 5.5950  121.711 5.5858 774.638 17.055 757.093 17.422 17.54565       24.38027 
1 1 1 -1  25 9  o 663.123 14.153 93.274  3.9745 90.601  4.7821  99.246  7.1472 653.270 17.285 682.800 24.717 -29.53009      30.16173 
1 1 1 -1  25 10 o 864.220 15.405 158.467 5.6380 152.138 6.8056  172.313 10.066 846.344 18.988 899.426 26.428 -53.08185      32.54157 
1 1 1 -1  25 11 o 461.806 14.126 45.237  2.7627 42.974  4.4036  46.705  3.5478 448.850 23.246 468.998 17.862 -20.14813      29.31646 
1 1 1 -1  25 12 o 848.102 15.347 152.634 5.5120 153.292 9.1355  152.258 6.9119 848.321 25.429 846.525 19.280 1.796326       31.91178 
1 1 1 -1  25 13 o 557.653 14.891 65.992  3.5167 63.975  5.7025  67.231  4.4673 548.027 24.571 562.499 18.753 -14.47156      30.90999 
1 1 1 -1  25 14 o 232.270 18.661 11.540  1.8201 12.327  2.7789  10.949  2.4086 238.666 28.027 225.153 25.722 13.51277       38.04150 
1 1 1 -1  25 15 o 192.822 27.217 8.0944  2.1607 8.2393  2.5508  7.7263  4.0653 193.570 32.251 185.192 50.461 8.378052       59.88695 
1 1 1 -1  25 16 o 1029.58 21.425 225.770 9.3419 229.788 12.782  221.164 13.687 1036.16 29.130 1015.48 31.826 20.67871       43.14477 
1 1 1 -1  25 17 o 442.075 21.548 41.636  4.0341 0.0000  0.0000  41.636  4.0341 ?       ?      442.075 21.548 0.000000       21.54785 
1 1 1 -1  25 18 o 643.831 21.207 88.334  5.7822 0.0000  0.0000  88.334  5.7822 ?       ?      643.831 21.207 0.000000       21.20702 
1 1 1 -1  25 19 o 580.598 17.162 71.729  4.2197 72.878  6.6940  70.971  5.4356 583.105 27.108 576.563 22.262 6.541992       35.07740 
1 1 1 -1  25 20 o 590.768 20.380 74.530  5.0988 69.754  6.9255  80.183  7.5345 568.421 28.865 610.070 29.163 -41.64893      41.03200 
1 1 1 -1  25 21 f 370.914 20.897 29.536  3.2691 25.832  4.4021  34.090  4.8814 344.082 30.528 396.045 29.312 -51.96283      42.32174 
1 1 1 -1  25 22 o 138.656 28.709 4.3121  1.6303 4.0195  2.1882  4.6771  2.4440 133.179 37.309 143.161 39.174 -9.982101      54.09776 
1 1 1 -1  25 23 o 340.716 21.574 25.044  3.0968 24.217  4.1861  26.045  4.6025 332.134 30.088 343.763 31.982 -11.62860      43.91040 
1 1 1 -1  25 24 f 128.535 39.126 3.7564  2.3206 3.7564  2.3206  0.0000  0.0000 128.535 39.126 ?       ?      0.000000       39.12597 
1 1 1 -1  25 25 o 129.058 31.248 3.8291  1.6896 5.3109  2.4128  2.4033  2.3668 150.505 37.883 109.621 39.665 40.88434       54.84895 
1 1 1 -1  25 26 o 346.784 30.256 26.849  4.3989 26.849  4.3989  0.0000  0.0000 346.784 30.256 ?       ?      0.000000       30.25609 
1 1 1 -1  25 27 o 158.936 28.589 5.7666  1.8535 5.6975  2.5431  5.8449  2.7070 154.049 38.957 155.451 40.657 -1.402039      56.30852 
1 1 1 -1  25 28 o 177.005 47.613 7.9335  3.6470 0.0000  0.0000  7.9335  3.6470 ?       ?      177.005 47.613 0.000000       47.61315 
1 1 1 -1  26 1  o 336.220 11.097 23.973  1.5800 25.717  2.2471  22.268  2.2221 347.997 15.248 323.355 16.279 24.64246       22.30475 
1 1 1 -1  26 2  o 342.935 11.534 24.943  1.6751 23.730  2.3817  26.130  2.3564 333.760 16.905 350.750 15.863 -16.98981      23.18266 
1 1 1 -1  26 3  o 210.941 12.799 9.4745  1.1379 9.3574  1.6091  9.5917  1.6095 209.009 18.365 211.658 18.131 -2.648315      25.80739 
1 1 1 -1  26 4  o 596.916 10.937 75.548  2.7648 76.275  3.9376  74.840  3.8829 599.378 15.513 593.721 15.443 5.657837       21.88900 
1 1 1 -1  26 5  o 256.448 14.567 14.001  1.5755 14.267  2.0320  13.601  2.4947 258.431 18.692 251.608 23.692 6.823349       30.17777 
1 1 1 -1  26 6  o 455.606 13.214 44.029  2.5495 47.154  4.4837  42.536  3.0993 470.727 22.492 447.611 16.350 23.11520       27.80636 
1 1 1 -1  26 7  o 532.227 13.135 60.076  2.9606 60.337  3.5854  59.516  5.2488 533.187 15.879 528.821 23.437 4.365356       28.30983 
1 1 1 -1  26 8  o 733.032 14.055 113.978 4.3633 112.174 5.2774  117.875 7.7565 726.897 17.144 744.116 24.614 -17.21924      29.99595 
1 1 1 -1  26 9  o 914.271 13.211 177.264 5.1151 171.114 7.2400  183.393 7.2276 897.541 19.048 929.287 18.365 -31.74683      26.45943 
1 1 1 -1  26 10 o 650.446 13.900 89.739  3.8289 87.591  6.2886  91.004  4.8268 641.643 23.143 654.696 17.409 -13.05334      28.95951 
1 1 1 -1  26 11 o 288.648 15.418 17.731  1.8779 17.230  2.9891  18.058  2.4136 283.332 25.174 290.842 19.712 -7.510193      31.97359 
1 1 1 -1  26 12 o 240.693 16.776 12.360  1.6993 9.7161  2.5730  14.406  2.2631 211.303 29.563 259.462 20.770 -48.15939      36.12947 
1 1 1 -1  26 13 o 615.756 17.954 80.563  4.6819 82.427  6.3039  78.270  6.9917 622.004 23.932 605.564 27.264 16.43988       36.27710 
1 1 1 -1  26 14 f 248.069 21.028 13.191  2.1883 14.869  2.6815  9.8432  3.7864 262.981 24.354 209.481 44.077 53.50006       50.35746 
1 1 1 -1  26 15 o 163.473 30.531 5.9048  2.0359 4.3792  2.4391  9.4092  3.6968 140.459 39.404 204.587 43.976 -64.12816      59.04718 
1 1 1 -1  26 16 o 672.828 20.367 96.386  5.8034 0.0000  0.0000  96.386  5.8034 ?       ?      672.828 20.367 0.000000       20.36730 
1 1 1 -1  26 17 o 859.978 21.266 157.583 7.7450 0.0000  0.0000  157.583 7.7450 ?       ?      859.978 21.266 0.000000       21.26620 
1 1 1 -1  26 18 o 831.163 17.270 146.955 6.0789 140.562 9.9330  150.783 7.6864 809.518 28.974 840.834 21.586 -31.31610      36.13108 
1 1 1 -1  26 19 o 305.146 18.732 19.919  2.4089 18.785  3.6507  20.794  3.2059 294.006 29.730 310.683 24.567 -16.67685      38.56648 
1 1 1 -1  26 20 o 279.656 21.836 16.839  2.5656 17.667  3.5331  15.914  3.7316 284.534 29.762 268.811 33.507 15.72336       44.81584 
1 1 1 -1  26 21 o 128.965 30.027 3.7463  1.6093 6.0158  2.3010  1.5731  2.2516 163.112 34.393 99.783  38.171 63.32896       51.38034 
1 1 1 -1  26 22 o 105.115 31.242 2.4468  1.4927 4.0623  2.0731  0.7078  2.1509 133.599 35.882 88.331  36.149 45.26818       50.93391 
1 1 1 -1  26 23 o 78.674  30.482 0.9024  1.4489 2.4930  2.0326  -0.7408 2.0659 109.014 36.950 73.065  32.651 35.94964       49.30902 
1 1 1 -1  26 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  26 25 o 206.592 35.635 9.8270  3.0051 9.8270  3.0051  0.0000  0.0000 206.592 35.635 ?       ?      0.000000       35.63511 
1 1 1 -1  26 26 o 478.835 29.359 51.057  5.9247 51.057  5.9247  0.0000  0.0000 478.835 29.359 ?       ?      0.000000       29.35875 
1 1 1 -1  26 27 o 118.796 44.317 2.9396  2.9917 0.0000  0.0000  2.9396  2.9917 ?       ?      118.796 44.317 0.000000       44.31652 
1 1 1 -1  26 28 o 270.263 24.964 16.259  2.8249 15.268  3.6266  17.789  4.5049 256.501 34.241 272.894 40.183 -16.39249      52.79352 
1 1 1 -1  27 1  o 616.668 11.074 80.629  2.8920 79.547  4.0913  81.710  4.0885 612.097 15.783 620.387 15.562 -8.289795      22.16472 
1 1 1 -1  27 2  o 723.079 13.300 110.919 4.0728 109.100 4.9778  114.602 7.0837 716.774 16.399 733.650 22.800 -16.87604      28.08463 
1 1 1 -1  27 3  o 460.734 11.068 45.006  2.1595 45.613  3.0547  44.398  3.0533 463.546 15.561 457.316 15.766 6.229736       22.15152 
1 1 1 -1  27 4  o 183.959 16.234 7.2402  1.2518 6.8846  1.5859  7.8277  2.0387 178.648 21.387 189.892 26.037 -11.24432      33.69464 
1 1 1 -1  27 5  o 712.628 16.411 107.811 4.9528 107.811 4.9528  0.0000  0.0000 712.628 16.411 ?       ?      0.000000       16.41141 
1 1 1 -1  27 6  o 340.602 13.402 24.605  1.9331 23.260  2.3587  27.355  3.3735 330.575 16.905 357.920 22.369 -27.34552      28.03827 
1 1 1 -1  27 7  o 282.447 12.474 16.916  1.4921 17.113  2.0319  16.686  2.1983 283.409 17.008 279.660 18.669 3.749695       25.25452 
1 1 1 -1  27 8  o 444.913 13.339 41.980  2.5134 38.678  4.1174  43.942  3.1731 425.794 22.918 455.000 16.468 -29.20560      28.22121 
1 1 1 -1  27 9  o 787.894 14.260 131.689 4.7580 128.931 7.8751  133.274 5.9709 778.310 23.893 792.218 17.797 -13.90790      29.79255 
1 1 1 -1  27 10 o 359.698 12.675 27.437  1.9307 26.444  2.7301  28.431  2.7308 352.361 18.359 365.896 17.624 -13.53497      25.44886 
1 1 1 -1  27 11 o 547.502 14.238 63.601  3.3012 65.812  5.3316  62.226  4.2040 556.085 22.640 541.191 18.343 14.89331       29.13798 
1 1 1 -1  27 12 o 1058.59 19.605 238.263 8.7890 206.481 12.080  274.013 12.812 983.054 29.016 1133.24 26.696 -150.1863      39.42794 
1 1 1 -1  27 13 o 242.732 20.354 12.623  2.0730 12.957  2.5072  11.902  3.6856 245.319 24.459 232.066 38.877 13.25267       45.93113 
1 1 1 -1  27 14 o 491.196 15.208 51.237  3.1636 48.110  4.9144  53.450  4.1341 474.247 24.553 501.227 19.476 -26.98007      31.33991 
1 1 1 -1  27 15 o 103.410 35.324 2.1231  1.8578 0.0000  0.0000  2.1231  1.8578 ?       ?      103.410 35.324 0.000000       35.32355 
1 1 1 -1  27 16 o 276.049 25.828 16.423  2.9843 0.0000  0.0000  16.423  2.9843 ?       ?      276.049 25.828 0.000000       25.82798 
1 1 1 -1  27 17 o 524.926 16.454 58.581  3.6577 69.176  5.9458  52.130  4.6393 569.001 24.675 494.378 22.159 74.62360       33.16445 
1 1 1 -1  27 18 o 542.357 16.762 62.588  3.8500 69.180  6.1581  58.358  4.9328 568.378 25.584 522.741 22.283 45.63733       33.92704 
1 1 1 -1  27 19 o 153.450 28.705 5.2293  1.7968 5.1975  2.4043  5.2694  2.7041 151.514 37.639 152.447 40.996 -0.9334106     55.65392 
1 1 1 -1  27 20 o 172.089 25.982 6.5123  1.8346 7.1115  2.5561  5.8757  2.6346 177.623 35.225 160.436 39.127 17.18755       52.64713 
1 1 1 -1  27 21 o 377.447 18.031 30.452  2.8822 34.350  4.3858  27.489  3.8238 398.014 26.166 356.086 25.526 41.92780       36.55464 
1 1 1 -1  27 22 o 82.715  29.828 1.2687  1.3368 0.3716  1.7974  2.3791  1.9998 78.420  32.660 107.263 36.649 -28.84322      49.08968 
1 1 1 -1  27 23 o 190.039 24.255 7.9386  1.9075 5.0336  2.6702  10.966  2.7259 147.093 41.215 222.030 29.738 -74.93697      50.82384 
1 1 1 -1  27 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  27 25 o 208.250 34.747 9.9720  2.9564 9.9720  2.9564  0.0000  0.0000 208.250 34.747 ?       ?      0.000000       34.74705 
1 1 1 -1  27 26 o 107.420 40.041 2.2647  2.4413 0.0000  0.0000  2.2647  2.4413 ?       ?      107.420 40.041 0.000000       40.04072 
1 1 1 -1  27 27 o 380.832 36.213 33.741  5.7701 0.0000  0.0000  33.741  5.7701 ?       ?      380.832 36.213 0.000000       36.21301 
1 1 1 -1  28 1  o 260.646 14.727 14.462  1.6189 13.952  1.9136  15.744  3.0360 255.682 17.784 270.417 26.867 -14.73482      32.21937 
1 1 1 -1  28 2  o 399.758 16.787 33.931  2.8420 33.931  2.8420  0.0000  0.0000 399.758 16.787 ?       ?      0.000000       16.78743 
1 1 1 -1  28 3  o 703.662 13.220 105.019 3.9394 102.812 4.8625  109.234 6.7201 695.906 16.499 716.567 22.145 -20.66156      27.61565 
1 1 1 -1  28 4  o 237.630 14.021 12.020  1.4048 12.388  1.7574  11.370  2.3378 240.919 17.341 229.816 24.393 11.10399       29.92918 
1 1 1 -1  28 5  f 544.470 12.912 62.868  2.9772 67.012  3.6909  55.148  5.0371 561.940 15.509 509.064 23.365 52.87558       28.04414 
1 1 1 -1  28 6  o 550.023 12.996 64.157  3.0271 61.772  5.0970  65.456  3.7626 538.902 22.334 555.346 15.999 -16.44421      27.47262 
1 1 1 -1  28 7  o 329.517 14.356 23.035  2.0033 21.624  3.3171  23.844  2.5135 317.723 24.851 334.621 17.801 -16.89813      30.56853 
1 1 1 -1  28 8  f 732.474 16.657 113.897 5.1668 104.700 7.1003  124.248 7.5328 701.328 23.906 764.102 23.279 -62.77448      33.36777 
1 1 1 -1  28 9  o 519.099 13.686 57.160  3.0087 58.125  3.7348  55.376  5.0782 523.219 16.855 510.040 23.510 13.17972       28.92822 
1 1 1 -1  28 10 o 388.832 14.867 32.085  2.4481 31.278  3.0055  33.676  4.2202 383.676 18.497 396.735 25.249 -13.05890      31.29998 
1 1 1 -1  28 11 o 277.024 19.697 16.399  2.2958 21.115  3.0918  10.604  3.4275 313.998 23.419 218.988 38.356 95.01003       44.94052 
1 1 1 -1  28 12 o 247.643 19.147 13.119  1.9924 10.291  2.6900  16.554  2.9654 217.328 30.030 277.402 25.529 -60.07385      39.41503 
1 1 1 -1  28 13 o 406.926 20.191 35.243  3.4794 0.0000  0.0000  35.243  3.4794 ?       ?      406.926 20.191 0.000000       20.19067 
1 1 1 -1  28 14 o 756.328 19.881 121.766 6.3679 0.0000  0.0000  121.766 6.3679 ?       ?      756.328 19.881 0.000000       19.88124 
1 1 1 -1  28 15 o 254.571 17.635 13.847  1.8895 11.553  2.8417  15.665  2.5298 230.313 29.836 270.154 22.311 -39.84103      37.25580 
1 1 1 -1  28 16 o 302.766 17.309 19.558  2.2102 17.748  3.3626  20.934  2.9326 286.546 28.071 312.516 22.305 -25.97061      35.85344 
1 1 1 -1  28 17 o 434.602 16.364 40.169  3.0117 43.742  4.7791  37.815  3.8789 451.516 25.093 420.405 21.862 31.11148       33.28064 
1 1 1 -1  28 18 o 679.316 19.846 98.469  5.7093 95.273  7.7604  102.240 8.4293 665.848 27.521 689.256 28.878 -23.40735      39.89172 
1 1 1 -1  28 19 o 349.314 20.462 26.180  3.0138 23.605  4.0173  29.496  4.5582 329.388 29.098 368.351 29.467 -38.96265      41.41282 
1 1 1 -1  28 20 o 237.889 19.878 12.195  1.9842 11.980  3.0020  12.363  2.6441 232.834 31.233 237.890 26.707 -5.055649      41.09462 
1 1 1 -1  28 21 o 320.679 18.610 22.082  2.5164 24.758  3.9183  20.204  3.2829 336.862 27.712 304.751 25.676 32.11142       37.77864 
1 1 1 -1  28 22 o 147.619 27.227 4.8744  1.6394 2.0446  2.5731  6.8082  2.1271 108.385 40.961 174.340 29.885 -65.95451      50.70468 
1 1 1 -1  28 23 o 127.708 29.992 3.7240  1.5944 3.8938  2.1569  3.5193  2.3673 129.938 37.264 124.912 39.755 5.025887       54.48929 
1 1 1 -1  28 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  28 25 o 239.442 23.486 12.622  2.3509 12.606  3.1401  12.644  3.5461 235.392 32.356 233.299 37.137 2.093201       49.25476 
1 1 1 -1  28 26 o 229.658 39.549 12.572  3.7077 0.0000  0.0000  12.572  3.7077 ?       ?      229.658 39.549 0.000000       39.54890 
1 1 1 -1  28 27 o 96.751  32.934 2.0426  1.6148 2.6855  2.1375  1.1880  2.4647 109.712 37.874 95.014  38.769 14.69805       54.19820 
1 1 1 -1  29 1  o 256.341 18.044 14.025  1.9463 16.205  3.0017  12.443  2.5566 274.547 26.132 240.359 25.506 34.18803       36.51654 
1 1 1 -1  29 2  o 411.210 16.425 35.895  2.8603 35.163  4.0327  36.636  4.0576 405.784 23.569 414.271 23.222 -8.487091      33.08667 
1 1 1 -1  29 3  o 576.937 16.188 70.652  3.9552 67.760  5.5841  73.565  5.6031 564.262 23.368 588.043 22.500 -23.78058      32.43934 
1 1 1 -1  29 4  o 457.484 15.526 44.415  3.0080 45.682  4.2402  43.132  4.2679 463.483 21.603 450.288 22.381 13.19513       31.10628 
1 1 1 -1  29 5  o 737.980 23.319 115.899 7.2880 0.0000  0.0000  115.899 7.2880 ?       ?      737.980 23.319 0.000000       23.31948 
1 1 1 -1  29 6  o 293.326 14.478 18.254  1.7984 18.206  2.2630  18.337  2.9628 292.190 18.382 292.504 24.134 -0.3142090     30.33710 
1 1 1 -1  29 7  o 310.649 14.709 20.476  1.9350 19.925  2.3006  21.808  3.5778 305.779 17.843 318.739 26.753 -12.95969      32.15728 
1 1 1 -1  29 8  o 462.969 13.756 45.471  2.6971 45.096  3.2892  46.240  4.7118 460.841 16.854 465.371 23.990 -4.529449      29.31823 
1 1 1 -1  29 9  o 564.614 13.941 67.638  3.3333 64.533  4.1702  73.132  5.5472 551.146 17.867 586.170 22.346 -35.02423      28.61090 
1 1 1 -1  29 10 o 739.395 15.205 116.058 4.7610 112.739 8.9757  117.357 5.6161 726.271 29.183 743.165 17.845 -16.89331      34.20619 
1 1 1 -1  29 11 o 601.097 19.904 76.867  5.0669 73.940  7.6041  79.204  6.7952 586.876 30.702 609.098 26.343 -22.22180      40.45485 
1 1 1 -1  29 12 o 366.563 26.479 28.851  4.0828 0.0000  0.0000  28.851  4.0828 ?       ?      366.563 26.479 0.000000       26.47909 
1 1 1 -1  29 13 o 923.521 20.055 181.575 7.8436 0.0000  0.0000  181.575 7.8436 ?       ?      923.521 20.055 0.000000       20.05509 
1 1 1 -1  29 14 o 463.119 15.114 45.561  2.9643 48.909  4.6337  43.243  3.8567 478.842 22.850 450.610 20.210 28.23215       30.50566 
1 1 1 -1  29 15 o 160.332 22.651 5.5899  1.4951 7.4003  2.1508  3.8970  2.0799 183.761 28.565 132.271 36.115 51.49039       46.04627 
1 1 1 -1  29 16 o 370.174 16.218 29.136  2.5424 31.076  3.9168  27.723  3.3421 380.541 24.434 359.797 22.041 20.74387       32.90585 
1 1 1 -1  29 17 o 255.532 21.052 14.032  2.2578 12.023  2.9514  16.865  3.5058 234.430 30.448 278.326 30.229 -43.89565      42.90528 
1 1 1 -1  29 18 o 405.486 19.621 35.113  3.3693 35.026  4.5775  35.217  4.9773 402.595 27.005 402.961 29.369 -0.3666687     39.89728 
1 1 1 -1  29 19 o 495.073 16.679 52.278  3.4969 49.722  5.5116  54.000  4.5240 479.181 27.273 502.017 21.279 -22.83517      34.59240 
1 1 1 -1  29 20 o 501.244 16.956 53.662  3.5993 48.298  5.6719  57.278  4.6572 471.022 28.569 516.580 21.289 -45.55829      35.62868 
1 1 1 -1  29 21 o 232.156 19.475 11.636  1.8970 11.695  2.8884  11.591  2.5155 229.653 30.450 229.910 26.310 -0.2568970     40.24178 
1 1 1 -1  29 22 o 470.830 17.685 47.518  3.5262 58.331  5.5855  40.352  4.5469 518.292 25.447 430.581 25.044 87.71045       35.70367 
1 1 1 -1  29 23 o 380.017 22.892 31.460  3.6669 33.489  4.5342  27.623  6.2340 389.660 27.657 343.548 43.849 46.11234       51.84211 
1 1 1 -1  29 24 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 -1  29 25 o 107.065 40.230 2.2099  2.4741 0.0000  0.0000  2.2099  2.4741 ?       ?      107.065 40.230 0.000000       40.23037 
1 1 1 -1  29 26 o 164.667 29.560 6.2509  1.9856 4.8227  2.5699  8.3665  3.1278 140.569 40.781 185.064 40.989 -44.49474      57.82015 
1 1 1 -1  29 27 f 177.804 27.828 7.2174  2.0267 7.0168  2.6660  7.4921  3.1196 170.382 37.924 173.586 42.724 -3.203308      57.12797 
1 1 1 -1  30 1  o 362.686 16.504 27.925  2.5349 0.0000  0.0000  27.925  2.5349 ?       ?      362.686 16.504 0.000000       16.50413 
1 1 1 -1  30 2  o 450.122 13.713 42.978  2.6139 36.428  4.5067  46.299  3.2088 412.668 25.919 467.022 16.224 -54.35477      30.57837 
1 1 1 -1  30 3  f 693.883 13.561 102.128 3.9848 105.613 7.0501  100.492 4.8304 704.375 23.635 688.005 16.579 16.36951       28.86956 
1 1 1 -1  30 4  o 341.851 14.200 24.793  2.0557 24.482  3.8327  24.919  2.4357 337.788 27.019 342.585 16.788 -4.797089      31.80983 
1 1 1 -1  30 5  o 440.779 17.000 41.254  3.1733 49.698  4.8994  35.152  4.1650 483.124 23.946 405.563 24.363 77.56055       34.16111 
1 1 1 -1  30 6  o 501.583 13.500 53.369  2.8675 50.058  5.1137  54.887  3.4633 484.074 25.030 508.476 16.083 -24.40170      29.75208 
1 1 1 -1  30 7  o 154.393 22.351 5.1772  1.4189 6.0377  2.5549  4.7934  1.7062 164.471 37.511 147.415 28.359 17.05573       47.02511 
1 1 1 -1  30 8  o 276.872 17.275 16.347  2.0154 20.166  3.9629  15.014  2.3408 305.495 31.063 264.830 21.045 40.66492       37.52090 
1 1 1 -1  30 9  o 629.734 15.065 84.188  4.0176 73.072  7.3981  88.837  4.7847 583.711 30.030 646.601 17.473 -62.89069      34.74337 
1 1 1 -1  30 10 o 529.526 15.169 59.539  3.4015 58.087  6.5500  60.075  3.9804 520.125 29.862 531.639 17.679 -11.51440      34.70255 
1 1 1 -1  30 11 o 185.543 18.410 7.3926  1.4275 5.0258  1.9952  9.8748  2.0433 150.248 32.317 214.033 22.898 -63.78531      39.60649 
1 1 1 -1  30 12 o 385.224 17.905 31.560  2.9209 30.302  3.9634  33.056  4.3214 375.873 25.043 392.434 26.152 -16.56058      36.20865 
1 1 1 -1  30 13 o 492.975 14.982 51.625  3.1278 52.694  4.9006  50.889  4.0630 496.931 23.287 488.892 19.624 8.039215       30.45288 
1 1 1 -1  30 14 o 262.422 17.292 14.709  1.9109 14.199  2.8800  15.110  2.5542 256.221 26.946 265.128 22.976 -8.907349      35.41135 
1 1 1 -1  30 15 f 271.737 17.539 15.775  2.0076 14.220  2.9784  17.071  2.7179 256.124 27.911 281.858 22.969 -25.73428      36.14703 
1 1 1 -1  30 16 o 436.973 18.285 40.671  3.3837 40.352  4.5166  41.080  5.1083 433.521 24.704 436.641 27.770 -3.120880      37.16740 
1 1 1 -1  30 17 o 308.393 19.968 20.391  2.5939 18.865  3.4619  22.344  3.9166 294.770 28.072 320.720 29.155 -25.95016      40.47229 
1 1 1 -1  30 18 o 213.283 20.107 9.8137  1.7947 8.2490  2.7248  11.012  2.3850 191.743 34.840 224.850 25.498 -33.10687      43.17367 
1 1 1 -1  30 19 o 331.874 17.372 23.589  2.4330 18.092  3.7439  27.607  3.2011 286.684 31.348 358.144 21.200 -71.45990      37.84406 
1 1 1 -1  30 20 o 343.585 18.199 25.335  2.6387 23.939  3.9961  26.415  3.5135 330.622 28.829 349.183 23.904 -18.56055      37.45010 
1 1 1 -1  30 21 o 181.976 22.870 7.2519  1.7235 11.315  2.6663  4.3352  2.2589 226.207 28.464 137.276 37.702 88.93097       47.24017 
1 1 1 -1  30 22 o 354.791 22.772 27.374  3.4034 30.585  4.2676  21.763  5.6410 373.059 27.200 304.711 45.074 68.34781       52.64516 
1 1 1 -1  30 23 o 215.147 28.339 10.366  2.5192 9.0090  3.0102  13.539  4.6025 196.428 37.556 235.997 47.692 -39.56915      60.70398 
1 1 1 -1  30 24 o 316.928 25.419 22.178  3.3829 0.0000  0.0000  22.178  3.3829 ?       ?      316.928 25.419 0.000000       25.41871 
1 1 1 -1  30 25 o 79.175  34.351 0.0000  2.1341 0.0000  0.0000  0.0000  2.1341 ?       ?      79.175  34.351 0.000000       34.35098 
1 1 1 -1  30 26 o 417.241 22.121 38.313  3.8947 42.998  5.2044  32.350  5.8717 436.930 28.278 369.967 38.017 66.96341       47.38072 
1 1 1 -1  31 1  o 838.311 12.259 149.029 4.3523 156.090 6.1962  142.151 6.1147 857.347 17.066 818.089 17.649 39.25757       24.55075 
1 1 1 -1  31 2  o 264.117 14.508 14.846  1.6165 12.792  2.3124  16.809  2.2606 244.141 22.623 280.595 19.138 -36.45401      29.63190 
1 1 1 -1  31 3  o 562.720 13.484 67.173  3.2133 70.138  5.7701  65.840  3.8688 573.905 23.741 556.864 16.405 17.04120       28.85758 
1 1 1 -1  31 4  o 319.798 14.358 21.701  1.9445 21.430  3.5233  21.820  2.3318 315.892 26.584 320.060 17.267 -4.167633      31.69945 
1 1 1 -1  31 5  o 828.362 17.705 145.775 6.2109 160.061 9.1378  133.507 8.4675 866.616 24.899 791.397 25.265 75.21857       35.47172 
1 1 1 -1  31 6  o 590.988 13.692 74.106  3.4267 75.758  6.2426  73.393  4.0995 596.178 24.726 587.874 16.467 8.303772       29.70696 
1 1 1 -1  31 7  o 571.430 12.042 69.254  2.9140 67.999  4.0423  70.613  4.2045 565.782 16.871 576.516 17.221 -10.73450      24.10788 
1 1 1 -1  31 8  o 518.938 12.306 57.125  2.7044 59.081  3.8582  55.235  3.7918 527.289 17.278 509.810 17.563 17.47876       24.63696 
1 1 1 -1  31 9  f 559.028 12.481 66.302  2.9547 66.736  4.1452  65.854  4.2128 560.329 17.469 556.568 17.873 3.760986       24.99237 
1 1 1 -1  31 10 o 181.045 18.849 7.0475  1.4240 6.3457  2.0065  7.7598  2.0213 169.885 28.926 188.874 25.956 -18.98938      38.86438 
1 1 1 -1  31 11 o 401.086 13.472 34.149  2.2883 30.471  3.2616  37.715  3.2113 377.702 20.467 421.088 18.008 -43.38525      27.26175 
1 1 1 -1  31 12 o 229.708 22.864 11.367  2.1946 9.5101  2.9290  13.743  3.3137 207.498 34.547 250.987 31.897 -43.48885      47.02015 
1 1 1 -1  31 13 o 281.204 17.865 16.891  2.1165 20.585  3.3668  14.477  2.7214 309.179 25.954 259.077 25.120 50.10162       36.11919 
1 1 1 -1  31 14 o 207.555 19.106 9.2505  1.6605 7.6618  2.4208  10.662  2.2821 186.255 31.834 222.006 24.691 -35.75124      40.28736 
1 1 1 -1  31 15 o 282.894 19.307 17.133  2.2993 21.570  3.0474  11.269  3.5033 316.935 22.858 224.995 38.129 91.94034       44.45590 
1 1 1 -1  31 16 o 508.559 18.221 55.134  3.9243 51.227  5.2282  60.176  5.9390 488.039 25.384 528.656 26.613 -40.61740      36.77748 
1 1 1 -1  31 17 o 156.825 24.065 5.3972  1.5472 6.4266  2.1587  4.3097  2.2187 169.729 31.181 138.014 37.142 31.71471       48.49548 
1 1 1 -1  31 18 o 165.928 22.015 6.0080  1.5088 6.8296  2.2661  5.3539  2.0221 174.617 31.817 154.122 32.027 20.49490       45.14481 
1 1 1 -1  31 19 o 555.765 16.456 65.967  3.8731 62.714  6.1987  68.051  4.9607 537.217 27.337 563.033 20.805 -25.81665      34.35305 
1 1 1 -1  31 20 o 482.514 16.708 49.785  3.4140 50.077  5.4264  49.593  4.3923 479.559 26.827 480.010 21.607 -0.4516907     34.44640 
1 1 1 -1  31 21 o 182.317 29.615 7.4566  2.2081 8.3225  2.6409  5.4445  4.0256 191.346 33.827 154.046 52.000 37.30066       62.03501 
1 1 1 -1  31 22 o 229.732 26.367 11.698  2.5188 9.7610  3.0634  15.740  4.4253 205.431 36.553 259.142 41.742 -53.71094      55.48376 
1 1 1 -1  31 23 o 143.829 53.516 4.5553  4.3571 0.0000  0.0000  4.5553  4.3571 ?       ?      143.829 53.516 0.000000       53.51593 
1 1 1 -1  31 24 o 228.382 30.153 11.833  2.8450 0.0000  0.0000  11.833  2.8450 ?       ?      228.382 30.153 0.000000       30.15263 
1 1 1 -1  31 25 o 117.237 33.287 3.2416  1.7298 2.9745  2.2171  3.6571  2.7653 114.069 38.591 125.104 43.084 -11.03509      57.84013 
1 1 1 -1  31 26 o 372.166 22.054 30.532  3.4604 28.226  4.5562  33.674  5.3193 351.190 30.952 381.635 33.245 -30.44461      45.42261 
1 1 1 -1  32 1  o 1003.04 13.039 213.423 5.5387 212.586 7.8483  214.252 7.8176 1000.14 18.530 1004.08 18.385 -3.940002      26.10289 
1 1 1 -1  32 2  o 439.259 11.939 40.919  2.2210 38.410  3.1751  43.322  3.1078 425.194 17.633 451.679 16.247 -26.48505      23.97698 
1 1 1 -1  32 3  o 553.785 11.797 65.037  2.7666 59.797  3.9704  69.982  3.8572 530.508 17.672 574.101 15.865 -43.59375      23.74900 
1 1 1 -1  32 4  o 155.527 18.583 5.2141  1.1997 4.3970  1.7540  5.9324  1.6445 140.731 30.325 165.120 24.239 -24.38834      38.82203 
1 1 1 -1  32 5  o 362.711 14.514 27.924  2.2294 31.566  4.5197  26.754  2.5629 383.377 28.032 354.862 17.054 28.51453       32.81249 
1 1 1 -1  32 6  o 233.721 13.726 11.632  1.3526 11.193  1.9830  12.015  1.8497 228.402 20.727 237.001 18.578 -8.599670      27.83419 
1 1 1 -1  32 7  o 546.326 12.196 63.317  2.8218 65.558  4.0179  61.136  3.9639 555.418 17.082 536.313 17.453 19.10437       24.42092 
1 1 1 -1  32 8  o 621.517 14.837 82.029  3.9052 75.190  7.0226  85.091  4.6988 592.873 27.970 632.648 17.538 -39.77515      33.01372 
1 1 1 -1  32 9  o 373.009 13.257 29.532  2.0942 28.628  2.8869  30.537  3.0425 366.350 18.669 378.346 19.050 -11.99600      26.67283 
1 1 1 -1  32 10 o 399.858 13.241 33.940  2.2422 31.802  3.1312  36.191  3.2123 386.533 19.129 412.422 18.392 -25.88898      26.53629 
1 1 1 -1  32 11 o 795.278 13.367 134.279 4.5020 134.259 6.4223  134.298 6.3127 794.122 19.097 794.310 18.766 -0.1879272     26.77430 
1 1 1 -1  32 12 o 709.079 18.053 106.995 5.4210 103.012 7.2304  112.108 8.1924 694.286 24.591 723.687 26.731 -29.40082      36.32177 
1 1 1 -1  32 13 o 662.672 14.902 93.313  4.1820 91.268  6.7806  94.569  5.3129 653.414 24.504 666.417 18.825 -13.00250      30.90041 
1 1 1 -1  32 14 o 214.669 21.955 9.9389  1.9678 11.241  2.7274  8.5254  2.8420 226.994 29.037 195.667 35.610 31.32758       45.94817 
1 1 1 -1  32 15 o 553.794 15.448 65.248  3.6229 59.392  5.6174  69.418  4.7406 526.298 25.203 570.392 19.625 -44.09363      31.94306 
1 1 1 -1  32 16 o 351.062 16.450 26.262  2.4457 23.852  3.6738  28.180  3.2775 331.944 26.351 362.241 21.461 -30.29724      33.98406 
1 1 1 -1  32 17 o 222.559 19.423 10.674  1.8123 13.116  2.6504  8.5299  2.4836 245.360 25.899 195.960 30.956 49.39977       40.36082 
1 1 1 -1  32 18 o 254.593 18.321 13.938  1.9621 17.744  2.9390  10.877  2.6354 285.819 24.518 222.122 28.687 63.69658       37.73731 
1 1 1 -1  32 19 o 296.405 18.050 18.880  2.2549 16.745  3.5076  20.383  2.9438 275.264 30.608 306.709 22.827 -31.44510      38.18287 
1 1 1 -1  32 20 f 226.995 24.848 11.295  2.3496 11.451  2.8381  10.957  4.1890 226.739 30.316 214.738 47.338 12.00145       56.21365 
1 1 1 -1  32 21 o 240.663 24.922 12.742  2.5032 16.025  3.0315  5.7086  4.4378 269.356 26.937 156.715 54.544 112.6411       60.83327 
1 1 1 -1  32 22 o 145.701 33.697 4.9463  2.0378 0.0000  0.0000  4.9463  2.0378 ?       ?      145.701 33.697 0.000000       33.69690 
1 1 1 -1  32 23 o 329.456 42.114 25.671  5.7414 0.0000  0.0000  25.671  5.7414 ?       ?      329.456 42.114 0.000000       42.11444 
1 1 1 -1  32 24 o 204.295 23.510 9.2819  1.9970 7.0305  2.9147  11.274  2.7415 169.561 41.034 222.347 29.870 -52.78575      50.75422 
1 1 1 -1  32 25 o 219.231 24.313 10.757  2.2193 10.049  2.8171  11.914  3.6030 207.170 33.232 221.591 39.860 -14.42087      51.89622 
1 1 1 -1  32 26 o 273.094 20.914 16.427  2.4003 18.377  3.4369  14.569  3.3537 284.084 28.973 250.522 32.368 33.56146       43.44136 
1 1 1 -1  33 1  o 353.536 14.763 26.534  2.2103 28.641  4.1199  25.682  2.6192 365.272 26.821 347.152 17.877 18.11996       32.23253 
1 1 1 -1  33 2  o 251.055 14.474 13.423  1.5323 11.745  2.4077  14.566  1.9866 233.383 24.738 261.156 18.073 -27.77231      30.63709 
1 1 1 -1  33 3  o 728.849 12.149 112.685 3.7500 103.403 5.3671  121.537 5.2417 697.419 18.172 756.388 16.364 -58.96997      24.45399 
1 1 1 -1  33 4  f 468.937 11.835 46.644  2.3502 42.552  3.3590  50.569  3.2896 447.412 17.728 487.926 15.920 -40.51431      23.82695 
1 1 1 -1  33 5  o 256.017 16.522 13.984  1.7818 16.181  3.9276  13.415  1.9993 272.220 34.871 250.420 18.994 21.80034       39.70828 
1 1 1 -1  33 6  o 264.370 13.307 14.871  1.4850 15.746  2.1117  14.015  2.0888 271.467 18.478 255.904 19.419 15.56235       26.80574 
1 1 1 -1  33 7  o 447.132 12.272 42.421  2.3237 40.477  3.3550  44.214  3.2215 436.230 18.161 456.084 16.679 -19.85400      24.65761 
1 1 1 -1  33 8  o 329.512 14.045 23.056  1.9599 20.250  2.7445  25.976  2.7998 307.545 21.202 348.840 19.024 -41.29526      28.48555 
1 1 1 -1  33 9  o 476.280 12.948 48.152  2.6116 47.217  3.6507  49.132  3.7376 471.054 18.300 480.499 18.368 -9.445007      25.92847 
1 1 1 -1  33 10 o 512.739 13.077 55.814  2.8395 53.405  3.9519  58.385  4.0827 500.877 18.631 523.747 18.407 -22.86996      26.19028 
1 1 1 -1  33 11 o 863.018 13.760 158.176 5.0291 160.251 7.1960  156.193 7.0313 867.346 19.591 856.347 19.388 10.99927       27.56302 
1 1 1 -1  33 12 o 132.636 30.686 3.9302  1.6894 1.2055  2.2990  7.1284  2.4908 96.948  38.156 178.964 34.110 -82.01598      51.17976 
1 1 1 -1  33 13 o 374.365 18.583 29.854  2.9461 28.471  3.9437  31.601  4.4317 363.707 25.771 382.852 27.517 -19.14526      37.70055 
1 1 1 -1  33 14 o 297.940 17.284 18.970  2.1715 19.792  3.4037  18.405  2.8199 302.443 26.854 292.434 22.954 10.00903       35.32727 
1 1 1 -1  33 15 o 296.966 17.252 18.864  2.1602 16.492  3.1431  20.988  2.9740 275.439 27.306 312.194 22.648 -36.75558      35.47589 
1 1 1 -1  33 16 o 52.171  23.637 -0.6252 1.1254 -1.2243 1.6194  -0.0656 1.5650 59.733  27.545 69.110  29.698 -9.377663      40.50526 
1 1 1 -1  33 17 o 445.101 15.778 42.270  2.9742 37.292  4.5627  45.948  3.9219 414.581 26.121 462.998 20.002 -48.41635      32.90004 
1 1 1 -1  33 18 o 464.107 16.105 46.014  3.1653 46.102  4.9583  45.953  4.1122 460.849 25.505 462.379 21.001 -1.529877      33.03843 
1 1 1 -1  33 19 o 125.694 33.238 3.6084  1.7963 3.8518  2.1380  3.0242  3.3123 129.764 37.064 125.629 46.677 4.134689       59.60291 
1 1 1 -1  33 20 o 341.331 21.866 25.284  3.1442 26.488  3.8973  23.039  5.3211 347.360 26.698 316.578 40.627 30.78241       48.61407 
1 1 1 -1  33 21 o 291.399 24.451 18.666  2.9895 0.0000  0.0000  18.666  2.9895 ?       ?      291.399 24.451 0.000000       24.45123 
1 1 1 -1  33 22 o 139.868 38.757 4.6534  2.3750 0.0000  0.0000  4.6534  2.3750 ?       ?      139.868 38.757 0.000000       38.75688 
1 1 1 -1  33 23 f 136.567 49.277 4.2879  3.6493 0.0000  0.0000  4.2879  3.6493 ?       ?      136.567 49.277 0.000000       49.27709 
1 1 1 -1  33 24 f 266.062 22.819 15.684  2.5462 13.618  3.3200  18.634  3.9677 241.908 33.289 283.129 33.757 -41.22057      47.40981 
1 1 1 -1  33 25 o 366.856 19.459 29.450  3.0123 27.421  4.4876  31.115  4.0639 345.529 30.997 372.516 25.922 -26.98773      40.40797 
1 1 1 -1  34 1  o 488.787 12.196 50.688  2.5246 50.121  3.7084  51.177  3.4465 485.484 18.037 490.733 16.584 -5.249023      24.50254 
1 1 1 -1  34 2  f 363.390 12.585 28.020  1.9367 28.329  2.9470  27.785  2.5695 364.386 19.165 361.570 16.781 2.815826       25.47301 
1 1 1 -1  34 3  o 311.527 16.313 20.679  2.1447 19.886  2.8227  21.763  3.2988 304.683 22.024 318.356 24.660 -13.67352      33.06384 
1 1 1 -1  34 4  o 205.594 20.644 9.0915  1.7732 7.9079  2.0617  12.455  3.4755 190.617 26.235 237.990 35.575 -47.37354      44.20236 
1 1 1 -1  34 5  o 109.317 26.026 2.6562  1.1875 2.4399  1.8951  2.7961  1.5238 108.548 35.655 112.429 31.002 -3.880997      47.24809 
1 1 1 -1  34 6  o 356.890 12.578 27.032  1.9011 23.899  2.7156  30.043  2.6623 334.518 19.250 375.911 16.724 -41.39301      25.49977 
1 1 1 -1  34 7  o 551.740 12.226 64.602  2.8566 65.928  4.1379  63.395  3.9486 556.716 17.551 545.984 17.077 10.73151       24.48811 
1 1 1 -1  34 8  o 665.186 12.855 93.930  3.6212 89.555  5.0930  98.403  5.1498 648.624 18.541 680.034 17.882 -31.41016      25.75928 
1 1 1 -1  34 9  o 638.469 13.349 86.559  3.6094 91.968  5.1528  81.350  5.0574 657.261 18.512 618.009 19.323 39.25256       26.76015 
1 1 1 -1  34 10 o 459.159 15.791 44.821  3.0705 43.950  3.7984  46.464  5.2162 454.163 19.749 465.059 26.596 -10.89569      33.12632 
1 1 1 -1  34 11 o 625.370 15.674 83.150  4.1510 81.767  5.1156  85.817  7.1027 619.455 19.500 632.924 26.499 -13.46936      32.90062 
1 1 1 -1  34 12 o 101.024 33.046 2.1252  1.6286 3.3614  2.2077  0.6493  2.4122 124.237 38.226 92.741  38.156 31.49655       54.01022 
1 1 1 -1  34 13 o 410.535 15.376 35.855  2.6732 35.086  4.3842  36.311  3.3727 403.611 25.784 412.578 19.303 -8.966827      32.20953 
1 1 1 -1  34 14 o 421.525 15.805 37.840  2.8214 33.100  4.5117  40.884  3.6157 391.099 27.413 437.496 19.515 -46.39682      33.65002 
1 1 1 -1  34 15 o 161.290 25.288 5.7298  1.6705 5.0132  2.5903  6.2400  2.1857 148.197 40.237 166.768 32.114 -18.57071      51.48127 
1 1 1 -1  34 16 o 309.586 16.735 20.525  2.1860 16.499  3.1959  24.065  2.9966 274.606 27.867 334.182 21.285 -59.57596      35.06615 
1 1 1 -1  34 17 o 307.374 17.223 20.268  2.2328 18.123  3.3331  22.015  3.0074 287.605 27.709 318.988 22.404 -31.38345      35.63339 
1 1 1 -1  34 18 o 343.015 19.787 25.357  2.8621 25.096  3.6761  25.758  4.5609 339.190 25.785 341.037 31.952 -1.846771      41.05816 
1 1 1 -1  34 19 o 377.046 20.074 30.696  3.1938 30.364  4.1138  31.201  5.0672 372.459 26.249 374.523 32.263 -2.063995      41.59213 
1 1 1 -1  34 20 o 296.111 23.756 19.207  2.9540 0.0000  0.0000  19.207  2.9540 ?       ?      296.111 23.756 0.000000       23.75622 
1 1 1 -1  34 21 o 341.695 24.764 25.722  3.5591 0.0000  0.0000  25.722  3.5591 ?       ?      341.695 24.764 0.000000       24.76390 
1 1 1 -1  34 22 o 421.464 17.901 38.367  3.1952 30.988  4.8431  44.055  4.2517 370.383 31.166 449.158 22.352 -78.77530      38.35286 
1 1 1 -1  34 23 o 127.826 43.835 3.8487  2.8611 0.0000  0.0000  3.8487  2.8611 ?       ?      127.826 43.835 0.000000       43.83540 
1 1 1 -1  34 24 o 239.361 20.673 12.638  2.0750 11.823  2.9965  13.388  2.8763 225.171 32.354 242.154 28.599 -16.98376      43.18191 
1 1 1 -1  34 25 o 154.396 27.864 5.5081  1.7549 4.5939  2.4320  6.5011  2.5347 136.372 39.702 163.187 37.469 -26.81520      54.59127 
1 1 1 -1  35 1  o 409.939 12.802 35.669  2.2225 31.858  3.3211  38.759  2.9908 386.193 20.379 426.987 16.540 -40.79449      26.24616 
1 1 1 -1  35 2  o 472.769 12.136 47.429  2.4297 48.062  3.7120  46.955  3.2138 475.243 18.444 470.008 16.146 5.235291       24.51270 
1 1 1 -1  35 3  o 159.251 22.016 5.5088  1.4451 3.1291  2.3237  7.0097  1.8454 121.817 39.452 179.449 24.958 -57.63245      46.68395 
1 1 1 -1  35 4  o 357.905 16.575 27.236  2.5122 27.036  3.1182  27.605  4.2410 355.577 20.798 357.858 28.213 -2.280914      35.05062 
1 1 1 -1  35 5  o 157.516 19.653 5.3653  1.2825 2.5417  1.9142  7.6651  1.7275 110.184 35.817 188.300 22.083 -78.11619      42.07692 
1 1 1 -1  35 6  o 626.565 12.144 83.320  3.2223 77.877  4.5537  88.779  4.5603 604.956 17.775 646.107 16.667 -41.15137      24.36614 
1 1 1 -1  35 7  o 136.260 23.587 4.0774  1.3118 6.4568  1.9963  2.2693  1.7403 171.306 28.521 104.440 34.160 66.86587       44.50135 
1 1 1 -1  35 8  o 525.555 14.929 58.699  3.3228 58.551  4.1554  58.960  5.5335 524.351 18.713 525.035 24.887 -0.6842651     31.13724 
1 1 1 -1  35 9  o 586.922 14.847 73.209  3.6903 71.379  4.5891  76.558  6.2080 578.916 18.718 598.312 24.501 -19.39569      30.83278 
1 1 1 -1  35 10 o 241.480 19.777 12.512  2.0048 13.586  2.5514  10.780  3.2412 250.881 24.320 220.529 35.943 30.35199       43.39754 
1 1 1 -1  35 11 o 643.977 14.996 88.175  4.0898 90.065  6.5439  86.964  5.2390 648.814 23.816 638.660 19.370 10.15344       30.69886 
1 1 1 -1  35 12 o 418.570 15.217 37.273  2.6973 37.516  4.4677  37.134  3.3836 417.447 25.393 417.216 19.150 0.2306519      31.80416 
1 1 1 -1  35 13 f 364.050 15.741 28.225  2.4269 27.115  3.7594  29.018  3.1777 354.383 25.214 367.845 20.480 -13.46194      32.48372 
1 1 1 -1  35 14 o 375.254 15.970 30.020  2.5379 29.811  3.9104  30.173  3.3360 371.325 25.013 374.685 21.110 -3.359863      32.73022 
1 1 1 -1  35 15 o 487.078 15.544 50.604  3.2063 49.707  5.0875  51.195  4.1296 479.305 25.152 488.764 19.951 -9.459595      32.10372 
1 1 1 -1  35 16 o 183.685 26.360 7.4501  1.9917 6.2536  2.3171  10.836  3.8980 165.824 34.133 215.827 44.136 -50.00304      55.79424 
1 1 1 -1  35 17 f 83.466  30.324 1.2824  1.3854 1.5994  1.4887  -0.7666 3.7847 89.977  31.576 100.621 44.626 -10.64463      54.66732 
1 1 1 -1  35 18 o 395.421 16.142 33.463  2.7031 23.079  4.1323  41.229  3.5737 322.704 30.603 437.927 19.269 -115.2230      36.16443 
1 1 1 -1  35 19 f 472.939 20.923 48.366  4.1906 0.0000  0.0000  48.366  4.1906 ?       ?      472.939 20.923 0.000000       20.92339 
1 1 1 -1  35 20 o 177.225 31.463 7.1992  2.2749 0.0000  0.0000  7.1992  2.2749 ?       ?      177.225 31.463 0.000000       31.46324 
1 1 1 -1  35 21 o 375.835 17.595 30.483  2.8005 33.216  4.2264  28.344  3.7393 387.329 25.916 358.350 24.792 28.97888       35.86470 
1 1 1 -1  35 22 o 128.211 31.613 3.8570  1.7056 3.2466  2.0258  5.3430  3.1611 117.795 36.680 146.949 45.829 -29.15411      58.70046 
1 1 1 -1  35 23 o 233.938 29.344 12.539  2.8432 0.0000  0.0000  12.539  2.8432 ?       ?      233.938 29.344 0.000000       29.34444 
1 1 1 -1  35 24 o 145.079 28.116 4.8904  1.6651 3.9654  2.2972  5.9142  2.4169 127.319 38.963 155.451 37.208 -28.13190      53.87579 
1 1 1 -1  36 1  o 787.339 12.688 131.596 4.2305 138.357 6.1305  125.450 5.8454 806.282 17.954 767.749 17.978 38.53375       25.40827 
1 1 1 -1  36 2  o 135.041 23.640 4.0070  1.3027 0.6678  2.3578  5.4740  1.5628 92.175  37.800 158.308 24.070 -66.13320      44.81264 
1 1 1 -1  36 3  o 462.278 12.864 45.371  2.5184 45.699  3.7514  45.101  3.3980 463.206 19.124 460.392 17.428 2.813660       25.87396 
1 1 1 -1  36 4  o 747.924 14.846 118.874 4.7025 121.136 5.8287  114.656 7.9588 754.319 18.246 731.934 25.676 22.38464       31.49913 
1 1 1 -1  36 5  o 232.585 18.160 11.586  1.7745 7.5971  2.3218  17.189  2.7518 185.658 30.596 282.738 23.186 -97.08076      38.38859 
1 1 1 -1  36 6  o 400.612 15.064 34.112  2.5557 33.028  3.1494  36.201  4.3733 393.773 18.886 410.540 25.277 -16.76740      31.55318 
1 1 1 -1  36 7  o 134.603 28.645 4.0336  1.5827 3.5125  2.0666  4.7730  2.4615 126.025 36.573 145.750 39.078 -19.72449      53.52271 
1 1 1 -1  36 8  o 66.289  27.081 0.3462  1.2045 -1.1389 1.9544  1.2557  1.5295 68.283  31.020 85.926  31.760 -17.64310      44.39526 
1 1 1 -1  36 9  o 401.898 15.526 34.350  2.6426 35.719  4.2611  33.495  3.3686 407.734 24.795 395.774 20.165 11.96072       31.95981 
1 1 1 -1  36 10 o 150.622 25.988 4.9994  1.5978 3.1369  2.6432  6.0719  2.0058 123.799 42.135 165.549 29.701 -41.74988      51.55080 
1 1 1 -1  36 11 o 286.551 17.448 17.562  2.1072 22.771  3.4912  14.578  2.6429 324.716 25.596 259.666 24.317 65.05011       35.30520 
1 1 1 -1  36 12 o 365.615 16.056 28.480  2.4861 25.301  3.9431  30.577  3.2029 341.547 27.494 377.665 20.099 -36.11725      34.05661 
1 1 1 -1  36 13 o 249.538 18.857 13.386  1.9780 15.833  3.0659  11.642  2.5888 269.451 27.242 230.723 27.006 38.72734       38.36002 
1 1 1 -1  36 14 o 209.244 25.721 9.5913  2.2312 6.6306  2.8929  13.938  3.5053 169.479 40.797 250.140 33.968 -80.66051      53.08756 
1 1 1 -1  36 15 o 407.671 19.598 35.654  3.3836 33.165  4.3837  39.321  5.3218 390.188 26.689 423.560 29.860 -33.37164      40.04910 
1 1 1 -1  36 16 o 407.431 20.118 35.682  3.4712 35.779  4.5053  35.541  5.4452 405.014 26.411 400.761 32.360 4.253021       41.76961 
1 1 1 -1  36 17 o 90.581  33.542 1.4746  1.7075 0.0000  0.0000  1.4746  1.7075 ?       ?      90.581  33.542 0.000000       33.54183 
1 1 1 -1  36 18 o 157.652 31.090 5.6692  2.0020 0.0000  0.0000  5.6692  2.0020 ?       ?      157.652 31.090 0.000000       31.09043 
1 1 1 -1  36 19 o 206.135 19.775 9.2718  1.7051 10.561  2.5834  8.2767  2.2696 216.723 28.866 191.471 28.889 25.25153       40.83865 
1 1 1 -1  36 20 f 347.508 16.676 26.012  2.4542 21.018  3.6775  30.022  3.2954 306.201 28.694 370.918 21.066 -64.71704      35.59695 
1 1 1 -1  36 21 o 153.301 29.544 5.4162  1.8485 4.0769  2.2422  8.2575  3.2658 130.686 38.144 183.445 42.818 -52.75888      57.34375 
1 1 1 -1  36 22 o 107.831 30.790 2.7201  1.4757 2.2850  1.9200  3.3483  2.3068 102.299 35.862 119.209 39.347 -16.91061      53.23742 
1 1 1 -1  36 23 o 168.687 37.852 6.9750  2.6376 0.0000  0.0000  6.9750  2.6376 ?       ?      168.687 37.852 0.000000       37.85240 
1 1 1 -1  36 24 o 61.175  26.537 -0.0469 1.2732 -0.8363 1.6998  0.9621  1.9218 63.042  28.751 84.545  34.335 -21.50265      44.78324 
1 1 1 -1  37 1  o 646.182 14.640 88.737  4.0062 90.333  4.9476  85.697  6.8271 651.377 17.936 632.689 25.480 18.68817       31.15957 
1 1 1 -1  37 2  o 431.426 15.015 39.563  2.7433 40.017  3.5800  38.917  4.2699 433.323 19.508 426.020 23.762 7.303406       30.74416 
1 1 1 -1  37 3  o 410.236 15.756 35.787  2.7373 35.369  3.6480  36.326  4.1409 406.585 21.260 411.514 23.864 -4.929077      31.96076 
1 1 1 -1  37 4  o 167.566 52.580 6.2188  4.1539 6.2188  4.1539  0.0000  0.0000 167.566 52.580 ?       ?      0.000000       52.58022 
1 1 1 -1  37 5  o 531.703 12.800 60.033  2.8822 51.919  4.1393  67.669  4.0155 493.488 19.806 563.922 16.814 -70.43448      25.98101 
1 1 1 -1  37 6  o 587.128 12.298 73.189  3.0578 73.558  4.4096  72.847  4.2440 587.761 17.716 585.020 17.130 2.741455       24.64318 
1 1 1 -1  37 7  o 183.322 20.234 7.2544  1.5447 7.0108  2.6847  7.3750  1.8886 176.621 37.074 183.980 24.877 -7.359192      44.64743 
1 1 1 -1  37 8  o 281.205 17.675 16.909  2.0941 22.753  3.6039  13.930  2.5731 324.616 26.446 253.959 24.219 70.65659       35.85976 
1 1 1 -1  37 9  o 258.968 20.823 14.416  2.2644 15.981  3.2117  12.869  3.1931 271.100 28.396 242.069 31.927 29.03143       42.72752 
1 1 1 -1  37 10 o 256.166 17.129 14.048  1.8475 14.078  2.7986  14.024  2.4597 254.578 26.339 254.841 23.040 -0.2628326     34.99427 
1 1 1 -1  37 11 o 300.772 18.995 19.403  2.4070 18.807  2.9847  20.511  4.0707 294.949 24.106 305.834 31.899 -10.88492      39.98306 
1 1 1 -1  37 12 o 431.675 18.542 39.839  3.3897 37.117  4.5370  43.277  5.0998 413.989 26.010 446.733 27.084 -32.74429      37.55131 
1 1 1 -1  37 13 o 192.285 27.825 8.1714  2.2000 7.1673  2.8095  9.7631  3.5372 176.753 38.613 205.824 42.002 -29.07089      57.05421 
1 1 1 -1  37 14 o 230.844 22.753 11.591  2.1954 13.631  2.7020  7.6280  3.7662 249.570 25.944 179.445 48.434 70.12447       54.94488 
1 1 1 -1  37 15 o 213.213 27.216 10.041  2.4013 0.0000  0.0000  10.041  2.4013 ?       ?      213.213 27.216 0.000000       27.21559 
1 1 1 -1  37 16 o 305.701 23.232 20.336  2.9852 0.0000  0.0000  20.336  2.9852 ?       ?      305.701 23.232 0.000000       23.23230 
1 1 1 -1  37 17 o 194.334 27.394 8.4175  2.1919 0.0000  0.0000  8.4175  2.1919 ?       ?      194.334 27.394 0.000000       27.39367 
1 1 1 -1  37 18 o 129.081 22.418 3.7203  1.1810 6.1826  1.6583  1.1862  1.6823 166.673 24.201 85.544  32.929 81.12901       40.86605 
1 1 1 -1  37 19 f 206.368 18.888 9.2895  1.6324 9.1806  2.4325  9.3788  2.2018 201.098 29.434 204.779 25.973 -3.681015      39.25495 
1 1 1 -1  37 20 o 168.641 25.282 6.3963  1.7500 4.3764  2.2398  9.5617  2.8038 135.244 37.696 202.807 33.837 -67.56326      50.65503 
1 1 1 -1  37 21 o 138.418 26.815 4.4002  1.5151 3.0044  2.0221  6.1868  2.2877 113.644 36.802 161.310 34.531 -47.66586      50.46566 
1 1 1 -1  37 22 o 202.079 26.986 9.3159  2.2517 6.8822  2.6018  16.577  4.4942 167.727 37.564 258.514 42.531 -90.78712      56.74414 
1 1 1 -1  37 23 o 283.463 19.099 17.646  2.2794 15.346  3.2741  19.810  3.1753 257.145 30.671 296.339 25.552 -39.19385      39.91982 
1 1 1 -1  38 1  o 1124.80 16.477 269.206 7.8488 271.024 9.7476  265.855 13.236 1127.12 20.421 1112.62 28.091 14.50012       34.72961 
1 1 1 -1  38 2  o 461.332 18.243 45.337  3.5642 42.927  5.3851  47.215  4.7546 446.071 28.658 469.169 24.010 -23.09851      37.38704 
1 1 1 -1  38 3  o 871.970 18.952 162.053 6.9984 152.063 9.9404  171.872 9.8546 841.472 27.895 895.433 25.987 -53.96088      38.12414 
1 1 1 -1  38 4  o 231.753 39.882 12.008  3.7730 0.0000  0.0000  12.008  3.7730 ?       ?      231.753 39.882 0.000000       39.88194 
1 1 1 -1  38 5  o 493.566 17.241 51.873  3.6038 48.214  5.0342  55.719  5.1612 473.696 25.185 510.225 23.886 -36.52884      34.71101 
1 1 1 -1  38 6  o 276.592 22.476 16.463  2.6099 19.333  3.3409  11.970  4.1805 298.963 26.668 229.802 44.565 69.16052       51.93479 
1 1 1 -1  38 7  o 257.015 19.147 14.168  2.0691 12.431  2.4492  18.500  3.8670 239.628 24.478 290.930 31.910 -51.30157      40.21748 
1 1 1 -1  38 8  o 258.428 20.186 14.352  2.1916 12.646  2.6429  18.108  3.9213 241.196 26.301 287.324 32.815 -46.12810      42.05413 
1 1 1 -1  38 9  o 181.713 26.824 7.2568  2.0022 5.2979  2.4956  10.795  3.3541 152.575 38.595 219.360 37.450 -66.78473      53.77776 
1 1 1 -1  38 10 o 155.189 40.478 5.5148  2.6880 4.0309  4.8265  6.1820  3.2363 148.320 56.089 163.803 45.185 -15.48247      72.02554 
1 1 1 -1  38 11 o 573.815 15.771 70.232  3.8323 64.676  4.7569  80.507  6.4691 549.288 20.449 611.000 25.001 -61.71240      32.29900 
1 1 1 -1  38 12 o 135.304 27.846 4.1113  1.5424 8.7157  2.4315  1.0110  1.9952 197.999 29.932 89.127  35.396 108.8711       46.35522 
1 1 1 -1  38 13 o 173.251 31.296 6.7588  2.2117 0.0000  0.0000  6.7588  2.2117 ?       ?      173.251 31.296 0.000000       31.29572 
1 1 1 -1  38 14 o 140.489 34.681 4.5384  2.0509 0.0000  0.0000  4.5384  2.0509 ?       ?      140.489 34.681 0.000000       34.68095 
1 1 1 -1  38 15 f 157.529 30.234 5.6187  1.9436 0.0000  0.0000  5.6187  1.9436 ?       ?      157.529 30.234 0.000000       30.23359 
1 1 1 -1  38 16 o 338.843 16.608 24.622  2.3832 25.163  3.7900  24.269  3.0649 338.242 26.675 334.230 21.772 4.012299       34.43253 
1 1 1 -1  38 17 o 273.232 18.064 16.152  2.0785 17.672  3.2687  15.120  2.6930 281.921 27.737 261.960 24.562 19.96124       37.04913 
1 1 1 -1  38 18 o 128.336 28.123 3.7868  1.4862 -0.1525 1.9481  9.2730  2.2990 74.733  32.617 202.997 27.446 -128.2648      42.62776 
1 1 1 -1  38 19 o 63.416  26.362 0.2828  1.1681 0.1628  1.5495  0.4408  1.7778 70.035  29.807 77.393  32.377 -7.358551      44.00837 
1 1 1 -1  38 20 o 105.229 28.373 2.5677  1.2932 2.1992  1.8980  2.8870  1.7668 101.200 35.643 111.292 34.190 -10.09213      49.38993 
1 1 1 -1  38 21 o 83.952  27.836 1.5444  1.1540 1.5905  1.5503  1.4870  1.7283 88.441  32.086 88.851  33.572 -0.4098816     46.43965 
1 1 1 -1  38 22 o 157.765 36.816 6.1165  2.4149 6.1165  2.4149  0.0000  0.0000 157.765 36.816 ?       ?      0.000000       36.81619 
1 1 1 -1  38 23 o 179.968 25.290 7.3790  1.8743 3.1159  2.5736  12.194  2.7351 115.732 41.425 229.959 28.711 -114.2275      50.40134 
1 1 1 -1  39 1  o 476.993 18.423 48.500  3.7215 0.0000  0.0000  48.500  3.7215 ?       ?      476.993 18.423 0.000000       18.42303 
1 1 1 -1  39 2  f 415.563 17.669 36.794  3.1096 0.0000  0.0000  36.794  3.1096 ?       ?      415.563 17.669 0.000000       17.66944 
1 1 1 -1  39 3  o 552.704 13.046 64.907  3.0535 59.586  4.6337  68.991  4.0596 528.192 20.716 569.176 16.842 -40.98438      26.69804 
1 1 1 -1  39 4  o 279.456 17.234 16.700  2.0296 16.064  4.3253  16.880  2.2984 268.666 39.168 280.584 19.463 -11.91806      43.73690 
1 1 1 -1  39 5  o 202.145 18.076 8.7812  1.5311 2.7870  2.4051  12.866  1.9854 117.153 40.190 244.774 19.310 -127.6216      44.58781 
1 1 1 -1  39 6  o 138.711 24.734 4.2498  1.3997 5.1415  2.0699  3.4986  1.8998 151.130 33.244 124.948 34.679 26.18194       48.03962 
1 1 1 -1  39 7  o 357.398 14.162 27.178  2.1435 26.047  3.1339  28.173  2.9384 348.174 21.357 362.654 19.201 -14.48074      28.71943 
1 1 1 -1  39 8  f 248.885 22.134 13.385  2.3086 17.983  4.7271  11.945  2.6455 282.873 40.626 233.768 27.233 49.10439       48.90946 
1 1 1 -1  39 9  o 177.901 26.514 6.9757  1.9366 0.7595  4.6453  8.2833  2.1305 121.987 51.754 194.138 26.614 -72.15117      58.19613 
1 1 1 -1  39 10 o 261.599 20.939 14.779  2.3003 15.846  5.4098  14.544  2.5415 259.541 51.038 258.858 23.438 0.6824036      56.16190 
1 1 1 -1  39 11 o 503.846 16.583 54.258  3.5383 49.044  7.2783  55.872  4.0490 469.228 36.925 510.632 18.724 -41.40329      41.40113 
1 1 1 -1  39 12 o 460.927 17.436 45.493  3.4035 40.290  6.8459  47.202  3.9226 423.186 38.625 468.760 19.760 -45.57352      43.38618 
1 1 1 -1  39 13 o 234.725 24.755 12.073  2.4236 6.2327  3.2800  19.097  3.5968 162.326 45.749 294.018 29.276 -131.6925      54.31460 
1 1 1 -1  39 14 o 136.290 27.886 4.2000  1.5553 3.9808  2.8501  4.2930  1.8560 133.005 43.727 136.736 32.525 -3.730179      54.49722 
1 1 1 -1  39 15 o 115.216 28.772 3.0306  1.3997 2.1857  2.2098  3.5966  1.8087 105.461 38.301 124.883 33.505 -19.42194      50.88773 
1 1 1 -1  39 16 o 116.871 27.417 3.1227  1.3336 2.7205  1.9399  3.4830  1.8363 110.495 36.063 122.502 34.127 -12.00779      49.65114 
1 1 1 -1  39 17 o 214.359 21.834 10.112  1.9544 6.4070  2.6305  14.678  2.9199 163.608 38.591 256.132 27.342 -92.52472      47.29494 
1 1 1 -1  39 18 o 139.447 30.179 4.5173  1.7305 5.2520  2.3471  3.6424  2.5613 147.892 37.440 124.879 41.472 23.01307       55.87206 
1 1 1 -1  39 19 o 168.040 21.376 6.2656  1.4868 3.5264  2.1164  8.9343  2.0890 121.907 37.414 199.461 25.299 -77.55433      45.16521 
1 1 1 -1  39 20 o 88.153  27.524 1.7561  1.1399 1.3652  1.5576  2.2067  1.6725 85.169  31.937 99.229  33.518 -14.05989      46.29678 
1 1 1 -1  39 21 o 122.886 25.233 3.4923  1.2692 3.9028  1.8059  3.0916  1.7841 127.078 33.193 113.487 34.253 13.59088       47.69775 
1 1 1 -1  39 22 o 151.038 30.949 5.4228  1.9130 5.3718  2.2315  5.5641  3.7159 147.749 35.995 144.801 49.939 2.948105       61.55919 
1 1 1 -1  40 1  o 155.672 25.651 5.3393  1.6321 3.7182  2.7814  6.1906  2.0156 131.707 43.192 166.980 29.587 -35.27281      52.35418 
1 1 1 -1  40 2  o 302.571 18.336 19.606  2.3384 15.722  4.6763  20.901  2.7002 263.800 43.365 312.000 20.551 -48.19931      47.98864 
1 1 1 -1  40 3  o 305.575 17.536 19.980  2.2597 13.810  4.3861  22.210  2.6366 246.699 43.576 321.856 19.435 -75.15669      47.71361 
1 1 1 -1  40 4  f 465.237 15.378 46.097  3.0298 44.687  5.7584  46.637  3.5629 453.433 30.160 467.454 17.998 -14.02106      35.12180 
1 1 1 -1  40 5  o 202.435 25.429 8.9520  2.1319 13.295  4.1079  7.3512  2.4941 242.298 41.528 180.999 33.780 61.29938       53.53216 
1 1 1 -1  40 6  o 264.404 20.881 15.068  2.3190 13.417  4.5063  15.663  2.7047 241.555 45.726 268.860 24.007 -27.30461      51.64491 
1 1 1 -1  40 7  o 130.468 34.189 3.8609  1.9118 6.5718  4.2018  3.1531  2.1470 168.885 52.864 119.916 37.827 48.96874       65.00383 
1 1 1 -1  40 8  o 349.109 17.992 26.134  2.6510 16.672  5.2985  29.294  3.0617 267.632 48.537 369.225 19.652 -101.5936      52.36398 
1 1 1 -1  40 9  o 357.987 24.822 27.820  3.7398 21.433  5.9528  31.984  4.8069 303.888 47.837 381.884 29.963 -77.99622      56.44614 
1 1 1 -1  40 10 o 258.404 19.237 14.403  2.0900 13.687  2.7391  15.402  3.2336 249.874 26.279 264.132 29.407 -14.25865      39.43798 
1 1 1 -1  40 11 o 321.238 15.751 22.062  2.1428 21.126  3.2383  22.790  2.8579 311.258 24.772 324.691 20.895 -13.43286      32.40757 
1 1 1 -1  40 12 o 247.375 18.327 13.207  1.9063 11.410  2.7081  14.972  2.6840 226.623 28.873 261.604 24.512 -34.98131      37.87484 
1 1 1 -1  40 13 o 183.266 25.844 7.4510  1.9501 6.9248  2.4219  8.4212  3.2887 173.787 34.125 188.912 42.175 -15.12444      54.25185 
1 1 1 -1  40 14 o 177.843 24.181 7.0000  1.7740 7.6031  2.8057  6.5983  2.2897 180.430 37.923 169.570 33.073 10.86049       50.31883 
1 1 1 -1  40 15 o 186.283 20.867 7.6092  1.6179 8.3532  2.4479  7.0321  2.1560 191.478 31.267 175.839 30.031 15.63913       43.35266 
1 1 1 -1  40 16 o 220.244 20.654 10.631  1.9039 7.3226  2.4952  15.242  2.9456 176.942 34.539 261.162 27.024 -84.22011      43.85470 
1 1 1 -1  40 17 f 83.911  29.819 1.4194  1.3313 -0.1508 1.7770  3.4283  2.0100 71.233  31.119 120.597 36.347 -49.36440      47.84862 
1 1 1 -1  40 18 f 71.179  28.184 0.7010  1.2614 -0.7835 2.0249  1.6425  1.6126 70.444  31.830 90.398  32.735 -19.95497      45.65919 
1 1 1 -1  40 19 o 214.681 19.187 10.127  1.7260 10.057  2.5810  10.183  2.3216 208.645 30.079 211.935 26.441 -3.290604      40.04848 
1 1 1 -1  40 20 o 53.568  23.424 -0.1287 1.0091 1.0079  1.4071  -1.3323 1.4479 77.504  30.036 53.436  25.105 24.06814       39.14595 
1 1 1 -1  40 21 o 90.902  27.153 1.9137  1.1254 2.6807  1.5590  1.0791  1.6262 106.123 32.017 81.421  32.076 24.70165       45.32019 
1 1 1 -1  41 1  o 223.210 18.701 10.724  1.7514 8.1007  2.7161  12.590  2.2915 189.659 35.109 241.120 22.708 -51.46074      41.81313 
1 1 1 -1  41 2  o 302.542 16.605 19.588  2.1193 16.633  3.2191  21.848  2.8156 275.971 27.928 318.604 20.985 -42.63339      34.93365 
1 1 1 -1  41 3  o 268.169 17.742 15.430  2.0035 12.382  3.1176  17.574  2.6150 236.455 31.952 285.360 21.804 -48.90440      38.68254 
1 1 1 -1  41 4  o 399.543 16.072 34.059  2.7195 38.150  5.1854  32.507  3.1940 418.191 29.468 389.672 19.355 28.51816       35.25599 
1 1 1 -1  41 5  o 481.833 13.601 49.439  2.7753 46.190  4.1482  52.072  3.7342 463.887 21.115 493.484 17.868 -29.59702      27.66107 
1 1 1 -1  41 6  o 218.816 19.649 10.344  1.8014 2.8648  2.6147  17.102  2.4853 118.812 41.836 281.444 21.003 -162.6318      46.81184 
1 1 1 -1  41 7  f 92.551  31.961 1.7248  1.5223 -1.0305 2.1408  4.5427  2.1650 72.339  32.704 140.738 36.138 -68.39912      48.73888 
1 1 1 -1  41 8  o 366.612 15.139 28.696  2.3504 24.624  3.5861  31.763  3.1120 336.220 25.372 384.766 19.098 -48.54608      31.75701 
1 1 1 -1  41 9  o 288.963 15.789 17.902  1.9248 15.781  2.8353  19.715  2.6214 268.630 25.219 302.003 20.620 -33.37335      32.57536 
1 1 1 -1  41 10 o 245.878 18.271 13.045  1.8889 10.880  2.8794  14.680  2.5027 220.184 31.801 259.550 23.007 -39.36670      39.25122 
1 1 1 -1  41 11 o 290.931 15.896 18.171  1.9510 14.221  2.8711  21.560  2.6594 253.828 27.130 315.767 19.990 -61.93971      33.69902 
1 1 1 -1  41 12 f 252.939 17.592 13.803  1.8726 16.379  2.6546  11.252  2.6421 273.875 23.103 224.819 28.383 49.05544       36.59718 
1 1 1 -1  41 13 o 188.859 25.835 7.9329  2.0121 8.1070  2.5265  7.6308  3.3271 188.323 32.875 178.022 44.308 10.30112       55.17155 
1 1 1 -1  41 14 o 311.375 20.605 21.105  2.7018 15.306  3.4647  30.104  4.3157 259.761 32.184 368.160 27.888 -108.3991      42.58580 
1 1 1 -1  41 15 o 111.019 33.064 2.8502  1.6706 5.4002  2.5925  1.0394  2.1847 149.435 40.121 90.361  36.639 59.07404       54.33386 
1 1 1 -1  41 16 o 135.195 24.349 4.1399  1.3428 3.3598  1.9391  4.8588  1.8614 119.352 35.639 144.111 31.388 -24.75880      47.49098 
1 1 1 -1  41 17 o 67.454  27.795 0.4125  1.2825 -0.4582 1.9607  1.0636  1.6955 71.799  31.967 83.213  32.762 -11.41439      45.77339 
1 1 1 -1  41 18 o 231.247 18.657 11.715  1.8116 10.780  2.7107  12.470  2.4353 215.911 30.494 235.713 24.767 -19.80147      39.28493 
1 1 1 -1  41 19 o 227.919 19.574 11.467  1.8710 11.313  2.9350  11.573  2.4284 218.811 32.675 225.634 25.882 -6.822784      41.68349 
1 1 1 -1  41 20 o 161.116 22.894 5.8799  1.5181 6.4598  2.1967  5.3498  2.1004 163.845 32.804 148.032 34.194 15.81351       47.38458 
1 1 1 -1  41 21 o 141.331 23.992 4.5778  1.3846 3.3393  1.9823  5.7578  1.9349 116.811 36.269 155.648 30.445 -38.83729      47.35302 
1 1 1 -1  42 1  o 214.029 19.960 9.9089  1.7883 8.6505  2.8367  10.739  2.3037 195.381 35.595 221.615 24.982 -26.23421      43.48728 
1 1 1 -1  42 2  o 538.163 13.217 61.683  3.0123 52.470  4.4650  69.380  4.0810 494.053 21.340 569.700 16.915 -75.64645      27.23099 
1 1 1 -1  42 3  o 188.535 27.059 7.8580  2.0985 6.5374  2.6862  9.9262  3.3616 168.412 38.502 208.045 39.601 -39.63301      55.23285 
1 1 1 -1  42 4  o 153.221 27.117 5.2385  1.6952 9.0579  2.7885  2.9995  2.1350 200.341 34.088 117.108 37.805 83.23377       50.90353 
1 1 1 -1  42 5  o 139.239 29.311 4.3807  1.6737 5.2066  2.6290  3.8178  2.1704 149.832 40.477 129.420 37.457 20.41211       55.14887 
1 1 1 -1  42 6  o 256.095 18.558 14.138  1.9990 16.531  3.0423  12.321  2.6517 274.628 26.487 236.596 26.946 38.03175       37.78445 
1 1 1 -1  42 7  o 243.776 18.862 12.833  1.9321 12.839  2.9506  12.829  2.5565 240.496 29.595 241.877 25.334 -1.380905      38.95726 
1 1 1 -1  42 8  o 210.797 24.834 9.7716  2.1744 11.196  2.9793  8.1483  3.1806 223.090 32.489 186.442 41.365 36.64815       52.59862 
1 1 1 -1  42 9  o 150.121 25.111 5.0238  1.5400 3.0491  2.2607  6.7335  2.1036 117.807 38.954 172.826 29.819 -55.01883      49.05737 
1 1 1 -1  42 10 o 295.891 16.138 18.813  2.0146 17.298  2.8963  20.232  2.8042 280.984 24.587 305.072 21.849 -24.08835      32.89281 
1 1 1 -1  42 11 o 487.649 13.875 50.822  2.8654 50.011  4.1929  51.533  3.9250 481.086 20.580 489.099 18.950 -8.012329      27.97543 
1 1 1 -1  42 12 o 431.758 16.970 40.071  3.1029 34.581  3.8173  50.761  5.3270 398.146 22.734 480.323 26.288 -82.17667      34.75493 
1 1 1 -1  42 13 o 186.227 26.875 7.7905  2.0581 8.1815  2.6539  7.2006  3.2600 187.604 34.682 171.507 44.501 16.09647       56.41935 
1 1 1 -1  42 14 o 207.318 26.874 9.6707  2.3040 8.4260  3.0776  11.258  3.4750 186.900 40.085 217.321 39.201 -30.42076      56.06710 
1 1 1 -1  42 15 o 93.616  31.016 1.9323  1.4329 3.9235  2.4250  0.8642  1.7761 127.942 40.179 82.002  33.111 45.94044       52.06450 
1 1 1 -1  42 16 o 85.412  30.210 1.5014  1.3649 2.2325  2.1456  1.0045  1.7689 103.379 37.711 83.439  33.267 19.93956       50.28737 
1 1 1 -1  42 17 o 250.910 18.512 13.777  1.9532 12.410  2.9187  14.887  2.6285 231.801 30.471 257.899 24.355 -26.09756      39.00793 
1 1 1 -1  42 18 o 311.693 17.447 21.221  2.2937 17.807  3.3982  24.078  3.1086 277.797 29.329 328.838 22.457 -51.04047      36.93909 
1 1 1 -1  42 19 o 288.996 17.659 18.310  2.1508 18.638  3.2638  18.057  2.8596 284.947 27.384 282.901 24.098 2.045868       36.47737 
1 1 1 -1  42 20 o 79.060  29.186 1.2332  1.2909 0.6874  2.0971  1.5663  1.6381 83.232  35.012 88.055  32.804 -4.823158      47.97842 
1 1 1 -1  43 1  o 72.002  30.609 0.1081  1.6304 1.0948  2.5734  -0.5536 2.1073 98.025  39.759 75.255  33.341 22.77000       51.88862 
1 1 1 -1  43 2  o 231.361 18.924 11.566  1.8380 9.0766  2.7268  13.638  2.4881 200.424 33.295 249.989 23.789 -49.56480      40.91992 
1 1 1 -1  43 3  o 157.012 30.015 5.5691  1.9230 5.6401  2.4490  5.4550  3.1056 155.973 37.531 152.624 44.990 3.349701       58.58879 
1 1 1 -1  43 4  o 177.498 29.829 7.0782  2.1627 8.2310  2.7338  5.1501  3.5356 189.775 35.316 149.512 48.681 40.26193       60.14183 
1 1 1 -1  43 5  o 122.745 31.193 3.4441  1.6248 2.4793  2.6276  4.0413  2.0675 113.361 41.674 132.361 35.953 -18.99973      55.03921 
1 1 1 -1  43 6  o 206.790 21.267 9.3226  1.8359 9.3199  2.8977  9.3243  2.3729 201.998 35.151 204.672 28.119 -2.674850      45.01394 
1 1 1 -1  43 7  o 212.395 20.636 9.8202  1.8327 9.3337  2.8220  10.175  2.4101 202.382 34.141 214.158 27.187 -11.77602      43.64289 
1 1 1 -1  43 8  o 312.159 16.584 20.954  2.1845 20.768  3.3119  21.097  2.9064 307.531 25.664 311.363 22.187 -3.832214      33.92472 
1 1 1 -1  43 9  o 138.891 26.502 4.3513  1.5019 2.6153  2.2596  5.7254  2.0103 111.425 38.913 158.326 31.092 -46.90009      49.80894 
1 1 1 -1  43 10 o 135.043 30.461 4.1919  1.7006 2.5402  2.3130  6.1352  2.5089 110.603 39.305 161.595 37.401 -50.99144      54.25581 
1 1 1 -1  43 11 o 267.549 19.751 15.566  2.2220 12.025  2.9415  20.272  3.3912 230.523 30.909 302.383 26.759 -71.85905      40.88232 
1 1 1 -1  43 12 o 116.466 32.797 3.1572  1.6864 2.6528  2.0798  4.1252  2.8813 109.680 37.376 132.534 43.985 -22.85396      57.72026 
1 1 1 -1  43 13 f 216.374 39.859 11.245  3.5178 0.0000  0.0000  11.245  3.5178 ?       ?      216.374 39.859 0.000000       39.85917 
1 1 1 -1  43 14 o 195.064 22.700 8.4666  1.8401 7.7955  2.7454  9.0140  2.4796 180.141 37.218 197.660 30.611 -17.51891      48.18979 
1 1 1 -1  43 15 o 164.500 23.623 6.0847  1.5984 7.2924  2.5866  5.3385  2.0331 174.268 36.230 150.049 32.901 24.21924       48.93982 
1 1 1 -1  43 16 o 132.536 28.232 4.0986  1.5360 6.5303  2.5716  2.7497  1.9153 163.206 37.929 108.769 35.850 54.43752       52.18986 
1 1 1 -1  43 17 o 168.900 22.437 6.4244  1.5651 7.0136  2.3348  5.9437  2.1092 170.847 33.467 157.361 32.717 13.48592       46.80226 
1 1 1 -1  43 18 o 146.941 24.802 4.9721  1.4884 4.0142  2.1489  5.8555  2.0636 126.676 37.447 155.760 32.343 -29.08344      49.48037 
1 1 1 -1  43 19 o 102.723 34.975 2.4728  1.8212 5.0493  2.1493  -4.0887 3.4299 142.362 35.711 74.266  35.896 68.09623       50.63380 
1 1 1 -1  44 1  o 493.882 13.362 52.058  2.7948 50.263  4.0647  53.669  3.8491 482.990 19.872 499.789 18.186 -16.79913      26.93718 
1 1 1 -1  44 2  o 167.360 24.923 6.2163  1.7125 8.3253  2.5648  4.5196  2.3004 191.407 32.822 139.293 37.961 52.11353       50.18285 
1 1 1 -1  44 3  f 177.708 34.350 7.2480  2.4915 9.6367  3.8102  5.4637  3.2932 200.558 45.858 152.002 46.674 48.55582       65.43269 
1 1 1 -1  44 4  o 172.156 23.473 6.5436  1.6667 4.9897  2.6007  7.6266  2.1712 145.684 40.625 184.365 28.746 -38.68144      49.76650 
1 1 1 -1  44 5  o 195.457 21.843 8.3665  1.7772 8.9657  2.8242  7.9738  2.2866 197.663 35.020 188.184 29.676 9.478394       45.90277 
1 1 1 -1  44 6  o 136.363 29.658 4.2498  1.6640 5.4136  2.6276  3.4707  2.1500 151.325 40.287 123.086 37.699 28.23923       55.17465 
1 1 1 -1  44 7  o 254.164 18.528 13.983  1.9805 11.325  3.1728  15.680  2.5350 222.438 34.823 267.859 22.558 -45.42039      41.49129 
1 1 1 -1  44 8  o 185.928 29.436 7.8108  2.2405 9.5493  4.5104  7.2413  2.5816 194.812 53.180 176.402 35.781 18.41061       64.09697 
1 1 1 -1  44 9  o 125.766 28.618 3.6301  1.4899 3.9588  2.0484  3.2607  2.1711 129.965 35.987 119.429 38.078 10.53651       52.39253 
1 1 1 -1  44 10 f 201.599 22.075 8.9545  1.8538 8.8874  2.5345  9.0316  2.7187 197.067 31.424 197.641 33.690 -0.5740204     46.07033 
1 1 1 -1  44 11 o 119.822 30.068 3.3427  1.5233 3.6524  2.4385  3.1445  1.9508 124.765 40.416 116.223 35.962 8.542046       54.09885 
1 1 1 -1  44 12 f 216.251 25.061 10.475  2.2525 6.8787  2.8548  16.406  3.6664 167.408 40.670 266.225 33.244 -98.81737      52.52834 
1 1 1 -1  44 13 o 111.573 35.095 2.9130  1.8493 2.4819  2.3929  3.5522  2.9139 108.264 39.774 123.899 44.107 -15.63593      59.39164 
1 1 1 -1  44 14 o 216.264 20.107 10.308  1.8204 9.7853  2.8367  10.673  2.3737 203.540 34.116 217.148 26.352 -13.60767      43.10835 
1 1 1 -1  44 15 o 112.692 29.130 2.9930  1.4004 3.6635  2.3310  2.6143  1.7517 122.821 39.487 105.919 34.249 16.90186       52.27050 
1 1 1 -1  44 16 o 175.045 23.742 6.9484  1.7146 5.8991  2.7767  7.5951  2.1798 151.489 41.880 180.023 29.622 -28.53342      51.29731 
1 1 1 -1  44 17 o 196.080 29.048 9.0113  2.3391 8.8915  2.9162  9.2276  3.9171 188.752 37.801 182.509 49.450 6.243378       62.24316 
1 1 1 -1  44 18 o 243.723 24.044 13.489  2.4494 15.336  2.9720  9.5783  4.3245 257.243 27.719 181.755 52.951 75.48776       59.76754 
1 1 1 -1  45 1  o 318.288 16.109 21.783  2.1643 20.041  3.3848  22.988  2.8150 301.220 26.815 325.474 20.528 -24.25400      33.77033 
1 1 1 -1  45 2  o 137.874 28.435 4.3273  1.6051 3.2744  2.5727  4.9984  2.0539 121.911 41.569 146.817 33.741 -24.90623      53.53898 
1 1 1 -1  45 3  o 238.182 26.921 12.593  2.6678 12.445  4.0994  12.702  3.5137 228.555 43.949 234.895 36.508 -6.340149      57.13424 
1 1 1 -1  45 4  o 269.618 20.857 15.826  2.3630 15.784  2.9923  15.896  3.8515 266.904 26.837 263.708 35.379 3.196411       44.40657 
1 1 1 -1  45 5  o 136.421 35.789 4.3587  2.0934 6.7892  2.6875  0.6085  3.3383 169.630 38.316 102.563 43.704 67.06769       58.12151 
1 1 1 -1  45 6  o 134.635 36.287 4.2574  2.1158 6.1756  2.6573  0.9350  3.4972 161.117 39.297 106.745 45.075 54.37193       59.79943 
1 1 1 -1  45 7  o 81.062  33.158 0.6842  1.8085 -2.4608 2.5563  3.8355  2.5589 70.205  33.098 128.468 41.379 -58.26278      52.98786 
1 1 1 -1  45 8  o 354.290 15.162 26.953  2.2749 29.707  3.5711  25.073  2.9512 367.972 23.032 339.121 20.648 28.85107       30.93233 
1 1 1 -1  45 9  o 196.611 20.569 8.4989  1.6873 9.4475  2.6937  7.8863  2.1645 202.192 32.564 186.303 28.327 15.88930       43.16071 
1 1 1 -1  45 10 o 216.783 20.209 10.326  1.8339 11.964  2.9899  9.3373  2.3220 227.758 31.871 202.845 27.759 24.91283       42.26540 
1 1 1 -1  45 11 o 145.903 29.312 4.9513  1.7483 5.2115  2.8042  4.7859  2.2360 144.626 42.784 140.432 37.058 4.193665       56.60206 
1 1 1 -1  45 12 f 281.916 19.642 17.433  2.3304 17.056  2.9854  18.020  3.7283 275.374 25.904 278.848 32.162 -3.473724      41.29630 
1 1 1 -1  45 13 o 308.057 21.317 20.957  2.7639 14.962  3.5902  29.680  4.3307 251.721 34.593 361.206 28.544 -109.4847      44.84879 
1 1 1 -1  45 14 o 256.154 19.401 14.444  2.0890 10.498  3.1876  17.415  2.7657 207.500 37.661 278.910 23.638 -71.41028      44.46468 
1 1 1 -1  45 15 o 249.952 24.556 14.148  2.5657 11.720  3.3102  17.802  4.0606 218.625 37.078 270.919 36.306 -52.29395      51.89298 
1 1 1 -1  45 16 o 182.731 30.565 7.9419  2.2818 8.5822  2.8577  6.8156  3.7900 185.047 37.745 155.483 50.388 29.56419       62.95726 
1 1 1 -1  45 17 o 115.486 36.495 3.3163  1.9978 1.1342  2.4530  7.6150  3.4429 91.428  38.122 166.281 46.874 -74.85220      60.41862 
1 1 1 -1  45 18 o 69.200  27.919 0.6443  1.2617 3.1539  2.0413  -0.9074 1.6051 112.997 36.999 59.768  27.511 53.22892       46.10593 
1 1 1 -1  46 1  o 140.816 32.953 4.6189  1.9303 3.3765  2.6245  6.0831  2.8491 122.800 41.985 158.871 41.787 -36.07114      59.23557 
1 1 1 -1  46 2  o 192.782 25.094 8.2736  2.0001 5.2530  2.5746  12.872  3.1767 148.189 40.065 237.729 32.397 -89.53986      51.52427 
1 1 1 -1  46 3  f 177.173 48.943 7.8384  3.7939 7.8384  3.7939  0.0000  0.0000 177.173 48.943 ?       ?      0.000000       48.94326 
1 1 1 -1  46 4  o 205.697 26.305 9.4604  2.2390 12.232  2.8892  5.2940  3.5426 232.540 30.040 147.925 48.756 84.61485       57.26767 
1 1 1 -1  46 5  o 153.426 30.253 5.4227  1.8958 4.1475  2.6635  6.7322  2.6991 132.404 42.171 167.754 38.770 -35.34961      57.28469 
1 1 1 -1  46 6  o 175.319 27.139 6.9547  1.9499 4.2362  3.9859  7.8099  2.2356 137.464 51.178 184.962 29.535 -47.49870      59.08902 
1 1 1 -1  46 7  o 86.193  32.226 1.3718  1.5837 0.4652  3.3422  1.6342  1.7984 99.964  43.179 92.473  34.387 7.490181       55.19840 
1 1 1 -1  46 8  o 161.995 26.295 5.9658  1.7421 13.418  3.4269  3.3688  2.0230 239.389 34.823 119.298 36.573 120.0909       50.49985 
1 1 1 -1  46 9  f 230.559 18.922 11.644  1.8313 14.180  2.9698  10.088  2.3261 249.547 28.619 211.084 26.613 38.46335       39.08107 
1 1 1 -1  46 10 o 177.586 22.160 7.0416  1.6303 5.1299  2.5428  8.3759  2.1243 143.767 40.198 191.707 26.907 -47.93968      48.37251 
1 1 1 -1  46 11 o 232.481 22.528 12.036  2.1901 10.860  2.6739  14.433  3.8177 216.771 29.925 244.506 38.112 -27.73473      48.45665 
1 1 1 -1  46 12 o 222.398 22.991 11.065  2.1342 11.187  2.6410  10.836  3.6231 220.270 29.018 207.492 42.657 12.77792       51.59122 
1 1 1 -1  46 13 o 226.128 26.738 11.696  2.5110 13.947  3.2986  8.5952  3.8721 242.766 32.934 177.868 49.559 64.89789       59.50463 
1 1 1 -1  46 14 o 106.686 34.946 2.7216  1.8210 -2.3397 2.3683  10.041  2.8480 65.676  31.226 203.641 34.239 -137.9646      46.34017 
1 1 1 -1  46 15 f 141.986 35.289 5.0418  2.1127 4.9074  2.6658  5.2688  3.4644 136.665 41.998 138.889 48.201 -2.223618      63.93067 
1 1 1 -1  46 16 o 188.025 27.211 8.2623  2.1037 0.0000  0.0000  8.2623  2.1037 ?       ?      188.025 27.211 0.000000       27.21051 
1 1 1 -1  46 17 o 135.165 35.035 4.5890  2.0220 0.0000  0.0000  4.5890  2.0220 ?       ?      135.165 35.035 0.000000       35.03538 
1 1 1 -1  47 1  o 84.212  35.866 0.3529  2.2463 5.2865  3.5400  -2.9727 2.9064 146.513 48.760 73.169  34.732 73.34327       59.86518 
1 1 1 -1  47 2  o 145.833 38.563 5.1382  2.4180 11.813  3.7693  0.4700  3.1521 220.734 41.854 97.723  42.072 123.0118       59.34506 
1 1 1 -1  47 3  o 123.165 43.855 3.4224  2.8809 0.0000  0.0000  3.4224  2.8809 ?       ?      123.165 43.855 0.000000       43.85502 
1 1 1 -1  47 4  o 178.330 33.480 7.4604  2.4356 7.6015  3.8429  7.3657  3.1487 171.520 49.900 172.147 43.247 -0.6269684     66.03265 
1 1 1 -1  47 5  f 104.782 37.141 2.3767  2.0640 5.6284  3.4912  0.6293  2.5592 149.160 48.363 90.815  38.465 58.34478       61.79419 
1 1 1 -1  47 6  o 145.112 36.336 5.0941  2.2280 11.665  3.5423  0.7934  2.8659 219.344 39.591 95.927  40.671 123.4168       56.75923 
1 1 1 -1  47 7  o 60.089  28.035 -1.4080 1.7541 4.8366  2.4747  -7.7130 2.4867 139.908 39.846 49.391  24.939 90.51691       47.00703 
1 1 1 -1  47 8  o 363.308 18.909 28.871  2.8992 32.772  3.6410  22.112  4.7927 384.660 22.449 303.393 38.145 81.26666       44.26021 
1 1 1 -1  47 9  o 193.969 25.110 8.5190  2.0142 9.1425  2.4445  7.2004  3.5548 198.423 30.029 165.298 47.965 33.12538       56.58982 
1 1 1 -1  47 10 o 131.313 30.789 4.1005  1.6825 4.9242  1.9395  1.5960  3.3820 143.307 32.682 106.858 44.676 36.44907       55.35429 
1 1 1 -1  47 11 o 218.901 25.331 10.878  2.3049 8.7122  2.8777  14.754  3.8497 188.425 37.383 245.750 38.233 -57.32495      53.47191 
1 1 1 -1  47 12 o 107.774 29.827 2.7732  1.4075 2.3486  2.2468  3.0475  1.8058 103.654 38.457 112.123 34.584 -8.468170      51.72091 
1 1 1 -1  47 13 o 162.736 34.669 6.5322  2.3161 0.0000  0.0000  6.5322  2.3161 ?       ?      162.736 34.669 0.000000       34.66880 
1 1 1 -1  47 14 o 94.257  36.844 1.7422  2.1313 0.0000  0.0000  1.7422  2.1313 ?       ?      94.257  36.844 0.000000       36.84442 
1 1 1 -1  47 15 o 155.287 37.011 6.1482  2.3994 0.0000  0.0000  6.1482  2.3994 ?       ?      155.287 37.011 0.000000       37.01073 
1 1 1 -1  47 16 o 237.958 27.270 13.208  2.6985 0.0000  0.0000  13.208  2.6985 ?       ?      237.958 27.270 0.000000       27.27007 
1 1 1 -1  48 1  o 251.876 24.810 14.223  2.6121 0.0000  0.0000  14.223  2.6121 ?       ?      251.876 24.810 0.000000       24.81003 
1 1 1 -1  48 2  o 71.863  30.909 0.1136  1.6980 1.7636  3.3508  -0.4565 1.9696 108.773 44.887 71.676  31.966 37.09759       55.10602 
1 1 1 -1  48 3  o 178.961 25.665 7.2733  1.8894 9.9657  3.5901  6.2418  2.2221 198.720 43.836 161.853 33.521 36.86684       55.18425 
1 1 1 -1  48 4  o 112.817 34.891 3.0209  1.8366 6.8175  3.4909  1.5680  2.1596 161.372 47.736 94.654  37.063 66.71805       60.43526 
1 1 1 -1  48 5  o 295.421 19.570 19.174  2.4345 10.615  5.1467  21.640  2.7631 192.417 58.201 313.102 20.960 -120.6854      61.85993 
1 1 1 -1  48 6  o 161.946 29.729 6.1357  1.9638 1.0862  4.3288  7.4442  2.2036 111.830 48.719 178.480 30.233 -66.64919      57.33758 
1 1 1 -1  48 7  o 222.791 21.773 11.052  2.0280 4.5427  4.7134  12.531  2.2466 138.014 54.532 236.868 22.674 -98.85458      59.05791 
1 1 1 -1  48 8  f 207.008 22.093 9.5769  1.9069 10.135  4.9719  9.4807  2.0648 187.213 57.326 204.868 24.270 -17.65544      62.25226 
1 1 1 -1  48 9  o 139.010 32.384 4.6570  1.8710 -1.0421 4.6333  5.7674  2.0452 102.196 46.929 155.184 32.176 -52.98788      56.90038 
1 1 1 -1  48 10 o 223.925 22.537 11.263  2.1081 14.082  5.3573  10.747  2.2931 219.750 57.061 217.024 25.433 2.726730       62.47197 
1 1 1 -1  48 11 o 120.230 34.499 3.5757  1.8483 4.7014  5.3347  3.4222  1.9703 136.662 56.536 117.451 36.108 19.21127       67.08278 
1 1 1 -1  48 12 o 243.064 23.406 13.421  2.3795 14.593  5.5897  13.162  2.6297 216.195 59.279 238.473 26.487 -22.27705      64.92694 
1 1 1 -1  48 13 o 190.669 28.376 8.5937  2.2215 0.0000  0.0000  8.5937  2.2215 ?       ?      190.669 28.376 0.000000       28.37649 
1 1 1 -1  48 14 o 70.674  30.068 0.3510  1.5756 -2.1274 2.4908  2.0046  2.0345 68.077  32.267 96.179  36.405 -28.10173      48.64666 
1 1 1 -1  48 15 o 173.537 26.233 7.0468  1.8677 8.9873  2.9357  5.7272  2.4208 187.128 38.334 148.462 38.263 38.66539       54.16227 
1 1 1 -1  49 1  o 267.781 18.626 15.738  2.0991 15.057  3.2855  16.208  2.7286 254.108 31.185 268.544 24.254 -14.43597      39.50689 
1 1 1 -1  49 2  f 64.784  29.661 -0.9444 1.8322 -0.9007 2.5848  -0.9885 2.5975 78.372  35.631 77.994  35.559 0.3782272      50.33888 
1 1 1 -1  49 3  o 111.232 34.248 2.9579  1.7718 -2.8810 3.8131  4.5657  2.0009 85.090  40.210 136.907 34.519 -51.81665      52.99457 
1 1 1 -1  49 4  o 112.251 34.603 3.0230  1.8080 3.2391  3.9123  2.9643  2.0388 123.522 49.399 111.691 36.997 11.83111       61.71751 
1 1 1 -1  49 5  o 133.952 32.974 4.3420  1.8580 1.0598  4.1966  5.1421  2.0721 109.656 47.865 145.373 34.225 -35.71651      58.84253 
1 1 1 -1  49 6  o 65.603  29.512 -0.5400 1.7183 -2.9312 4.1638  -0.0491 1.8865 88.759  41.966 73.146  32.006 15.61253       52.77827 
1 1 1 -1  49 7  o 75.455  31.191 0.6190  1.6220 -7.0780 4.3841  1.8397  1.7459 77.252  38.025 93.206  34.014 -15.95374      51.01854 
1 1 1 -1  49 8  o 99.245  32.454 2.3062  1.5708 -2.5072 4.6219  2.9347  1.6702 94.708  44.606 110.122 33.120 -15.41366      55.55781 
1 1 1 -1  49 9  o 70.233  27.986 0.7237  1.2512 0.1611  1.8397  1.2077  1.7065 73.748  31.945 83.529  32.873 -9.780609      45.83826 
1 1 1 -1  49 10 o 145.023 24.880 4.8876  1.4730 5.9775  2.2625  4.0857  1.9406 154.406 35.361 127.526 34.912 26.87992       49.69206 
1 1 1 -1  49 11 o 118.078 33.427 3.4829  1.7470 3.7091  2.3523  3.2047  2.6088 119.933 39.740 113.719 41.567 6.214058       57.50700 
1 1 1 -1  49 12 o 92.638  30.948 2.0189  1.4257 3.4063  2.2950  1.1469  1.8194 115.462 39.261 83.334  33.560 32.12779       51.65008 
1 1 1 -1  49 13 o 76.892  30.502 0.9883  1.4801 2.0398  2.1265  0.0001  2.0614 96.962  37.095 75.068  33.131 21.89392       49.73633 
1 1 1 -1  50 1  o 258.311 18.006 14.659  1.9574 9.1748  2.9148  19.164  2.6416 192.959 37.017 293.380 21.410 -100.4210      42.76214 
1 1 1 -1  50 2  o 120.077 36.254 3.5544  1.9983 2.4662  2.6888  4.8971  2.9867 107.983 41.613 137.053 44.749 -29.07034      61.10694 
1 1 1 -1  50 3  o 181.038 24.053 7.4593  1.7985 4.9808  2.7204  9.3836  2.3970 138.664 42.395 200.359 29.101 -61.69475      51.42197 
1 1 1 -1  50 4  o 112.021 32.369 3.0398  1.6219 1.1955  2.5625  4.2726  2.0950 93.839  39.031 130.776 36.459 -36.93702      53.41085 
1 1 1 -1  50 5  o 237.860 19.061 12.523  1.9039 11.635  3.0267  13.104  2.4492 219.708 33.597 240.100 24.427 -20.39281      41.53851 
1 1 1 -1  50 6  o 146.779 27.695 5.0812  1.6584 4.6584  2.7764  5.3158  2.0678 133.155 43.124 146.734 33.951 -13.57851      54.88501 
1 1 1 -1  50 7  o 78.317  30.537 1.0735  1.4613 0.6799  2.6736  1.2411  1.7449 89.701  38.682 84.160  33.203 5.540863       50.97829 
1 1 1 -1  50 8  o 152.586 23.141 5.3505  1.4484 5.7274  2.4064  5.1363  1.8138 148.920 38.024 145.518 30.412 3.402710       48.68976 
1 1 1 -1  50 9  o 119.436 27.107 3.4176  1.3397 1.8548  2.0731  4.5381  1.7554 94.443  36.498 135.839 31.176 -41.39543      48.00049 
1 1 1 -1  50 10 o 111.570 29.836 3.0537  1.4371 5.1071  2.1633  1.4319  1.9226 140.925 36.090 87.727  34.776 53.19831       50.11816 
1 1 1 -1  50 11 o 42.534  20.583 -1.6753 1.1361 -3.0574 1.7101  -0.5832 1.5201 48.806  23.969 60.138  27.335 -11.33236      36.35496 
1 1 1 -1  50 12 o 212.449 21.526 10.247  1.9100 5.2083  2.9020  14.099  2.5370 136.791 44.066 247.073 24.572 -110.2822      50.45431 
1 1 1 -1  51 1  o 84.785  32.129 1.4225  1.5857 0.7238  2.5922  1.8402  2.0045 89.060  38.244 94.356  36.035 -5.296257      52.54649 
1 1 1 -1  51 2  o 84.609  35.582 0.8174  2.1650 -2.1794 3.2866  3.1147  2.8775 79.711  37.565 114.218 43.281 -34.50723      57.30884 
1 1 1 -1  51 3  o 181.418 23.685 7.5433  1.7763 6.5696  2.6816  8.3045  2.3710 158.554 39.953 185.568 31.283 -27.01410      50.74300 
1 1 1 -1  51 4  o 121.026 32.891 3.6449  1.7298 0.8474  2.9331  5.1370  2.1420 93.394  40.395 142.320 35.623 -48.92604      53.85874 
1 1 1 -1  51 5  o 198.987 22.865 9.0375  1.8918 8.0900  3.1169  9.5900  2.3803 173.357 42.729 201.021 28.783 -27.66441      51.51940 
1 1 1 -1  51 6  o 100.592 33.232 2.4562  1.6454 3.9892  2.8633  1.7004  2.0106 122.663 43.716 91.908  35.824 30.75504       56.52008 
1 1 1 -1  51 7  o 132.528 26.430 4.1813  1.4313 1.7619  2.9483  4.9273  1.6372 100.071 41.765 143.248 27.992 -43.17701      50.27789 
1 1 1 -1  51 8  o 67.466  27.599 0.5768  1.2531 1.0376  1.9256  0.2383  1.6504 82.943  34.104 70.368  30.369 12.57550       45.66534 
1 1 1 -1  51 9  o 129.516 27.568 4.0471  1.4656 3.5169  2.3502  4.3846  1.8749 115.996 39.730 131.414 33.568 -15.41804      52.01224 
1 1 1 -1  51 10 o 146.932 24.635 5.0640  1.4787 2.4645  2.2095  7.1725  1.9899 102.005 38.079 173.073 28.115 -71.06744      47.33339 
1 1 1 -1  52 1  o 63.571  28.521 -0.3559 1.5930 -2.0665 2.5395  0.7539  2.0455 68.728  32.578 81.488  34.444 -12.76019      47.41007 
1 1 1 -1  52 2  o 76.232  34.139 -0.2084 2.2716 3.9149  3.7205  -2.6590 2.8683 121.987 48.370 70.749  33.839 51.23811       59.03186 
1 1 1 -1  52 3  f 118.074 33.281 3.5304  1.7357 3.3821  2.7084  3.6338  2.2610 114.597 42.281 117.767 38.958 -3.170189      57.49265 
1 1 1 -1  52 4  o 163.236 26.331 6.3066  1.7583 8.0390  2.9106  5.3111  2.2064 173.245 40.413 142.908 36.367 30.33719       54.36660 
1 1 1 -1  52 5  o 92.400  33.928 1.9415  1.7408 0.8135  2.9191  2.5641  2.1687 91.547  39.941 102.969 37.859 -11.42239      55.03296 
1 1 1 -1  52 6  o 120.185 31.672 3.6291  1.6347 4.2586  2.8743  3.3282  1.9874 124.258 43.852 113.455 36.459 10.80254       57.02807 
1 1 1 -1  52 7  o 191.487 21.413 8.3674  1.7067 10.767  3.1598  7.3790  2.0279 203.227 38.115 175.183 28.300 28.04410       47.47223 
1 1 1 -1  52 8  o 166.307 23.224 6.4122  1.5910 6.9468  2.5491  6.0710  2.0363 162.434 37.771 156.071 31.887 6.363037       49.43116 
1 1 1 -1  52 9  o 90.884  32.325 1.9196  1.5648 5.1193  2.2220  -1.2280 2.2039 139.383 37.020 67.783  31.558 71.59946       48.64516 
1 1 1 -1  53 1  o 71.603  30.290 0.4933  1.5838 -2.9504 2.5123  2.7647  2.0403 63.612  30.740 104.773 36.949 -41.16153      48.06488 
1 1 1 -1  53 2  o 136.429 40.402 5.1142  2.4996 9.4106  3.5941  1.0893  3.4787 179.690 46.775 97.753  43.096 81.93693       63.60197 
1 1 1 -1  53 3  o 72.182  30.793 0.4373  1.6608 2.9041  2.6686  -1.1220 2.1217 108.058 41.504 66.919  31.092 41.13895       51.85812 
1 1 1 -1  53 4  o 95.584  33.837 2.1969  1.7126 3.5982  2.8166  1.3749  2.1573 115.952 43.050 88.371  36.189 27.58086       56.24022 
1 1 1 -1  53 5  o 122.866 34.782 3.9248  1.8915 1.9668  3.0771  5.1140  2.3981 101.175 42.478 137.150 39.281 -35.97511      57.85593 
1 1 1 -1  53 6  o 77.710  33.774 0.3930  2.0702 1.4442  2.8627  -0.7594 2.9973 95.275  40.531 81.460  37.532 13.81505       55.23981 
1 1 1 -1  54 1  o 114.833 37.046 3.4918  2.0504 4.5857  2.7874  2.2017  3.0268 127.005 43.269 102.365 42.486 24.63937       60.64016 
1 1 1 0   0  1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   0  2  o 1758.79 28.762 658.209 21.410 655.633 30.245  660.796 30.311 1751.02 40.837 1757.94 40.764 0.000000       0.000000 
1 1 1 0   0  3  o 234.917 20.767 11.981  2.0289 12.108  2.8606  11.852  2.8780 232.894 30.444 230.015 31.156 0.000000       0.000000 
1 1 1 0   0  4  o 125.165 24.094 3.6706  1.1405 3.8149  1.6050  3.5235  1.6209 120.549 36.092 113.599 37.827 0.000000       0.000000 
1 1 1 0   0  5  o 340.221 20.780 24.834  2.9684 26.058  4.1781  23.586  4.2182 346.541 28.933 328.725 30.930 0.000000       0.000000 
1 1 1 0   0  6  o 1018.69 23.435 220.672 10.098 221.958 14.202  219.357 14.360 1019.55 32.971 1013.39 33.544 0.000000       0.000000 
1 1 1 0   0  7  o 463.726 30.355 46.316  5.9027 0.0000  0.0000  46.316  5.9027 463.726 30.355 463.726 30.355 0.000000       0.000000 
1 1 1 0   0  8  o 2916.40 56.961 1832.48 70.291 1832.48 70.291  0.0000  0.0000 2916.40 56.961 2916.40 56.961 0.000000       0.000000 
1 1 1 0   0  9  f 388.631 21.105 32.341  3.4500 30.524  4.8331  34.228  4.9264 374.944 30.922 397.844 29.617 0.000000       0.000000 
1 1 1 0   0  10 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   0  11 o 69.011  31.306 1.4720  0.9881 0.7439  1.3845  2.2277  1.4106 56.308  33.409 85.272  37.402 0.000000       0.000000 
1 1 1 0   0  12 o 104.725 32.360 2.9155  1.2561 2.6647  1.7737  3.1678  1.7791 92.585  41.947 103.218 41.683 0.000000       0.000000 
1 1 1 0   0  13 o 81.444  32.864 1.9637  1.1062 3.0121  1.5235  0.7945  1.6088 102.746 37.835 59.668  35.716 0.000000       0.000000 
1 1 1 0   0  14 o 1909.44 30.572 777.665 24.707 786.594 34.730  768.515 35.157 1913.66 42.903 1890.84 43.958 0.000000       0.000000 
1 1 1 0   0  15 o 249.747 22.904 13.573  2.3756 14.792  3.3368  12.321  3.3828 257.954 31.849 232.025 37.323 0.000000       0.000000 
1 1 1 0   0  16 o 369.215 31.057 29.583  4.7770 29.583  4.7770  0.0000  0.0000 369.215 31.057 369.215 31.057 0.000000       0.000000 
1 1 1 0   0  17 o 717.039 22.599 109.382 6.8471 105.483 9.5362  113.531 9.8372 702.362 32.215 728.867 32.010 0.000000       0.000000 
1 1 1 0   0  18 o 126.435 33.823 4.0426  1.5649 5.2444  2.1263  2.6223  2.3116 142.515 40.654 91.656  46.958 0.000000       0.000000 
1 1 1 0   0  19 o 537.347 22.284 61.566  5.0512 63.587  7.0326  59.412  7.2597 544.481 30.723 525.605 32.910 0.000000       0.000000 
1 1 1 0   0  20 f 367.691 22.701 29.014  3.5039 30.991  4.8752  26.902  5.0395 378.091 30.923 350.530 34.730 0.000000       0.000000 
1 1 1 0   0  21 o 55.024  34.882 0.2217  1.7581 0.0000  0.0000  0.2217  1.7581 55.024  34.882 55.024  34.882 0.000000       0.000000 
1 1 1 0   0  22 o 1173.58 36.624 294.475 18.162 0.0000  0.0000  294.475 18.162 1173.58 36.624 1173.58 36.624 0.000000       0.000000 
1 1 1 0   0  23 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   0  24 o 410.576 34.136 36.712  5.8410 0.0000  0.0000  36.712  5.8410 410.576 34.136 410.576 34.136 0.000000       0.000000 
1 1 1 0   0  25 o 328.615 35.418 23.896  4.7841 0.0000  0.0000  23.896  4.7841 328.615 35.418 328.615 35.418 0.000000       0.000000 
1 1 1 0   0  26 o 214.738 41.459 10.932  3.3652 0.0000  0.0000  10.932  3.3652 214.738 41.459 214.738 41.459 0.000000       0.000000 
1 1 1 0   0  27 o 201.540 45.035 9.9504  3.3570 0.0000  0.0000  9.9504  3.3570 201.540 45.035 201.540 45.035 0.000000       0.000000 
1 1 1 0   0  28 o 169.734 48.859 7.6122  3.0459 0.0000  0.0000  7.6122  3.0459 169.734 48.859 169.734 48.859 0.000000       0.000000 
1 1 1 0   0  29 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   0  30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   0  31 o 151.844 55.172 6.8179  3.2620 0.0000  0.0000  6.8179  3.2620 151.844 55.172 151.844 55.172 0.000000       0.000000 
1 1 1 0   1  1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   1  2  o 1340.66 25.390 383.014 14.415 369.052 20.356  397.058 20.416 1311.49 36.651 1360.94 35.423 -49.44177      50.97158 
1 1 1 0   1  3  o 318.198 20.663 21.619  2.7693 21.405  3.9147  21.834  3.9181 315.213 29.675 318.442 29.386 -3.228790      41.76258 
1 1 1 0   1  4  o 140.445 17.246 4.2514  1.0042 4.5129  1.7580  4.1248  1.2234 142.723 30.037 137.598 21.715 5.124359       37.06444 
1 1 1 0   1  5  o 365.350 16.845 28.343  2.6064 24.054  4.5558  30.429  3.1778 333.761 32.650 377.828 19.931 -44.06729      38.25276 
1 1 1 0   1  6  o 517.700 17.205 56.915  3.7721 58.490  6.6003  56.151  4.5967 522.452 29.956 513.837 21.124 8.614868       36.65523 
1 1 1 0   1  7  o 702.319 21.910 104.930 6.5165 101.671 9.2848  108.094 9.1483 689.560 31.795 711.312 30.370 -21.75110      43.96832 
1 1 1 0   1  8  o 461.578 20.955 45.314  4.0961 44.173  5.7641  46.477  5.8219 453.684 30.173 465.511 29.687 -11.82703      42.32882 
1 1 1 0   1  9  f 477.193 14.974 48.338  3.0261 48.346  4.2751  48.330  4.2840 476.637 21.179 476.552 21.227 0.8493042E-01  29.98584 
1 1 1 0   1  10 o 948.432 33.188 193.167 13.330 0.0000  0.0000  193.167 13.330 ?       ?      948.432 33.188 0.000000       33.18776 
1 1 1 0   1  11 o 603.015 15.364 77.274  3.9236 78.760  5.5497  75.790  5.5478 607.724 21.564 596.075 21.978 11.64911       30.78965 
1 1 1 0   1  12 o 129.211 17.388 3.6167  0.9273 4.3862  1.3162  2.8583  1.3066 141.568 22.722 113.218 27.520 28.34943       35.68843 
1 1 1 0   1  13 o 391.414 15.142 32.566  2.5100 29.103  3.5458  36.043  3.5535 368.431 22.838 411.139 20.409 -42.70847      30.62834 
1 1 1 0   1  14 o 328.687 17.780 23.043  2.4657 23.364  4.3300  22.889  2.9996 328.457 31.516 326.987 21.786 1.469818       38.31304 
1 1 1 0   1  15 o 670.303 22.543 95.651  6.3991 97.833  9.1210  93.536  8.9799 676.101 31.856 661.037 32.078 15.06378       45.20815 
1 1 1 0   1  16 o 629.282 30.826 84.496  8.2151 0.0000  0.0000  84.496  8.2151 ?       ?      629.282 30.826 0.000000       30.82636 
1 1 1 0   1  17 o 855.243 18.985 155.262 6.8760 155.871 12.056  154.968 8.3711 854.732 33.305 853.922 23.148 0.8099976      40.55968 
1 1 1 0   1  18 o 777.664 18.766 128.361 6.1804 113.352 10.822  135.626 7.5290 728.621 35.072 798.981 22.251 -70.35950      41.53533 
1 1 1 0   1  19 o 1492.25 22.416 473.266 14.166 453.971 24.767  482.647 17.269 1455.56 40.179 1505.68 27.083 -50.12061      48.45457 
1 1 1 0   1  20 o 365.242 18.420 28.400  2.8399 34.070  5.0763  25.817  3.4262 398.453 30.311 347.594 23.412 50.85916       38.29963 
1 1 1 0   1  21 o 326.096 18.855 22.668  2.5927 17.282  4.4895  25.363  3.1758 281.165 38.733 344.622 21.874 -63.45721      44.48256 
1 1 1 0   1  22 o 208.459 26.655 9.4157  2.2992 5.6006  3.1986  13.495  3.3073 158.960 45.310 249.152 32.091 -90.19185      55.52289 
1 1 1 0   1  23 o 414.980 32.056 37.095  5.5898 0.0000  0.0000  37.095  5.5898 ?       ?      414.980 32.056 0.000000       32.05555 
1 1 1 0   1  24 o 557.204 18.653 66.064  4.4015 67.602  7.7417  65.329  5.3504 559.897 32.793 553.426 22.829 6.470825       39.95666 
1 1 1 0   1  25 o 1193.33 26.254 305.278 13.268 320.010 18.791  290.632 18.736 1214.83 36.525 1156.41 38.258 58.42407       52.89375 
1 1 1 0   1  26 f 777.240 24.183 129.541 7.9600 133.732 11.247  125.334 11.268 785.014 33.830 759.296 35.041 25.71759       48.70678 
1 1 1 0   1  27 o 213.205 26.478 9.9367  2.3392 10.183  3.2627  9.6762  3.3555 212.701 37.596 206.539 39.807 6.161774       54.75454 
1 1 1 0   1  28 o 354.419 24.190 27.221  3.6091 23.319  5.0007  31.462  5.2140 322.827 37.262 377.597 32.936 -54.76984      49.73161 
1 1 1 0   1  29 o 320.042 35.945 22.988  4.7875 22.988  4.7875  0.0000  0.0000 320.042 35.945 ?       ?      0.000000       35.94489 
1 1 1 0   1  30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   1  31 o 108.398 33.669 2.6481  1.7081 3.0556  2.2200  2.0568  2.6741 116.984 38.599 108.090 41.540 8.894493       56.70451 
1 1 1 0   2  0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   2  1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   2  2  o 387.842 18.860 31.963  3.0978 32.520  4.3584  31.395  4.4037 389.646 26.571 382.684 27.353 6.962463       38.13442 
1 1 1 0   2  3  o 631.146 20.829 84.710  5.5672 86.806  7.8579  82.597  7.8886 637.613 29.101 621.806 29.957 15.80676       41.76496 
1 1 1 0   2  4  o 131.655 21.421 3.7808  1.1533 3.3914  1.6236  4.1774  1.6384 123.581 31.059 137.333 29.077 -13.75229      42.54548 
1 1 1 0   2  5  o 654.754 21.638 91.193  5.9997 87.674  8.4776  94.725  8.4922 640.403 31.259 665.885 30.115 -25.48199      43.40533 
1 1 1 0   2  6  o 133.419 22.490 3.8906  1.2256 3.2916  1.7173  4.5122  1.7495 121.949 32.618 142.733 29.901 -20.78382      44.24899 
1 1 1 0   2  7  o 584.057 21.397 72.552  5.2924 72.047  7.5491  73.040  7.4217 579.841 30.854 583.997 30.111 -4.155579      43.11185 
1 1 1 0   2  8  o 101.804 30.488 2.2379  1.4175 0.0000  0.0000  2.2379  1.4175 ?       ?      101.804 30.488 0.000000       30.48791 
1 1 1 0   2  9  o 526.821 17.431 58.969  3.8888 61.801  6.8127  57.600  4.7363 536.698 30.096 520.208 21.499 16.49042       36.98575 
1 1 1 0   2  10 o 440.279 30.070 41.713  5.5731 0.0000  0.0000  41.713  5.5731 ?       ?      440.279 30.070 0.000000       30.06969 
1 1 1 0   2  11 f 197.611 18.130 8.3794  1.5003 9.1306  2.6223  8.0139  1.8293 203.852 31.382 192.441 22.895 11.41083       38.84635 
1 1 1 0   2  12 o 196.159 18.520 8.2676  1.5202 8.1349  2.6936  8.3297  1.8416 191.271 34.525 196.214 22.574 -4.942886      41.24937 
1 1 1 0   2  13 o 964.816 19.328 198.340 7.8973 207.721 13.813  193.785 9.6257 981.419 33.233 952.117 23.873 29.30231       40.91895 
1 1 1 0   2  14 o 459.218 17.787 44.849  3.4591 47.245  6.0279  43.673  4.2238 468.370 30.557 452.628 22.035 15.74258       37.67363 
1 1 1 0   2  15 o 100.127 33.597 2.0173  1.6803 2.0173  1.6803  0.0000  0.0000 100.127 33.597 ?       ?      0.000000       33.59681 
1 1 1 0   2  16 o 470.349 22.017 47.027  4.3855 0.0000  0.0000  47.027  4.3855 ?       ?      470.349 22.017 0.000000       22.01666 
1 1 1 0   2  17 o 619.678 18.324 81.497  4.8088 77.237  8.4017  83.573  5.8643 600.804 33.149 627.194 22.079 -26.38940      39.82897 
1 1 1 0   2  18 o 664.429 18.465 93.695  5.1957 94.564  9.0922  93.274  6.3314 665.924 32.240 662.556 22.565 3.368530       39.35235 
1 1 1 0   2  19 o 1192.90 20.702 302.275 10.458 288.546 18.286  308.950 12.750 1161.40 37.178 1205.13 24.982 -43.72412      44.79141 
1 1 1 0   2  20 o 101.059 27.925 2.2425  1.2348 2.3058  2.0760  2.2079  1.5361 108.615 37.334 102.155 31.962 6.459427       49.14684 
1 1 1 0   2  21 o 951.255 19.623 192.310 7.9050 198.016 13.894  189.579 9.6122 961.710 34.116 943.609 24.054 18.10120       41.74298 
1 1 1 0   2  22 o 623.198 23.241 82.692  6.1336 78.873  8.6637  86.530  8.6849 605.847 33.903 635.050 32.401 -29.20282      46.89644 
1 1 1 0   2  23 o 365.701 31.939 28.853  4.8968 0.0000  0.0000  28.853  4.8968 ?       ?      365.701 31.939 0.000000       31.93878 
1 1 1 0   2  24 o 504.802 18.636 54.223  3.9839 60.121  7.0607  51.469  4.8254 528.193 31.712 491.153 23.199 37.04068       39.29232 
1 1 1 0   2  25 f 705.531 19.009 106.091 5.6797 108.385 10.020  105.006 6.8944 708.322 33.402 700.787 23.231 7.534912       40.68652 
1 1 1 0   2  26 o 426.174 18.802 38.755  3.3934 38.085  5.9576  39.076  4.1285 417.599 33.982 426.547 22.939 -8.948547      41.00009 
1 1 1 0   2  27 o 131.016 32.288 3.8746  1.7799 2.6084  2.6032  4.9860  2.4391 116.271 41.658 147.971 38.540 -31.70094      56.75127 
1 1 1 0   2  28 o 316.395 24.187 21.719  3.2163 22.634  4.5479  20.804  4.5493 319.321 34.161 305.288 35.871 14.03262       49.53477 
1 1 1 0   2  29 o 378.999 34.548 32.018  5.4842 32.018  5.4842  0.0000  0.0000 378.999 34.548 ?       ?      0.000000       34.54836 
1 1 1 0   2  30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   2  31 f 168.882 31.671 6.5303  2.1819 5.7343  2.9011  7.5669  3.3108 154.686 42.825 176.966 44.284 -22.28001      61.60388 
1 1 1 0   3  1  o 123.027 10.008 3.2293  0.5169 3.2869  0.7286  3.1709  0.7334 123.664 14.168 121.381 14.559 2.283134       20.31481 
1 1 1 0   3  2  o 736.700 18.706 115.319 5.8361 113.218 8.2072  117.468 8.3005 728.671 26.596 742.259 26.406 -13.58734      37.47858 
1 1 1 0   3  3  o 356.788 18.943 27.126  2.8519 27.650  4.0019  26.585  4.0653 359.153 26.498 351.973 27.491 7.179382       38.18299 
1 1 1 0   3  4  o 295.484 19.842 18.642  2.4685 19.630  3.4824  17.645  3.4997 302.127 27.519 286.000 29.308 16.12732       40.20304 
1 1 1 0   3  5  o 638.091 21.136 86.593  5.7115 83.941  8.0393  89.296  8.1159 626.799 30.286 646.609 29.638 -19.80969      42.37551 
1 1 1 0   3  6  o 352.195 20.703 26.465  3.0742 26.580  4.3286  26.349  4.3669 351.628 29.336 350.015 29.742 1.613190       41.77602 
1 1 1 0   3  7  o 1834.58 42.308 725.058 32.870 725.058 32.870  0.0000  0.0000 1834.58 42.308 ?       ?      0.000000       42.30832 
1 1 1 0   3  8  o 655.354 31.047 91.845  8.6168 0.0000  0.0000  91.845  8.6168 ?       ?      655.354 31.047 0.000000       31.04731 
1 1 1 0   3  9  o 282.114 21.408 17.037  2.5386 19.992  3.5901  14.081  3.5902 304.636 28.146 253.980 34.253 50.65582       44.33323 
1 1 1 0   3  10 o 229.093 21.708 11.281  2.0810 0.0000  0.0000  11.281  2.0810 ?       ?      229.093 21.708 0.000000       21.70803 
1 1 1 0   3  11 o 463.636 17.473 45.735  3.4307 44.947  6.0055  46.117  4.1798 456.207 31.273 465.039 21.224 -8.831696      37.79508 
1 1 1 0   3  12 o 197.293 18.393 8.3614  1.5190 6.5190  2.6144  9.3004  1.8664 170.242 37.294 207.650 21.537 -37.40816      43.06616 
1 1 1 0   3  13 o 1006.05 19.456 215.666 8.2894 230.195 14.519  208.640 10.097 1033.23 33.182 987.866 24.134 45.36914       41.03061 
1 1 1 0   3  14 o 553.259 17.996 65.102  4.2164 64.790  7.3563  65.255  5.1454 548.478 31.807 553.310 21.959 -4.831116      38.65081 
1 1 1 0   3  15 o 177.128 35.042 6.9566  2.5354 6.9566  2.5354  0.0000  0.0000 177.128 35.042 ?       ?      0.000000       35.04150 
1 1 1 0   3  16 o 130.247 29.372 3.7594  1.5815 0.0000  0.0000  3.7594  1.5815 ?       ?      130.247 29.372 0.000000       29.37180 
1 1 1 0   3  17 o 755.097 18.674 121.019 5.9714 123.948 10.410  119.583 7.2902 762.385 32.242 750.147 22.948 12.23798       39.57454 
1 1 1 0   3  18 o 861.714 19.145 157.625 6.9866 164.681 12.208  154.189 8.5198 878.665 32.807 851.713 23.621 26.95129       40.42574 
1 1 1 0   3  19 o 672.435 18.639 95.994  5.3077 95.969  9.2619  96.006  6.4768 670.558 32.615 672.049 22.757 -1.491638      39.76974 
1 1 1 0   3  20 o 328.224 18.848 22.956  2.6088 24.235  4.5148  22.315  3.1965 335.321 32.189 323.020 23.529 12.30161       39.87152 
1 1 1 0   3  21 o 983.001 19.782 205.376 8.2351 204.654 14.417  205.726 10.033 977.438 34.830 982.947 24.102 -5.509399      42.35562 
1 1 1 0   3  22 o 1747.77 29.912 652.765 22.140 633.073 31.325  672.422 31.297 1712.76 43.187 1766.20 41.842 -53.44470      60.13205 
1 1 1 0   3  23 o 395.569 31.775 33.719  5.2780 0.0000  0.0000  33.719  5.2780 ?       ?      395.569 31.775 0.000000       31.77492 
1 1 1 0   3  24 o 176.015 22.504 6.7128  1.6391 6.3530  2.8074  6.8990  2.0189 168.022 40.025 177.471 27.773 -9.449249      48.71710 
1 1 1 0   3  25 o 189.316 22.333 7.7614  1.7561 9.0341  3.0840  7.1507  2.1362 200.932 37.626 180.232 28.969 20.70050       47.48553 
1 1 1 0   3  26 o 813.695 19.460 141.363 6.7056 138.194 11.767  142.886 8.1602 797.298 34.851 816.484 23.600 -19.18567      42.08952 
1 1 1 0   3  27 o 203.091 21.375 8.9295  1.8108 6.6268  3.1294  10.089  2.2202 169.692 43.380 215.234 24.813 -45.54196      49.97484 
1 1 1 0   3  28 o 204.740 26.861 9.2296  2.2728 10.199  3.2034  8.2475  3.2251 212.046 37.020 188.778 41.475 23.26839       55.59344 
1 1 1 0   3  29 o 110.308 38.554 2.4951  2.2183 2.4951  2.2183  0.0000  0.0000 110.308 38.554 ?       ?      0.000000       38.55350 
1 1 1 0   3  30 o 451.280 35.182 45.765  6.6707 0.0000  0.0000  45.765  6.6707 ?       ?      451.280 35.182 0.000000       35.18238 
1 1 1 0   3  31 o 125.547 34.367 3.6607  1.8806 2.6883  2.4110  5.1713  3.0052 113.183 40.139 147.210 44.461 -34.02650      59.89927 
1 1 1 0   4  0  o 1318.32 19.604 368.712 10.945 369.880 15.500  367.551 15.457 1319.15 27.746 1314.98 27.757 4.162598       39.24638 
1 1 1 0   4  1  o 438.476 9.8514 40.750  1.8293 40.071  2.5730  41.443  2.6013 434.596 13.980 441.981 13.898 -7.385223      19.71260 
1 1 1 0   4  2  o 774.987 18.306 127.599 6.0082 131.006 8.4535  124.121 8.5409 784.051 25.459 762.978 26.433 21.07324       36.69986 
1 1 1 0   4  3  o 152.512 17.812 5.0074  1.1288 4.2218  1.5807  5.8248  1.6124 138.223 27.964 163.690 23.970 -25.46637      36.83165 
1 1 1 0   4  4  o 220.976 18.962 10.452  1.7573 10.121  2.4555  10.799  2.5161 216.136 27.445 223.414 27.152 -7.278091      38.60647 
1 1 1 0   4  5  o 809.940 21.509 139.538 7.3777 141.280 10.400  137.775 10.468 813.188 30.198 802.896 30.787 10.29163       43.12493 
1 1 1 0   4  6  o 527.625 20.658 59.194  4.6160 60.254  6.5046  58.118  6.5517 530.473 29.065 520.804 29.830 9.669739       41.64829 
1 1 1 0   4  7  o 437.053 29.350 40.964  5.4008 40.964  5.4008  0.0000  0.0000 437.053 29.350 ?       ?      0.000000       29.35018 
1 1 1 0   4  8  o 442.851 30.068 42.107  5.6056 0.0000  0.0000  42.107  5.6056 ?       ?      442.851 30.068 0.000000       30.06764 
1 1 1 0   4  9  o 454.374 21.155 43.944  4.0707 41.486  5.7198  46.466  5.7947 439.137 30.955 465.177 29.569 -26.04001      42.80770 
1 1 1 0   4  10 o 446.771 30.631 42.993  5.7605 0.0000  0.0000  42.993  5.7605 ?       ?      446.771 30.631 0.000000       30.63079 
1 1 1 0   4  11 o 291.062 21.671 18.172  2.6521 18.381  3.7592  17.964  3.7420 290.817 31.001 287.408 31.248 3.409149       44.01677 
1 1 1 0   4  12 o 579.019 17.815 71.386  4.3684 74.379  7.6107  69.916  5.3346 587.062 30.719 572.189 22.015 14.87274       37.79311 
1 1 1 0   4  13 o 576.151 17.818 70.657  4.3476 69.302  7.5982  71.317  5.3011 566.538 31.798 578.116 21.653 -11.57788      38.46984 
1 1 1 0   4  14 o 673.109 18.170 96.363  5.1795 96.593  9.0243  96.251  6.3251 670.861 31.764 671.977 22.226 -1.115662      38.76805 
1 1 1 0   4  15 o 718.543 32.242 110.481 9.8111 110.481 9.8111  0.0000  0.0000 718.543 32.242 ?       ?      0.000000       32.24181 
1 1 1 0   4  16 o 513.332 22.050 56.010  4.7935 0.0000  0.0000  56.010  4.7935 ?       ?      513.332 22.050 0.000000       22.05033 
1 1 1 0   4  17 o 450.294 18.032 43.030  3.4387 45.078  6.0109  42.033  4.1925 458.849 31.117 444.229 22.357 14.61990       38.31622 
1 1 1 0   4  18 o 836.752 19.038 148.623 6.7462 133.859 11.723  155.934 8.2489 791.774 34.961 856.631 22.738 -64.85626      41.70541 
1 1 1 0   4  19 o 525.849 18.396 58.701  4.0967 55.759  7.0951  60.172  5.0175 510.018 33.027 532.082 22.267 -22.06406      39.83231 
1 1 1 0   4  20 f 402.574 22.245 34.568  3.7778 33.275  5.3663  35.837  5.3193 393.317 32.508 408.559 30.974 -15.24243      44.90195 
1 1 1 0   4  21 o 334.402 19.200 23.840  2.7077 27.594  4.6930  21.967  3.3151 357.978 31.270 320.223 24.635 37.75491       39.80822 
1 1 1 0   4  22 o 122.786 38.261 3.2217  2.2038 3.2217  2.2038  0.0000  0.0000 122.786 38.261 ?       ?      0.000000       38.26087 
1 1 1 0   4  23 o 796.203 23.541 135.086 7.9375 0.0000  0.0000  135.086 7.9375 ?       ?      796.203 23.541 0.000000       23.54051 
1 1 1 0   4  24 o 806.795 19.313 138.576 6.5987 150.828 11.604  132.721 8.0219 837.494 32.718 788.403 24.026 49.09039       40.59197 
1 1 1 0   4  25 o 726.768 19.128 112.599 5.8871 106.144 10.261  115.767 7.1877 700.297 34.599 735.796 23.067 -35.49921      41.58337 
1 1 1 0   4  26 o 229.531 21.186 11.359  2.0361 11.572  3.5537  11.256  2.4843 227.302 38.277 227.377 26.284 -0.7527161E-01 46.43297 
1 1 1 0   4  27 o 155.111 23.187 5.2739  1.4764 4.5936  2.5635  5.6116  1.8060 142.351 40.559 159.020 27.831 -16.66858      49.18960 
1 1 1 0   4  28 o 450.190 23.843 43.843  4.5294 40.932  6.3027  46.952  6.5136 429.763 34.933 461.209 33.579 -31.44611      48.45466 
1 1 1 0   4  29 f 424.000 34.728 40.056  6.1811 40.056  6.1811  0.0000  0.0000 424.000 34.728 ?       ?      0.000000       34.72819 
1 1 1 0   4  30 o 434.415 23.356 41.067  4.2810 0.0000  0.0000  41.067  4.2810 ?       ?      434.415 23.356 0.000000       23.35584 
1 1 1 0   4  31 o 179.295 23.348 7.1080  1.7307 8.3553  3.0043  6.4885  2.1174 188.396 38.942 168.622 30.786 19.77333       49.64126 
1 1 1 0   5  1  o 707.028 10.632 105.968 3.1835 106.796 4.4884  105.131 4.5158 709.395 14.940 703.819 15.151 5.576416       21.27822 
1 1 1 0   5  2  o 276.591 10.545 16.217  1.2352 16.474  1.7418  15.958  1.7519 278.226 14.836 273.790 15.169 4.436127       21.21818 
1 1 1 0   5  3  o 825.245 19.009 144.723 6.6435 140.379 9.3659  149.122 9.4250 811.234 27.262 836.257 26.613 -25.02283      38.09849 
1 1 1 0   5  4  o 715.289 19.379 108.740 5.8702 108.605 8.2427  108.879 8.3620 713.547 27.277 714.377 27.640 -0.8302612     38.83347 
1 1 1 0   5  5  o 71.661  20.070 1.1219  0.6333 0.7706  0.8762  1.5062  0.9164 66.458  24.120 83.376  24.400 -16.91822      34.30973 
1 1 1 0   5  6  o 337.584 28.034 24.481  3.9716 24.481  3.9716  0.0000  0.0000 337.584 28.034 ?       ?      0.000000       28.03392 
1 1 1 0   5  7  o 115.703 22.438 2.9453  1.0598 2.6711  1.4811  3.2329  1.5171 110.199 30.632 120.674 29.851 -10.47472      42.77088 
1 1 1 0   5  8  o 399.366 29.733 34.274  4.9926 0.0000  0.0000  34.274  4.9926 ?       ?      399.366 29.733 0.000000       29.73296 
1 1 1 0   5  9  o 417.808 29.705 37.535  5.2218 37.535  5.2218  0.0000  0.0000 417.808 29.705 ?       ?      0.000000       29.70544 
1 1 1 0   5  10 o 230.375 21.644 11.409  2.0869 9.7420  2.9297  13.126  2.9734 210.254 34.068 245.873 29.122 -35.61873      44.81900 
1 1 1 0   5  11 o 381.107 21.390 31.084  3.4383 32.661  4.8299  29.463  4.8957 388.853 29.551 368.668 31.664 20.18527       43.31162 
1 1 1 0   5  12 o 125.128 25.735 3.4744  1.3182 4.1193  1.8706  2.8383  1.8579 135.530 32.918 114.345 35.048 21.18430       48.08319 
1 1 1 0   5  13 o 619.034 22.041 81.785  5.7781 81.640  8.1443  81.932  8.1989 615.252 31.362 616.297 31.519 -1.045227      44.46388 
1 1 1 0   5  14 o 1087.99 24.366 252.611 11.227 263.629 15.940  241.765 15.815 1107.41 33.989 1059.90 35.234 47.50671       48.95617 
1 1 1 0   5  15 o 326.071 22.066 22.724  3.0291 21.937  4.2849  23.510  4.2828 318.664 32.193 330.233 30.986 -11.56918      44.68237 
1 1 1 0   5  16 o 643.000 22.238 87.881  6.0555 0.0000  0.0000  87.881  6.0555 ?       ?      643.000 22.238 0.000000       22.23788 
1 1 1 0   5  17 o 376.164 18.176 30.029  2.8955 24.288  4.9864  32.950  3.5566 335.385 35.654 393.283 21.435 -57.89804      41.60181 
1 1 1 0   5  18 o 327.869 18.504 22.888  2.5588 19.476  4.3483  24.696  3.1647 300.049 34.871 340.230 22.084 -40.18027      41.27542 
1 1 1 0   5  19 o 482.198 18.283 49.360  3.7334 55.946  6.4780  46.085  4.5684 511.384 30.044 465.563 23.171 45.82095       37.94147 
1 1 1 0   5  20 f 508.143 18.463 54.838  3.9731 46.617  6.8264  59.050  4.8858 465.464 34.884 526.974 21.893 -61.51025      41.18528 
1 1 1 0   5  21 o 353.594 18.922 26.642  2.8232 30.322  4.8485  24.754  3.4725 375.463 30.763 340.088 24.270 35.37524       39.18413 
1 1 1 0   5  22 o 1585.99 40.633 541.773 27.291 541.773 27.291  0.0000  0.0000 1585.99 40.633 ?       ?      0.000000       40.63295 
1 1 1 0   5  23 o 603.738 22.988 77.656  5.8775 0.0000  0.0000  77.656  5.8775 ?       ?      603.738 22.988 0.000000       22.98783 
1 1 1 0   5  24 o 1040.36 20.275 230.583 8.9328 229.843 15.621  230.943 10.889 1032.11 35.739 1039.64 24.732 -7.522461      43.46194 
1 1 1 0   5  25 o 256.265 21.060 14.114  2.2654 10.772  3.8433  15.893  2.8043 218.272 43.108 271.335 24.674 -53.06244      49.66987 
1 1 1 0   5  26 o 963.228 20.019 198.227 8.1660 192.400 14.245  201.079 9.9661 939.803 35.792 968.087 24.309 -28.28333      43.26624 
1 1 1 0   5  27 o 245.737 20.528 13.015  2.1167 13.704  3.6228  12.658  2.6082 248.072 35.497 241.054 25.958 7.017792       43.97569 
1 1 1 0   5  28 o 438.640 35.008 42.665  6.4489 0.0000  0.0000  42.665  6.4489 ?       ?      438.640 35.008 0.000000       35.00791 
1 1 1 0   5  29 o 104.331 37.128 2.1602  2.0645 2.1602  2.0645  0.0000  0.0000 104.331 37.128 ?       ?      0.000000       37.12763 
1 1 1 0   5  30 f 290.808 24.623 18.532  3.0040 0.0000  0.0000  18.532  3.0040 ?       ?      290.808 24.623 0.000000       24.62317 
1 1 1 0   5  31 o 185.138 22.429 7.5498  1.7227 9.6287  2.8724  6.3821  2.1528 204.675 34.357 166.871 31.621 37.80362       46.69305 
1 1 1 0   6  0  o 796.429 15.238 134.466 5.1394 130.547 7.2745  138.371 7.2619 784.251 21.903 807.471 21.236 -23.21979      30.50783 
1 1 1 0   6  1  o 556.773 9.8794 65.704  2.3295 67.016  3.2968  64.396  3.2919 562.038 13.851 550.925 14.110 11.11316       19.77191 
1 1 1 0   6  2  o 246.679 10.089 12.898  1.0539 12.828  1.4897  12.968  1.4913 245.458 14.394 246.810 14.330 -1.351318      20.31078 
1 1 1 0   6  3  o 294.444 16.491 18.465  2.0481 18.421  2.8689  18.510  2.9247 293.247 23.294 293.906 23.699 -0.6588745     33.23035 
1 1 1 0   6  4  o 28.889  12.239 0.0051  0.2592 -0.1166 0.4175  0.0815  0.3307 34.083  14.981 34.553  14.161 -0.4695015     20.61489 
1 1 1 0   6  5  o 630.523 19.171 84.487  5.1190 85.939  7.1725  82.980  7.3080 634.842 26.679 623.651 27.670 11.19037       38.43686 
1 1 1 0   6  6  o 583.871 27.559 72.724  6.8143 72.724  6.8143  0.0000  0.0000 583.871 27.559 ?       ?      0.000000       27.55875 
1 1 1 0   6  7  o 307.662 28.781 20.382  3.7064 0.0000  0.0000  20.382  3.7064 ?       ?      307.662 28.781 0.000000       28.78117 
1 1 1 0   6  8  o 518.133 20.572 57.110  4.5139 57.020  6.3543  57.201  6.4134 515.712 29.215 516.481 29.444 -0.7692871     41.47829 
1 1 1 0   6  9  o 209.165 30.266 9.5555  2.6030 9.5555  2.6030  0.0000  0.0000 209.165 30.266 ?       ?      0.000000       30.26635 
1 1 1 0   6  10 f 353.870 21.036 26.777  3.1383 25.569  4.3794  28.052  4.4994 343.932 30.380 360.514 29.736 -16.58194      42.51107 
1 1 1 0   6  11 o 226.924 21.750 11.091  2.0645 10.566  2.8918  11.636  2.9484 219.266 32.092 230.564 30.980 -11.29807      44.60588 
1 1 1 0   6  12 o 320.643 21.386 22.044  2.8874 23.158  4.0461  20.887  4.1217 326.886 29.547 309.716 31.880 17.16980       43.46662 
1 1 1 0   6  13 o 578.220 21.819 71.338  5.3428 70.863  7.5087  71.826  7.6040 573.257 31.045 577.089 31.230 -3.832214      44.03562 
1 1 1 0   6  14 o 148.636 35.016 4.9387  2.1678 4.9387  2.1678  0.0000  0.0000 148.636 35.016 ?       ?      0.000000       35.01554 
1 1 1 0   6  15 o 995.137 19.444 210.453 8.1943 210.246 14.173  210.558 10.043 991.034 33.769 994.476 23.847 -3.442627      41.34027 
1 1 1 0   6  16 o 497.015 22.031 52.499  4.6370 0.0000  0.0000  52.499  4.6370 ?       ?      497.015 22.031 0.000000       22.03059 
1 1 1 0   6  17 o 599.934 18.163 76.383  4.6147 67.910  7.9443  80.698  5.6692 563.201 33.458 616.350 21.719 -53.14905      39.88966 
1 1 1 0   6  18 o 89.282  26.654 1.7144  1.0846 2.7524  1.8175  1.1403  1.3517 113.409 34.649 81.723  29.913 31.68557       45.77520 
1 1 1 0   6  19 o 1448.22 22.066 445.788 13.533 461.352 23.548  438.112 16.537 1467.89 37.881 1434.28 27.226 33.61072       46.64970 
1 1 1 0   6  20 o 837.070 19.126 148.852 6.7801 130.226 11.695  158.281 8.3210 779.867 35.412 862.586 22.779 -82.71991      42.10565 
1 1 1 0   6  21 o 372.262 18.844 29.521  2.9610 26.994  5.0488  30.847  3.6558 353.424 34.158 380.024 22.822 -26.59964      41.08039 
1 1 1 0   6  22 o 391.936 33.056 33.125  5.4354 33.125  5.4354  0.0000  0.0000 391.936 33.056 ?       ?      0.000000       33.05574 
1 1 1 0   6  23 o 247.623 25.373 13.216  2.6232 0.0000  0.0000  13.216  2.6232 ?       ?      247.623 25.373 0.000000       25.37338 
1 1 1 0   6  24 o 436.537 18.860 40.570  3.4866 47.794  6.0198  36.923  4.2770 470.866 30.350 414.993 24.444 55.87250       38.96991 
1 1 1 0   6  25 o 234.301 20.919 11.813  2.0538 8.3216  3.5039  13.640  2.5349 191.078 44.183 251.286 24.117 -60.20834      50.33664 
1 1 1 0   6  26 o 523.812 18.799 58.566  4.1701 60.213  7.2280  57.745  5.1054 525.989 32.610 519.035 23.227 6.953857       40.03592 
1 1 1 0   6  27 o 259.017 20.233 14.446  2.2018 18.079  3.7984  12.608  2.7020 286.717 31.819 240.249 27.026 46.46780       41.74779 
1 1 1 0   6  28 o 377.712 36.070 31.809  5.6996 0.0000  0.0000  31.809  5.6996 ?       ?      377.712 36.070 0.000000       36.07050 
1 1 1 0   6  29 o 259.795 36.104 15.258  3.8649 15.258  3.8649  0.0000  0.0000 259.795 36.104 ?       ?      0.000000       36.10447 
1 1 1 0   6  30 o 663.018 23.676 95.558  6.6477 0.0000  0.0000  95.558  6.6477 ?       ?      663.018 23.676 0.000000       23.67563 
1 1 1 0   6  31 o 157.937 25.384 5.5845  1.6403 3.9376  2.6299  6.6329  2.0984 130.505 41.941 170.733 30.123 -40.22722      51.63751 
1 1 1 0   7  1  o 265.162 8.9963 14.900  1.0102 14.412  1.4246  15.394  1.4328 260.672 12.905 269.415 12.558 -8.742706      18.00659 
1 1 1 0   7  2  o 300.483 9.8293 19.137  1.2508 19.817  1.7618  18.446  1.7761 305.636 13.612 294.855 14.224 10.78094       19.68714 
1 1 1 0   7  3  o 293.166 12.626 18.228  1.5676 17.311  2.7602  18.664  1.9045 284.243 23.131 296.157 15.236 -11.91345      27.69821 
1 1 1 0   7  4  f 184.938 17.198 7.3257  1.3315 7.6158  1.8794  7.0333  1.8866 187.573 24.226 179.923 25.472 7.649719       35.15225 
1 1 1 0   7  5  o 1051.44 29.619 236.127 13.189 236.127 13.189  0.0000  0.0000 1051.44 29.619 ?       ?      0.000000       29.61940 
1 1 1 0   7  6  o 286.315 18.461 17.488  2.2265 17.403  3.0941  17.580  3.2064 284.580 25.959 285.899 26.795 -1.318542      37.30752 
1 1 1 0   7  7  o 256.331 28.362 14.196  3.0273 0.0000  0.0000  14.196  3.0273 ?       ?      256.331 28.362 0.000000       28.36240 
1 1 1 0   7  8  f 620.373 20.550 81.883  5.3989 83.587  7.5415  80.091  7.7326 625.427 28.473 611.934 29.838 13.49323       41.24398 
1 1 1 0   7  9  o 360.400 28.856 27.969  4.3672 27.969  4.3672  0.0000  0.0000 360.400 28.856 ?       ?      0.000000       28.85592 
1 1 1 0   7  10 o 1066.88 23.582 243.025 10.655 243.588 14.980  242.449 15.158 1063.78 33.251 1061.04 33.735 2.743530       47.36753 
1 1 1 0   7  11 o 33.839  15.576 -0.3978 0.5145 0.2201  0.7227  -1.0328 0.7326 51.703  21.033 35.596  17.046 16.10703       27.07337 
1 1 1 0   7  12 o 574.870 21.546 70.554  5.2453 66.198  7.3425  75.095  7.4960 553.434 31.458 590.057 30.098 -36.62231      43.53712 
1 1 1 0   7  13 o 152.417 24.922 5.0923  1.5530 4.8174  2.1018  5.4228  2.3049 146.612 34.438 155.475 35.752 -8.862640      49.64050 
1 1 1 0   7  14 o 252.389 32.470 13.878  3.3901 13.878  3.3901  0.0000  0.0000 252.389 32.470 ?       ?      0.000000       32.47044 
1 1 1 0   7  15 o 145.174 39.003 4.6798  2.4491 0.0000  0.0000  4.6798  2.4491 ?       ?      145.174 39.003 0.000000       39.00344 
1 1 1 0   7  16 o 460.796 22.124 45.125  4.3174 45.468  6.0866  44.778  6.1249 460.651 31.387 457.047 31.843 3.604462       44.71187 
1 1 1 0   7  17 o 424.760 18.142 38.289  3.2634 36.563  5.6072  39.173  4.0130 412.839 32.330 428.831 22.173 -15.99185      39.20288 
1 1 1 0   7  18 f 328.656 18.309 22.997  2.5382 25.140  4.3102  21.860  3.1404 342.178 30.049 319.838 23.347 22.34012       38.05235 
1 1 1 0   7  19 o 582.017 18.304 71.919  4.5115 76.157  7.8167  69.802  5.5246 596.644 31.043 572.971 22.768 23.67358       38.49741 
1 1 1 0   7  20 o 703.508 18.669 105.130 5.5620 98.490  9.5695  108.517 6.8351 678.597 33.299 714.226 22.598 -35.62939      40.24288 
1 1 1 0   7  21 f 735.679 18.900 115.013 5.8883 107.554 10.146  118.800 7.2305 708.645 33.809 747.077 22.854 -38.43207      40.80878 
1 1 1 0   7  22 o 873.211 33.712 163.407 12.467 163.407 12.467  0.0000  0.0000 873.211 33.712 ?       ?      0.000000       33.71184 
1 1 1 0   7  23 o 130.833 33.106 3.8139  1.8358 0.0000  0.0000  3.8139  1.8358 ?       ?      130.833 33.106 0.000000       33.10614 
1 1 1 0   7  24 o 651.713 18.911 90.439  5.2192 87.170  8.9784  92.108  6.4144 635.215 33.494 656.806 23.061 -21.59137      40.66531 
1 1 1 0   7  25 o 494.396 18.879 52.119  3.9527 57.785  6.8508  49.292  4.8395 516.485 31.471 479.813 23.817 36.67209       39.46734 
1 1 1 0   7  26 o 296.948 23.800 19.032  2.9678 16.144  4.2135  21.877  4.1810 269.276 38.005 316.319 31.635 -47.04395      49.44882 
1 1 1 0   7  27 o 307.279 19.393 20.277  2.5107 21.577  4.2816  19.596  3.0995 313.082 32.779 300.781 24.547 12.30103       40.95120 
1 1 1 0   7  28 f 221.603 27.113 10.813  2.4914 0.0000  0.0000  10.813  2.4914 ?       ?      221.603 27.113 0.000000       27.11292 
1 1 1 0   7  29 o 108.146 37.462 2.4221  2.0921 2.4221  2.0921  0.0000  0.0000 108.146 37.462 ?       ?      0.000000       37.46159 
1 1 1 0   7  30 o 303.418 24.639 20.184  3.1387 0.0000  0.0000  20.184  3.1387 ?       ?      303.418 24.639 0.000000       24.63915 
1 1 1 0   7  31 o 67.471  25.675 0.7280  1.0154 0.9768  1.5769  0.5518  1.3271 81.136  31.698 70.840  28.615 10.29572       42.70355 
1 1 1 0   8  0  o 721.035 14.780 110.206 4.5130 109.774 6.3934  110.635 6.3713 719.219 20.991 722.045 20.836 -2.826904      29.57627 
1 1 1 0   8  1  o 193.251 8.9763 7.9142  0.7346 8.2237  1.0292  7.5928  1.0489 196.529 12.430 188.737 13.206 7.791992       18.13584 
1 1 1 0   8  2  o 354.264 11.414 26.610  1.7124 26.451  2.0623  26.962  3.0729 353.101 13.791 355.500 20.498 -2.399231      24.70565 
1 1 1 0   8  3  o 1535.54 23.180 501.962 15.074 501.962 15.074  0.0000  0.0000 1535.54 23.180 ?       ?      0.000000       23.17983 
1 1 1 0   8  4  o 55.092  20.222 0.5118  0.6183 0.5118  0.6183  0.0000  0.0000 55.092  20.222 ?       ?      0.000000       20.22184 
1 1 1 0   8  5  o 690.958 26.070 101.776 7.6285 101.776 7.6285  0.0000  0.0000 690.958 26.070 ?       ?      0.000000       26.07010 
1 1 1 0   8  6  o 507.526 26.530 55.073  5.6824 0.0000  0.0000  55.073  5.6824 ?       ?      507.526 26.530 0.000000       26.53015 
1 1 1 0   8  7  o 378.047 18.709 30.376  2.9953 31.521  4.1611  29.146  4.3151 383.612 25.763 368.447 27.861 15.16571       37.94665 
1 1 1 0   8  8  o 617.426 20.056 81.104  5.2441 81.136  7.2614  81.069  7.5816 616.202 27.826 615.690 29.077 0.5119019      40.24675 
1 1 1 0   8  9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   8  10 o 387.350 20.384 32.065  3.3319 31.236  4.6495  32.940  4.7772 380.487 29.075 390.788 29.074 -10.30133      41.11798 
1 1 1 0   8  11 o 75.699  24.250 1.1974  0.8798 0.4403  1.2060  2.0586  1.2862 67.673  27.299 97.276  29.021 -29.60303      39.84300 
1 1 1 0   8  12 o 192.695 21.954 8.0285  1.7595 7.2061  2.4362  8.9254  2.5441 180.055 33.171 201.451 30.799 -21.39594      45.26469 
1 1 1 0   8  13 o 252.962 21.854 13.746  2.3181 12.872  3.1938  14.719  3.3700 242.742 31.836 259.974 31.234 -17.23215      44.59957 
1 1 1 0   8  14 f 522.392 30.709 58.615  6.7639 58.615  6.7639  0.0000  0.0000 522.392 30.709 ?       ?      0.000000       30.70934 
1 1 1 0   8  15 o 360.076 32.270 27.924  4.8686 0.0000  0.0000  27.924  4.8686 ?       ?      360.076 32.270 0.000000       32.26988 
1 1 1 0   8  16 f 860.417 23.162 157.374 8.4399 157.905 11.847  156.826 12.027 860.238 32.519 857.169 33.131 3.069458       46.42389 
1 1 1 0   8  17 o 656.159 22.494 91.481  6.2505 91.959  8.7707  90.987  8.9100 656.782 31.533 653.207 32.210 3.575317       45.07539 
1 1 1 0   8  18 o 741.359 22.791 116.817 7.1554 118.811 10.073  114.786 10.166 746.321 31.870 733.422 32.731 12.89893       45.68406 
1 1 1 0   8  19 o 1776.72 24.173 671.601 18.189 612.065 31.335  701.854 22.337 1687.01 43.860 1814.38 29.070 -127.3662      52.61917 
1 1 1 0   8  20 o 779.683 18.842 129.145 6.2213 150.549 10.816  118.562 7.6053 839.609 30.419 746.284 24.064 93.32410       38.78680 
1 1 1 0   8  21 o 237.410 25.410 12.148  2.5151 11.081  3.6655  13.097  3.4573 223.681 40.172 244.949 34.267 -21.26721      52.80148 
1 1 1 0   8  22 o 487.531 22.768 50.610  4.7008 53.485  6.5823  47.618  6.7156 499.004 31.307 470.125 33.960 28.87903       46.18835 
1 1 1 0   8  23 o 276.935 25.317 16.503  2.9363 0.0000  0.0000  16.503  2.9363 ?       ?      276.935 25.317 0.000000       25.31689 
1 1 1 0   8  24 o 644.594 18.877 88.488  5.1532 93.985  8.9185  85.733  6.3138 660.815 31.869 633.473 23.535 27.34222       39.61740 
1 1 1 0   8  25 o 537.889 18.747 61.697  4.2705 60.489  7.3262  62.319  5.2557 527.772 32.943 539.635 22.998 -11.86279      40.17638 
1 1 1 0   8  26 o 493.033 18.922 51.906  3.9508 53.995  6.7962  50.840  4.8554 497.866 32.410 486.825 23.551 11.04077       40.06366 
1 1 1 0   8  27 o 603.581 18.997 77.926  4.8559 72.378  8.3595  80.752  5.9655 574.136 34.542 612.998 22.980 -38.86218      41.48780 
1 1 1 0   8  28 o 293.849 24.875 18.816  3.0664 0.0000  0.0000  18.816  3.0664 ?       ?      293.849 24.875 0.000000       24.87463 
1 1 1 0   8  29 f 566.610 33.526 71.281  8.0089 71.281  8.0089  0.0000  0.0000 566.610 33.526 ?       ?      0.000000       33.52602 
1 1 1 0   8  30 o 268.757 25.537 15.913  2.8715 0.0000  0.0000  15.913  2.8715 ?       ?      268.757 25.537 0.000000       25.53653 
1 1 1 0   8  31 o 250.933 20.934 13.736  2.2043 11.969  3.6839  14.721  2.7512 225.639 40.017 258.054 25.509 -32.41513      47.45614 
1 1 1 0   9  1  o 642.912 14.313 87.703  3.8970 87.703  3.8970  0.0000  0.0000 642.912 14.313 ?       ?      0.000000       14.31311 
1 1 1 0   9  2  o 417.116 13.823 36.912  2.4418 36.912  2.4418  0.0000  0.0000 417.116 13.823 ?       ?      0.000000       13.82311 
1 1 1 0   9  3  o 718.047 16.077 109.458 4.8889 104.794 7.0641  113.745 6.7728 701.502 23.779 731.167 21.873 -29.66486      32.30872 
1 1 1 0   9  4  o 762.006 14.409 123.206 4.6499 124.540 8.1496  122.563 5.6620 764.491 25.172 759.624 17.601 4.867310       30.71497 
1 1 1 0   9  5  o 325.920 24.388 22.750  3.3418 0.0000  0.0000  22.750  3.3418 ?       ?      325.920 24.388 0.000000       24.38827 
1 1 1 0   9  6  o 266.714 25.567 15.301  2.8524 0.0000  0.0000  15.301  2.8524 ?       ?      266.714 25.567 0.000000       25.56685 
1 1 1 0   9  7  o 1082.51 21.701 249.436 9.9484 248.086 13.909  250.849 14.235 1076.82 30.501 1082.60 31.049 -5.777222      43.52402 
1 1 1 0   9  8  o 226.014 19.060 10.941  1.8073 10.602  2.5032  11.311  2.6121 221.115 27.313 228.440 27.558 -7.324707      38.79972 
1 1 1 0   9  9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   9  10 o 585.800 20.459 73.172  5.0755 67.044  7.0353  79.823  7.3295 557.774 29.893 609.889 28.378 -52.11481      41.21727 
1 1 1 0   9  11 o 169.951 22.126 6.2707  1.5547 3.7621  2.1253  9.1582  2.2802 129.989 36.893 204.949 26.922 -74.96024      45.67193 
1 1 1 0   9  12 o 671.606 21.421 96.259  6.0925 96.879  8.5166  95.609  8.7191 671.271 29.959 666.539 30.889 4.732056       43.03087 
1 1 1 0   9  13 o 486.487 21.275 50.439  4.3832 53.404  6.1001  47.275  6.3024 498.381 29.028 468.039 31.988 30.34238       43.19565 
1 1 1 0   9  14 o 414.599 30.537 36.966  5.3239 36.966  5.3239  0.0000  0.0000 414.599 30.537 ?       ?      0.000000       30.53685 
1 1 1 0   9  15 o 211.064 35.402 9.7851  3.0523 0.0000  0.0000  9.7851  3.0523 ?       ?      211.064 35.402 0.000000       35.40231 
1 1 1 0   9  16 o 253.764 23.416 13.804  2.4880 14.401  3.4189  13.132  3.6276 257.917 31.988 245.374 35.979 12.54364       48.14234 
1 1 1 0   9  17 o 1139.57 24.774 276.145 11.956 280.853 16.774  271.282 17.046 1146.96 34.534 1126.92 35.717 20.03418       49.68212 
1 1 1 0   9  18 o 439.984 22.376 41.249  4.1555 42.149  5.8006  40.300  5.9560 443.497 31.081 433.338 32.696 10.15933       45.11149 
1 1 1 0   9  19 o 1205.00 25.361 309.115 12.942 297.325 18.153  321.303 18.457 1178.46 36.373 1225.35 35.567 -46.89294      50.87249 
1 1 1 0   9  20 o 1070.87 20.033 243.746 9.0848 245.677 15.634  242.762 11.163 1071.12 34.465 1067.65 24.689 3.471802       42.39601 
1 1 1 0   9  21 f 531.984 32.047 60.775  7.1863 60.775  7.1863  0.0000  0.0000 531.984 32.047 ?       ?      0.000000       32.04749 
1 1 1 0   9  22 o 191.675 22.701 7.9310  1.8069 6.0003  3.0841  8.9402  2.2297 163.771 43.669 203.005 26.573 -39.23438      51.11842 
1 1 1 0   9  23 o 427.534 23.210 39.088  4.1866 0.0000  0.0000  39.088  4.1866 ?       ?      427.534 23.210 0.000000       23.21031 
1 1 1 0   9  24 o 226.247 21.390 11.017  2.0251 10.955  3.4643  11.049  2.4960 221.815 38.262 225.583 26.642 -3.768539      46.62329 
1 1 1 0   9  25 o 769.305 19.214 126.276 6.2599 125.817 10.835  126.507 7.6694 761.982 33.577 768.537 23.564 -6.554749      41.02079 
1 1 1 0   9  26 o 142.251 26.162 4.4866  1.5180 4.2400  2.6502  4.6070  1.8518 137.855 41.779 143.145 31.410 -5.289017      52.26942 
1 1 1 0   9  27 o 593.267 19.024 75.313  4.7796 82.773  8.3222  71.641  5.8385 615.329 32.047 576.888 23.898 38.44171       39.97702 
1 1 1 0   9  28 o 119.966 39.584 3.1335  2.3348 0.0000  0.0000  3.1335  2.3348 ?       ?      119.966 39.584 0.000000       39.58384 
1 1 1 0   9  29 o 163.035 31.980 6.0462  2.1292 6.2582  2.8487  5.7779  3.2048 163.235 41.205 156.465 45.584 6.769333       61.44663 
1 1 1 0   9  30 o 147.025 31.814 4.9760  1.9233 0.0000  0.0000  4.9760  1.9233 ?       ?      147.025 31.814 0.000000       31.81379 
1 1 1 0   9  31 o 537.630 19.333 62.448  4.4017 66.981  7.6096  60.169  5.3960 545.595 33.091 524.718 24.283 20.87708       41.04457 
1 1 1 0   10 0  o 702.690 20.792 104.784 6.1872 0.0000  0.0000  104.784 6.1872 ?       ?      702.690 20.792 0.000000       20.79155 
1 1 1 0   10 1  o 1186.99 15.216 299.039 7.6488 300.304 13.196  298.398 9.3865 1186.75 26.256 1185.01 18.704 1.742920       32.23690 
1 1 1 0   10 2  o 237.803 13.474 12.035  1.3513 0.0000  0.0000  12.035  1.3513 ?       ?      237.803 13.474 0.000000       13.47369 
1 1 1 0   10 3  o 418.016 14.811 37.082  2.6220 0.0000  0.0000  37.082  2.6220 ?       ?      418.016 14.811 0.000000       14.81111 
1 1 1 0   10 4  o 377.962 15.520 30.322  2.4841 0.0000  0.0000  30.322  2.4841 ?       ?      377.962 15.520 0.000000       15.51971 
1 1 1 0   10 5  o 346.253 13.228 25.432  1.9397 28.417  3.4271  24.025  2.3528 364.739 22.294 336.370 16.517 28.36920       27.74585 
1 1 1 0   10 6  o 268.022 17.340 15.324  1.9576 16.502  2.7582  14.127  2.7788 277.327 23.713 256.074 25.984 21.25354       35.17775 
1 1 1 0   10 7  o 147.959 19.075 4.7315  1.1674 4.9447  1.6533  4.5195  1.6485 149.929 27.034 142.989 28.225 6.940079       39.08338 
1 1 1 0   10 8  o 320.236 18.407 21.883  2.4858 22.610  3.4572  21.104  3.5767 324.439 25.364 313.021 27.253 11.41788       37.23028 
1 1 1 0   10 9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   10 10 o 101.411 23.380 2.2856  0.9835 2.9327  1.3641  1.5850  1.4193 114.642 28.274 89.743  30.869 24.89865       41.86044 
1 1 1 0   10 11 o 235.962 20.497 11.968  2.0279 12.522  2.7943  11.351  2.9475 239.903 28.033 227.446 31.441 12.45682       42.12326 
1 1 1 0   10 12 o 280.521 20.753 16.872  2.4479 14.642  3.3441  19.448  3.5930 259.108 31.097 299.696 28.659 -40.58847      42.28926 
1 1 1 0   10 13 o 716.744 30.317 110.147 9.2022 110.147 9.2022  0.0000  0.0000 716.744 30.317 ?       ?      0.000000       30.31696 
1 1 1 0   10 14 o 184.949 24.378 7.4119  1.8628 7.3217  2.5468  7.5157  2.7318 181.943 34.312 184.021 36.344 -2.078018      49.98186 
1 1 1 0   10 15 o 342.440 31.967 25.251  4.5822 0.0000  0.0000  25.251  4.5822 ?       ?      342.440 31.967 0.000000       31.96682 
1 1 1 0   10 16 o 769.492 22.545 125.831 7.3469 129.084 10.267  122.417 10.518 778.103 31.158 757.463 32.788 20.63989       45.23126 
1 1 1 0   10 17 o 693.320 22.456 102.146 6.5935 101.545 9.1915  102.782 9.4638 690.106 31.451 694.184 32.192 -4.078430      45.00502 
1 1 1 0   10 18 f 1188.97 25.082 300.766 12.629 295.727 17.687  306.008 18.039 1176.15 35.510 1196.39 35.604 -20.23962      50.28523 
1 1 1 0   10 19 o 723.619 22.851 111.375 7.0025 115.334 9.7813  107.213 10.029 734.899 31.429 708.156 33.442 26.74310       45.89283 
1 1 1 0   10 20 o 793.347 23.311 133.976 7.8318 142.054 10.949  125.511 11.208 815.094 31.718 765.469 34.574 49.62524       46.91883 
1 1 1 0   10 21 o 120.591 40.260 2.9642  2.4128 2.9642  2.4128  0.0000  0.0000 120.591 40.260 ?       ?      0.000000       40.26023 
1 1 1 0   10 22 o 321.266 19.306 22.024  2.6144 21.762  4.4823  22.160  3.2186 316.800 33.938 321.612 23.800 -4.812561      41.45155 
1 1 1 0   10 23 o 353.015 23.647 26.705  3.5148 0.0000  0.0000  26.705  3.5148 ?       ?      353.015 23.647 0.000000       23.64706 
1 1 1 0   10 24 o 795.486 19.209 134.857 6.4711 134.648 11.114  134.964 7.9595 789.838 33.226 794.486 23.657 -4.648132      40.78752 
1 1 1 0   10 25 o 331.416 19.398 23.523  2.7106 27.905  4.6727  21.300  3.3278 358.062 31.125 314.061 25.233 44.00119       40.06832 
1 1 1 0   10 26 o 233.372 21.079 11.750  2.0608 11.634  3.5893  11.807  2.5170 227.425 38.650 232.841 25.969 -5.416092      46.56388 
1 1 1 0   10 27 o 279.816 25.762 17.046  3.0185 16.789  4.1234  17.343  4.4306 274.016 36.437 277.648 38.737 -3.631836      53.18057 
1 1 1 0   10 28 o 235.516 25.960 12.179  2.5462 9.4425  3.5945  14.934  3.6072 200.718 43.540 258.132 33.811 -57.41371      55.12600 
1 1 1 0   10 29 o 90.811  33.395 1.5133  1.6875 1.1885  2.2580  1.9243  2.5398 94.392  37.602 106.073 40.550 -11.68044      55.30056 
1 1 1 0   10 30 o 274.069 35.243 17.144  3.9957 0.0000  0.0000  17.144  3.9957 ?       ?      274.069 35.243 0.000000       35.24269 
1 1 1 0   10 31 o 650.086 19.468 91.345  5.3597 101.892 9.2787  86.063  6.5659 674.455 32.485 627.114 24.723 47.34088       40.82326 
1 1 1 0   11 1  o 388.874 13.363 32.079  2.2006 0.0000  0.0000  32.079  2.2006 ?       ?      388.874 13.363 0.000000       13.36251 
1 1 1 0   11 2  o 237.085 10.858 11.916  1.0902 12.101  1.8826  11.823  1.3372 237.892 18.841 235.698 13.453 2.193909       23.15080 
1 1 1 0   11 3  o 1093.20 13.200 253.503 6.1113 250.440 8.6052  256.619 8.6806 1085.61 18.717 1098.94 18.652 -13.32336      26.42446 
1 1 1 0   11 4  o 580.260 11.403 71.390  2.8022 71.478  3.9407  71.299  3.9854 580.241 16.037 579.498 16.240 0.7427979      22.82351 
1 1 1 0   11 5  o 1065.35 16.214 241.003 7.3151 240.857 12.747  241.075 8.9324 1061.96 28.343 1064.77 19.809 -2.809814      34.57939 
1 1 1 0   11 6  o 771.131 18.761 126.419 6.1266 130.424 8.5976  122.288 8.7326 781.816 25.967 756.746 27.249 25.06982       37.64051 
1 1 1 0   11 7  o 397.122 17.678 33.524  2.9731 32.785  4.1562  34.298  4.2548 391.141 25.226 400.102 25.240 -8.960632      35.68468 
1 1 1 0   11 8  o 539.009 18.554 61.816  4.2353 59.511  5.8711  64.318  6.1157 527.587 26.277 548.468 26.330 -20.88080      37.19886 
1 1 1 0   11 9  f 353.756 27.439 26.976  4.0786 0.0000  0.0000  26.976  4.0786 ?       ?      353.756 27.439 0.000000       27.43918 
1 1 1 0   11 10 o 413.823 19.227 36.503  3.3695 35.663  4.6476  37.433  4.8921 406.840 27.131 416.652 27.887 -9.812164      38.90668 
1 1 1 0   11 11 o 351.135 19.707 26.372  2.9187 26.691  4.0182  26.016  4.2465 351.680 27.191 346.683 29.195 4.997040       39.89638 
1 1 1 0   11 12 o 207.493 21.333 9.2778  1.8478 8.4950  2.4689  10.275  2.7862 196.586 30.656 216.452 31.305 -19.86600      43.81542 
1 1 1 0   11 13 o 561.955 29.055 67.772  6.8909 67.772  6.8909  0.0000  0.0000 561.955 29.055 ?       ?      0.000000       29.05468 
1 1 1 0   11 14 o 91.529  34.397 1.3284  1.8088 0.0000  0.0000  1.3284  1.8088 ?       ?      91.529  34.397 0.000000       34.39692 
1 1 1 0   11 15 o 1192.58 24.515 302.591 12.381 299.311 17.292  306.040 17.735 1183.35 34.506 1196.41 35.004 -13.06519      49.15250 
1 1 1 0   11 16 o 1220.52 24.936 316.819 12.889 330.400 18.013  302.572 18.450 1244.02 34.192 1189.76 36.618 54.25647       50.09914 
1 1 1 0   11 17 o 503.347 21.818 53.830  4.6507 52.923  6.4357  54.821  6.7282 497.334 30.707 506.063 31.551 -8.728638      44.02718 
1 1 1 0   11 18 o 93.354  30.932 1.7650  1.4252 3.0579  1.9830  0.3836  2.0497 119.220 36.141 84.397  34.990 34.82290       50.30367 
1 1 1 0   11 19 o 998.123 23.987 212.034 10.139 209.311 14.185  214.879 14.498 989.187 33.862 1002.17 34.160 -12.97986      48.09906 
1 1 1 0   11 20 o 288.356 24.212 17.832  2.9293 19.636  4.0942  15.940  4.1929 301.222 32.616 269.972 37.703 31.25015       49.85277 
1 1 1 0   11 21 o 93.011  36.689 1.0532  2.1303 1.0532  2.1303  0.0000  0.0000 93.011  36.689 ?       ?      0.000000       36.68943 
1 1 1 0   11 22 o 97.745  37.509 1.3982  2.1784 0.0000  0.0000  1.3982  2.1784 ?       ?      97.745  37.509 0.000000       37.50896 
1 1 1 0   11 23 o 460.590 22.886 45.256  4.4641 43.018  6.2803  47.541  6.3466 445.979 33.497 469.345 32.124 -23.36591      46.41085 
1 1 1 0   11 24 o 293.134 19.987 18.411  2.4664 21.866  4.2220  16.621  3.0388 316.910 31.892 277.248 26.192 39.66165       41.26839 
1 1 1 0   11 25 o 102.935 29.794 2.3371  1.3731 2.7881  2.3553  2.1049  1.6901 116.715 39.774 101.002 33.695 15.71339       52.12762 
1 1 1 0   11 26 o 122.800 28.012 3.3824  1.4245 2.1125  2.4884  4.0015  1.7374 109.145 40.477 133.233 31.321 -24.08826      51.17936 
1 1 1 0   11 27 o 82.481  31.876 1.0045  1.5813 1.0990  2.0981  0.8803  2.4061 91.762  36.343 94.000  38.325 -2.237892      52.81663 
1 1 1 0   11 28 o 260.187 24.795 14.798  2.6990 16.562  3.8263  13.052  3.8077 271.843 33.979 238.782 39.002 33.06084       51.72693 
1 1 1 0   11 29 o 73.521  28.243 0.8291  1.2359 0.8893  2.2459  0.8029  1.4801 90.917  37.043 77.497  30.578 13.42075       48.03306 
1 1 1 0   11 30 o 262.290 35.739 15.772  3.8664 0.0000  0.0000  15.772  3.8664 ?       ?      262.290 35.739 0.000000       35.73879 
1 1 1 0   11 31 o 531.442 19.331 61.036  4.3506 60.197  7.4258  61.475  5.3685 515.902 34.182 530.528 23.895 -14.62573      41.70596 
1 1 1 0   12 0  o 186.200 13.333 7.3856  1.0444 7.5908  1.4725  7.1778  1.4815 188.244 18.719 182.914 19.423 5.330261       26.97530 
1 1 1 0   12 1  o 295.960 9.2510 18.563  1.1595 18.387  1.6212  18.748  1.6589 294.425 13.003 297.295 13.176 -2.870453      18.51174 
1 1 1 0   12 2  o 286.107 9.4274 17.349  1.1423 17.060  1.6131  17.639  1.6177 283.582 13.432 288.366 13.247 -4.784210      18.86509 
1 1 1 0   12 3  o 418.700 10.103 37.160  1.7915 38.071  2.5160  36.224  2.5515 423.594 14.025 413.153 14.583 10.44052       20.23274 
1 1 1 0   12 4  o 934.659 12.740 185.301 5.0426 183.723 7.1082  186.900 7.1547 929.855 18.051 937.867 18.014 -8.011780      25.50181 
1 1 1 0   12 5  o 482.985 13.241 49.493  2.7084 50.206  4.7170  49.142  3.3080 485.491 22.943 481.031 16.239 4.460175       28.10801 
1 1 1 0   12 6  o 336.603 13.447 24.044  1.9169 26.009  3.3708  23.104  2.3304 348.618 22.961 329.339 16.764 19.27933       28.42927 
1 1 1 0   12 7  o 279.272 17.435 16.646  2.0517 16.519  2.8782  16.777  2.9254 277.091 24.790 279.222 25.005 -2.131317      35.21030 
1 1 1 0   12 8  o 86.419  21.708 1.6547  0.7934 1.3886  1.1239  1.9190  1.1203 82.682  27.472 93.612  26.858 -10.92974      38.41985 
1 1 1 0   12 9  o 26.973  13.045 -0.7435 0.4548 0.0000  0.0000  -0.7435 0.4548 ?       ?      26.973  13.045 0.000000       13.04521 
1 1 1 0   12 10 o 236.406 19.115 11.990  1.8974 13.226  2.6131  10.612  2.7593 247.215 25.317 220.028 30.427 27.18701       39.58266 
1 1 1 0   12 11 o 160.658 22.132 5.6134  1.4658 3.7155  1.9237  8.2411  2.2636 128.897 34.541 193.947 28.401 -65.05052      44.71782 
1 1 1 0   12 12 o 627.626 28.203 84.414  7.4963 84.414  7.4963  0.0000  0.0000 627.626 28.203 ?       ?      0.000000       28.20340 
1 1 1 0   12 13 o 204.371 22.237 8.9996  1.8936 7.9431  2.5913  10.210  2.7737 189.716 33.477 216.187 31.199 -26.47134      45.76179 
1 1 1 0   12 14 o 301.735 31.179 19.654  3.9266 0.0000  0.0000  19.654  3.9266 ?       ?      301.735 31.179 0.000000       31.17872 
1 1 1 0   12 15 o 444.863 21.014 42.047  3.9589 43.275  5.4692  40.695  5.7379 449.734 28.868 435.659 31.309 14.07584       42.58690 
1 1 1 0   12 16 o 1296.56 25.235 357.558 13.856 359.486 19.323  355.517 19.879 1297.32 35.172 1289.75 36.396 7.575928       50.61347 
1 1 1 0   12 17 o 203.360 24.395 8.9196  2.0590 8.3160  2.7915  9.6399  3.0493 194.369 35.210 209.559 35.636 -15.19069      50.09626 
1 1 1 0   12 18 o 628.806 22.104 84.056  5.8860 77.038  8.1486  91.712  8.5115 599.816 32.197 655.624 30.655 -55.80750      44.45647 
1 1 1 0   12 19 o 1029.73 24.069 225.727 10.496 217.452 14.631  234.501 15.066 1007.92 34.277 1046.79 33.985 -38.86182      48.26864 
1 1 1 0   12 20 o 410.287 22.763 35.942  3.9397 36.546  5.4747  35.292  5.6737 412.171 31.605 404.620 33.410 7.551117       45.99025 
1 1 1 0   12 21 o 162.099 40.303 5.8817  2.7549 5.8817  2.7549  0.0000  0.0000 162.099 40.303 ?       ?      0.000000       40.30263 
1 1 1 0   12 22 o 1147.11 36.165 282.993 17.569 0.0000  0.0000  282.993 17.569 ?       ?      1147.11 36.165 0.000000       36.16514 
1 1 1 0   12 23 o 248.135 24.997 13.289  2.5910 14.773  3.6462  11.776  3.6826 259.807 33.952 230.193 39.180 29.61411       51.84380 
1 1 1 0   12 24 o 505.331 18.745 54.433  4.0115 58.626  6.8673  52.261  4.9423 520.464 31.302 494.183 23.616 26.28091       39.21138 
1 1 1 0   12 25 o 338.966 19.416 24.617  2.7756 25.931  4.6816  23.904  3.4466 344.409 32.482 332.823 24.628 11.58536       40.76263 
1 1 1 0   12 26 o 585.584 18.849 73.288  4.6742 68.985  7.9939  75.523  5.7619 561.500 33.775 593.127 22.939 -31.62640      40.82810 
1 1 1 0   12 27 o 260.911 36.141 15.283  3.8861 15.283  3.8861  0.0000  0.0000 260.911 36.141 ?       ?      0.000000       36.14079 
1 1 1 0   12 28 o 326.306 24.806 23.216  3.4022 24.389  4.7965  22.030  4.8266 329.988 34.850 312.275 37.231 17.71329       50.99687 
1 1 1 0   12 29 o 330.255 19.741 23.583  2.7483 21.782  4.7208  24.507  3.3802 309.619 36.719 335.056 23.980 -25.43695      43.85600 
1 1 1 0   12 30 o 629.899 34.019 89.486  9.0411 0.0000  0.0000  89.486  9.0411 ?       ?      629.899 34.019 0.000000       34.01889 
1 1 1 0   13 1  o 600.016 10.094 76.314  2.5649 77.916  3.5949  74.653  3.6606 605.982 14.008 593.107 14.574 12.87488       20.21461 
1 1 1 0   13 2  o 267.513 9.4620 15.168  1.0719 15.866  1.5144  14.466  1.5175 273.484 13.076 260.753 13.792 12.73056       19.00466 
1 1 1 0   13 3  o 94.280  12.040 1.9157  0.4697 0.8183  0.6541  3.0845  0.6750 63.543  20.951 119.813 13.541 -56.27063      24.94596 
1 1 1 0   13 4  o 226.346 10.499 10.862  1.0064 11.459  1.4141  10.249  1.4327 231.901 14.471 219.161 15.537 12.73955       21.23246 
1 1 1 0   13 5  f 308.624 12.726 20.208  1.6633 19.464  2.8491  20.592  2.0486 301.451 22.480 311.397 15.535 -9.946716      27.32517 
1 1 1 0   13 6  f 266.253 13.298 15.045  1.4994 17.151  2.5983  13.994  1.8360 282.888 21.858 256.037 17.029 26.85056       27.70899 
1 1 1 0   13 7  o 335.940 17.266 24.063  2.4481 24.032  3.4198  24.094  3.5059 334.604 24.300 334.923 24.896 -0.3194275     34.78914 
1 1 1 0   13 8  o 327.127 17.797 22.843  2.4562 22.463  3.4360  23.241  3.5124 323.049 25.318 328.607 25.438 -5.557709      35.89006 
1 1 1 0   13 9  o 349.564 26.456 26.348  3.8874 0.0000  0.0000  26.348  3.8874 ?       ?      349.564 26.456 0.000000       26.45575 
1 1 1 0   13 10 o 401.884 18.769 34.426  3.1943 30.182  4.3419  39.434  4.7163 373.889 27.617 428.031 26.144 -54.14154      38.02883 
1 1 1 0   13 11 o 492.981 19.449 51.794  4.0604 47.581  5.5111  56.795  6.0052 470.145 27.803 513.823 27.700 -43.67847      39.24673 
1 1 1 0   13 12 o 258.234 29.822 14.480  3.2014 14.480  3.2014  0.0000  0.0000 258.234 29.822 ?       ?      0.000000       29.82211 
1 1 1 0   13 13 o 397.888 29.749 34.035  4.9765 0.0000  0.0000  34.035  4.9765 ?       ?      397.888 29.749 0.000000       29.74883 
1 1 1 0   13 14 o 1836.45 29.034 719.404 22.580 710.992 31.480  728.318 32.406 1819.15 40.862 1840.71 41.572 -21.56555      58.29182 
1 1 1 0   13 15 o 320.880 21.109 21.968  2.8525 21.551  3.9258  22.434  4.1519 316.642 29.620 322.935 30.729 -6.293030      42.68059 
1 1 1 0   13 16 o 1506.94 26.599 483.272 16.975 470.579 23.632  496.800 24.398 1483.29 37.622 1523.98 37.803 -40.69226      53.33329 
1 1 1 0   13 17 o 336.625 21.882 24.182  3.1025 23.865  4.2783  24.534  4.5058 333.149 30.669 337.621 31.891 -4.472321      44.24513 
1 1 1 0   13 18 o 771.299 22.444 126.504 7.3310 122.682 10.120  130.725 10.635 757.999 31.525 782.331 32.100 -24.33203      44.99097 
1 1 1 0   13 19 o 483.387 22.038 49.707  4.5115 49.888  6.2133  49.506  6.5613 482.292 30.579 480.046 32.466 2.246185       44.59927 
1 1 1 0   13 20 o 726.464 22.603 112.349 6.9538 114.032 9.6276  110.513 10.055 730.136 31.136 718.322 33.052 11.81396       45.40837 
1 1 1 0   13 21 o 215.501 36.793 10.248  3.2373 10.248  3.2373  0.0000  0.0000 215.501 36.793 ?       ?      0.000000       36.79333 
1 1 1 0   13 22 o 174.620 43.070 6.8623  3.1652 0.0000  0.0000  6.8623  3.1652 ?       ?      174.620 43.070 0.000000       43.06993 
1 1 1 0   13 23 o 268.302 24.866 15.520  2.7932 16.090  3.8097  14.858  4.1075 271.195 33.913 259.217 38.595 11.97827       51.37724 
1 1 1 0   13 24 o 846.195 23.710 153.319 8.4965 143.229 11.798  164.191 12.247 812.987 34.267 871.057 33.199 -58.07001      47.71148 
1 1 1 0   13 25 o 153.731 25.705 5.2129  1.6144 8.5276  2.8251  3.6055  1.9673 195.010 35.517 126.740 35.329 68.27005       50.09583 
1 1 1 0   13 26 o 211.637 21.453 9.6980  1.8962 7.0563  3.1159  11.252  2.3896 174.957 42.480 227.215 25.261 -52.25803      49.42312 
1 1 1 0   13 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   13 28 o 205.350 27.807 9.3577  2.3560 11.303  3.2040  7.0670  3.4764 223.288 35.036 172.236 46.551 51.05228       58.26279 
1 1 1 0   13 29 o 64.946  28.232 -0.1528 1.4472 0.0000  0.0000  -0.1528 1.4472 ?       ?      64.946  28.232 0.000000       28.23241 
1 1 1 0   13 30 o 439.042 23.564 42.176  4.3653 37.096  6.1014  47.503  6.2482 403.016 36.133 459.645 32.304 -56.62985      48.46769 
1 1 1 0   14 0  o 260.593 13.247 14.431  1.4571 14.216  2.0667  14.642  2.0547 258.155 19.038 262.053 18.636 -3.898438      26.64102 
1 1 1 0   14 1  o 374.815 9.4539 29.777  1.5006 30.409  2.1002  29.117  2.1449 378.600 13.099 370.439 13.673 8.161346       18.93462 
1 1 1 0   14 2  o 593.919 10.246 74.780  2.5771 76.261  3.6385  73.288  3.6508 599.433 14.333 587.599 14.671 11.83374       20.51029 
1 1 1 0   14 3  o 519.956 10.294 57.317  2.2666 53.441  3.1742  61.350  3.2378 501.724 14.939 537.637 14.220 -35.91345      20.62513 
1 1 1 0   14 4  o 84.543  14.067 1.5576  0.4859 1.8806  0.6976  1.2531  0.6773 92.428  18.469 75.532  20.603 16.89595       27.66895 
1 1 1 0   14 5  o 151.549 11.814 4.9014  0.7522 5.3625  1.0672  4.4463  1.0604 158.052 16.172 143.522 17.830 14.53082       24.07197 
1 1 1 0   14 6  o 221.369 13.476 10.441  1.2574 11.528  2.1587  9.8838  1.5469 231.462 22.298 214.927 17.137 16.53519       28.12269 
1 1 1 0   14 7  o 352.758 13.925 26.430  2.0802 27.129  3.5553  26.066  2.5652 355.585 23.746 350.031 17.305 5.553894       29.38243 
1 1 1 0   14 8  o 360.928 24.711 28.015  3.7543 28.015  3.7543  0.0000  0.0000 360.928 24.711 ?       ?      0.000000       24.71077 
1 1 1 0   14 9  o 416.892 18.143 37.029  3.2031 34.685  4.4230  39.614  4.6450 401.335 26.166 429.141 25.677 -27.80600      36.66015 
1 1 1 0   14 10 f 119.132 24.498 3.1471  1.1947 3.6081  1.5684  2.5098  1.8440 127.031 29.688 108.967 35.129 18.06316       45.99381 
1 1 1 0   14 11 o 414.371 26.528 36.915  4.6308 36.915  4.6308  0.0000  0.0000 414.371 26.528 ?       ?      0.000000       26.52835 
1 1 1 0   14 12 o 275.955 20.356 16.299  2.3621 17.529  3.2254  14.877  3.4688 285.110 27.037 261.439 31.998 23.67084       41.89132 
1 1 1 0   14 13 o 585.707 29.795 73.488  7.3660 0.0000  0.0000  73.488  7.3660 ?       ?      585.707 29.795 0.000000       29.79476 
1 1 1 0   14 14 o 543.557 20.299 62.775  4.6727 60.420  6.3933  65.477  6.8464 531.634 28.501 553.344 29.321 -21.70984      40.88997 
1 1 1 0   14 15 o 1212.20 24.045 312.465 12.344 314.795 17.093  309.926 17.844 1214.38 33.238 1204.43 34.984 9.950073       48.25594 
1 1 1 0   14 16 o 299.924 21.599 19.210  2.7250 19.592  3.7089  18.762  4.0170 301.831 29.388 294.749 32.735 7.082214       43.99134 
1 1 1 0   14 17 o 612.028 21.395 79.601  5.5455 78.476  7.5926  80.887  8.1187 606.702 29.551 614.922 31.279 -8.220032      43.03087 
1 1 1 0   14 18 o 1354.63 25.672 390.817 14.727 385.305 20.441  396.767 21.236 1341.30 35.987 1360.73 36.852 -19.43005      51.50863 
1 1 1 0   14 19 o 971.527 23.378 200.944 9.6187 190.017 13.274  213.023 13.957 942.140 33.270 997.621 33.035 -55.48108      46.88557 
1 1 1 0   14 20 o 624.871 30.762 83.524  8.1405 83.524  8.1405  0.0000  0.0000 624.871 30.762 ?       ?      0.000000       30.76213 
1 1 1 0   14 21 o 406.621 22.588 35.321  3.8743 36.771  5.2754  33.622  5.7083 413.483 30.339 394.362 34.527 19.12100       45.96268 
1 1 1 0   14 22 o 754.257 33.419 122.242 10.675 0.0000  0.0000  122.242 10.675 ?       ?      754.257 33.419 0.000000       33.41884 
1 1 1 0   14 23 o 556.252 22.625 66.084  5.3298 66.855  7.3496  65.229  7.7405 556.472 31.315 548.898 33.459 7.574097       45.82697 
1 1 1 0   14 24 o 768.801 23.330 126.578 7.5959 129.152 10.525  123.779 10.973 772.673 32.165 755.332 34.305 17.34113       47.02612 
1 1 1 0   14 25 o 344.974 24.014 25.673  3.4864 29.443  4.7724  21.358  5.1055 367.398 30.962 309.380 39.897 58.01816       50.50120 
1 1 1 0   14 26 o 202.251 21.336 8.8682  1.7999 11.960  3.0008  7.1308  2.2495 232.511 31.268 178.744 30.831 53.76648       43.91164 
1 1 1 0   14 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   14 28 f 188.004 30.145 7.9364  2.3190 5.6224  3.0398  11.158  3.5868 154.503 44.216 219.552 40.052 -65.04854      59.65968 
1 1 1 0   14 29 o 443.877 23.844 43.009  4.4656 0.0000  0.0000  43.009  4.4656 ?       ?      443.877 23.844 0.000000       23.84351 
1 1 1 0   14 30 o 177.232 29.381 7.1303  2.1280 8.1669  2.9640  6.0278  3.0569 185.758 38.924 157.619 44.076 28.13914       58.80280 
1 1 1 0   15 1  o 283.679 9.4452 17.058  1.1347 17.285  1.5935  16.825  1.6162 285.416 13.183 281.572 13.554 3.843689       18.90778 
1 1 1 0   15 2  o 278.672 9.5896 16.462  1.1317 17.307  1.6100  15.637  1.5912 285.588 13.312 271.073 13.907 14.51480       19.25155 
1 1 1 0   15 3  o 433.897 9.9805 39.915  1.8339 40.156  2.5882  39.671  2.5990 434.940 14.051 432.293 14.197 2.646240       19.97455 
1 1 1 0   15 4  f 60.805  16.625 0.8106  0.4404 1.2410  0.6323  0.4051  0.6138 75.008  19.665 52.423  19.959 22.58500       28.01874 
1 1 1 0   15 5  o 231.901 11.003 11.407  1.0806 12.294  1.5366  10.539  1.5200 240.085 15.192 222.090 16.274 17.99434       22.26290 
1 1 1 0   15 6  o 436.515 13.359 40.459  2.4696 36.500  4.1852  42.575  3.0590 412.642 24.054 447.495 16.141 -34.85342      28.96784 
1 1 1 0   15 7  o 650.719 17.915 90.162  4.9368 90.335  6.8461  89.976  7.1256 649.663 24.884 648.063 25.963 1.599487       35.96227 
1 1 1 0   15 8  o 113.549 28.811 2.8785  1.3877 2.8785  1.3877  0.0000  0.0000 113.549 28.811 ?       ?      0.000000       28.81086 
1 1 1 0   15 9  o 331.691 26.886 23.768  3.7441 0.0000  0.0000  23.768  3.7441 ?       ?      331.691 26.886 0.000000       26.88589 
1 1 1 0   15 10 o 274.161 26.516 16.257  3.0402 16.257  3.0402  0.0000  0.0000 274.161 26.516 ?       ?      0.000000       26.51635 
1 1 1 0   15 11 o 433.953 19.014 40.090  3.4943 38.000  4.8045  42.438  5.0915 420.473 27.126 444.432 27.183 -23.95908      38.40195 
1 1 1 0   15 12 o 179.982 33.413 7.1657  2.4530 0.0000  0.0000  7.1657  2.4530 ?       ?      179.982 33.413 0.000000       33.41320 
1 1 1 0   15 13 o 334.083 20.319 23.813  2.8611 22.526  3.8938  25.323  4.2180 323.649 28.707 343.201 29.302 -19.55191      41.02068 
1 1 1 0   15 14 o 599.494 20.374 76.351  5.1726 80.658  7.0845  71.434  7.5699 615.380 27.184 577.799 31.050 37.58093       41.26862 
1 1 1 0   15 15 o 335.822 20.600 24.043  2.9155 23.775  3.9751  24.355  4.2891 332.904 28.470 336.668 30.411 -3.764313      41.65785 
1 1 1 0   15 16 o 469.544 20.589 46.832  4.0941 42.306  5.5717  52.143  6.0359 444.539 29.768 493.854 28.987 -49.31522      41.55021 
1 1 1 0   15 17 o 294.286 21.879 18.510  2.7072 19.164  3.7011  17.758  3.9703 298.324 29.690 286.409 33.358 11.91541       44.65709 
1 1 1 0   15 18 o 393.516 21.465 33.026  3.5636 34.931  4.8816  30.853  5.2142 403.621 28.747 378.451 32.860 25.17014       43.65968 
1 1 1 0   15 19 o 2247.89 33.422 1082.24 31.816 1097.10 44.437  1066.61 45.575 2251.22 46.610 2217.69 48.527 33.53076       67.28572 
1 1 1 0   15 20 o 648.382 30.379 89.926  8.3417 89.926  8.3417  0.0000  0.0000 648.382 30.379 ?       ?      0.000000       30.37941 
1 1 1 0   15 21 o 232.234 38.051 11.901  3.6126 0.0000  0.0000  11.901  3.6126 ?       ?      232.234 38.051 0.000000       38.05063 
1 1 1 0   15 22 o 167.417 29.844 6.1837  2.0384 8.0492  2.7973  4.0717  2.9763 190.244 36.040 138.329 44.635 51.91469       57.36825 
1 1 1 0   15 23 o 599.013 22.508 76.669  5.7096 76.615  7.8537  76.730  8.3153 595.544 31.249 595.265 33.117 0.2783813      45.53258 
1 1 1 0   15 24 f 505.204 22.667 54.653  4.8496 54.420  6.6690  54.915  7.0648 500.565 31.623 502.115 33.415 -1.550659      46.00598 
1 1 1 0   15 25 o 501.640 22.885 53.992  4.8616 53.996  6.6930  53.987  7.0735 497.646 31.927 496.730 33.827 0.9156494      46.51437 
1 1 1 0   15 26 o 304.127 23.674 20.031  3.0250 16.070  4.0209  25.198  4.5919 268.030 36.362 338.207 32.459 -70.17651      48.74220 
1 1 1 0   15 27 o 359.238 24.210 28.059  3.6617 0.0000  0.0000  28.059  3.6617 ?       ?      359.238 24.210 0.000000       24.21044 
1 1 1 0   15 28 o 168.884 30.940 6.4602  2.1313 4.6993  2.8269  8.7794  3.2442 142.187 43.162 193.705 40.835 -51.51743      59.41752 
1 1 1 0   15 29 o 398.173 24.546 34.736  4.1188 0.0000  0.0000  34.736  4.1188 ?       ?      398.173 24.546 0.000000       24.54592 
1 1 1 0   15 30 o 206.680 27.452 9.5757  2.3433 8.4162  3.2029  10.911  3.4375 187.307 41.473 215.191 39.163 -27.88390      57.04132 
1 1 1 0   16 0  o 778.268 15.507 128.453 5.1111 127.095 7.2352  129.806 7.2211 773.526 22.087 781.764 21.811 -8.237244      31.04122 
1 1 1 0   16 1  o 647.715 10.388 88.959  2.8494 85.621  3.9926  92.424  4.0679 634.982 14.847 659.765 14.559 -24.78247      20.79461 
1 1 1 0   16 2  o 290.597 9.6419 17.903  1.1866 17.405  1.6698  18.412  1.6865 286.339 13.770 294.520 13.521 -8.181122      19.29884 
1 1 1 0   16 3  o 114.159 11.495 2.7925  0.5482 3.3178  0.7740  2.2637  0.7765 124.082 15.036 101.560 18.745 22.52207       24.03030 
1 1 1 0   16 4  o 207.390 10.846 9.1478  0.9492 8.3773  1.3022  10.021  1.3866 197.938 15.663 216.655 15.209 -18.71707      21.83219 
1 1 1 0   16 5  o 133.193 13.214 3.8035  0.7355 4.1279  0.9961  3.4147  1.0907 138.220 17.403 124.819 21.404 13.40077       27.58623 
1 1 1 0   16 6  o 372.431 16.198 29.503  2.5547 32.514  3.4811  25.990  3.7609 389.786 21.168 347.438 25.744 42.34802       33.32894 
1 1 1 0   16 7  o 305.834 17.159 19.977  2.2135 21.070  3.0053  18.681  3.2723 313.107 22.822 293.930 26.576 19.17761       35.03067 
1 1 1 0   16 8  o 200.887 30.034 8.8747  2.4767 0.0000  0.0000  8.8747  2.4767 ?       ?      200.887 30.034 0.000000       30.03432 
1 1 1 0   16 9  o 226.507 27.230 11.164  2.5597 11.164  2.5597  0.0000  0.0000 226.507 27.230 ?       ?      0.000000       27.23005 
1 1 1 0   16 10 o 420.599 25.844 38.010  4.5810 38.010  4.5810  0.0000  0.0000 420.599 25.844 ?       ?      0.000000       25.84389 
1 1 1 0   16 11 o 1239.25 33.043 330.098 17.341 0.0000  0.0000  330.098 17.341 ?       ?      1239.25 33.043 0.000000       33.04275 
1 1 1 0   16 12 f 654.330 19.655 91.042  5.4463 91.666  7.5044  90.348  7.9166 655.334 27.040 650.271 28.748 5.062927       39.46656 
1 1 1 0   16 13 o 722.681 20.318 110.992 6.2181 112.238 8.5077  109.564 9.1108 725.591 27.687 716.471 30.027 9.120911       40.84363 
1 1 1 0   16 14 o 406.652 19.773 35.120  3.4052 28.806  4.5943  42.818  5.0726 366.397 29.869 447.654 26.882 -81.25763      40.18427 
1 1 1 0   16 15 o 732.342 20.916 113.930 6.4867 109.412 8.8702  119.124 9.5105 716.578 29.230 747.573 30.040 -30.99567      41.91430 
1 1 1 0   16 16 o 350.724 20.644 26.222  3.0527 26.344  4.1560  26.079  4.4986 350.527 28.236 348.332 30.813 2.195160       41.79433 
1 1 1 0   16 17 o 761.484 21.672 123.277 6.9889 130.374 9.6327  115.389 10.156 781.837 29.093 734.849 32.634 46.98853       43.71911 
1 1 1 0   16 18 o 117.420 30.609 3.0545  1.5376 1.8408  1.9465  5.0689  2.5077 100.521 36.021 150.807 38.981 -50.28671      53.07538 
1 1 1 0   16 19 f 654.711 29.606 91.612  8.2088 91.612  8.2088  0.0000  0.0000 654.711 29.606 ?       ?      0.000000       29.60644 
1 1 1 0   16 20 o 679.208 30.080 98.682  8.6522 98.682  8.6522  0.0000  0.0000 679.208 30.080 ?       ?      0.000000       30.08006 
1 1 1 0   16 21 o 438.136 33.046 41.417  6.0865 0.0000  0.0000  41.417  6.0865 ?       ?      438.136 33.046 0.000000       33.04640 
1 1 1 0   16 22 o 498.421 22.104 52.991  4.6657 50.647  6.3507  55.741  6.8772 484.578 31.111 508.154 32.123 -23.57642      44.71915 
1 1 1 0   16 23 o 299.163 23.667 19.270  2.9740 17.748  3.9911  21.170  4.4596 284.553 33.779 310.906 34.450 -26.35297      48.24736 
1 1 1 0   16 24 o 438.907 22.630 41.378  4.1920 42.298  5.7059  40.300  6.1790 441.159 30.733 429.220 34.280 11.93903       46.03936 
1 1 1 0   16 25 o 180.527 29.248 7.2236  2.1596 8.4238  2.9130  5.7590  3.2179 193.068 36.974 158.510 45.532 34.55807       58.65392 
1 1 1 0   16 26 o 548.265 22.778 64.717  5.2886 65.388  7.2471  63.952  7.7353 546.212 31.463 538.588 34.090 7.623718       46.38987 
1 1 1 0   16 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   16 28 o 90.873  28.845 1.7949  1.2469 6.2780  2.0759  -0.7353 1.5596 166.428 30.581 61.939  27.966 104.4888       41.44008 
1 1 1 0   16 29 o 600.339 24.099 78.714  6.1270 0.0000  0.0000  78.714  6.1270 ?       ?      600.339 24.099 0.000000       24.09943 
1 1 1 0   16 30 o 195.385 28.830 8.6254  2.3138 8.2411  3.1139  9.0992  3.4575 185.536 40.746 193.925 43.207 -8.388367      59.38914 
1 1 1 0   17 1  o 311.321 9.6618 20.550  1.2738 21.005  1.7788  20.071  1.8250 314.555 13.354 307.447 14.017 7.107849       19.35930 
1 1 1 0   17 2  o 240.048 10.079 12.220  1.0246 12.248  1.4028  12.187  1.5001 239.770 13.875 239.057 14.891 0.7128906      20.35357 
1 1 1 0   17 3  o 273.352 10.070 15.846  1.1657 14.613  1.6089  17.209  1.6914 261.876 14.565 284.657 14.031 -22.78088      20.22362 
1 1 1 0   17 4  o 185.910 12.704 7.3716  0.9942 7.4175  1.1717  7.2534  1.8789 186.229 14.983 182.521 24.962 3.708282       29.11325 
1 1 1 0   17 5  o 243.563 13.333 12.638  1.3700 12.012  1.6443  14.059  2.4774 237.045 16.482 255.459 23.151 -18.41414      28.41890 
1 1 1 0   17 6  o 206.208 12.923 9.0674  1.1228 9.6574  1.5691  8.4484  1.6073 212.219 17.618 198.111 19.407 14.10799       26.21142 
1 1 1 0   17 7  o 123.202 23.062 3.3501  1.1590 2.3576  1.4615  5.0324  1.9028 103.850 30.925 150.125 30.957 -46.27534      43.75694 
1 1 1 0   17 8  f 268.320 26.995 15.607  3.0258 0.0000  0.0000  15.607  3.0258 ?       ?      268.320 26.995 0.000000       26.99510 
1 1 1 0   17 9  o 263.306 15.534 14.794  1.7245 15.014  2.8346  14.665  2.1729 263.527 25.728 261.527 19.765 2.000000       32.44364 
1 1 1 0   17 10 f 358.055 27.134 27.601  4.0839 0.0000  0.0000  27.601  4.0839 ?       ?      358.055 27.134 0.000000       27.13446 
1 1 1 0   17 11 o 398.630 27.270 34.112  4.5760 0.0000  0.0000  34.112  4.5760 ?       ?      398.630 27.270 0.000000       27.27045 
1 1 1 0   17 12 o 240.089 20.588 12.346  2.0730 11.605  2.8067  13.237  3.0750 231.318 29.308 247.150 29.994 -15.83174      41.93575 
1 1 1 0   17 13 o 461.189 19.529 45.181  3.8142 43.042  5.2262  47.619  5.5793 448.587 27.645 471.856 28.047 -23.26852      39.38120 
1 1 1 0   17 14 o 1277.90 23.868 347.273 12.917 369.259 17.856  323.139 18.708 1315.46 32.053 1229.36 35.935 86.10400       48.15248 
1 1 1 0   17 15 o 772.698 20.916 126.844 6.8443 119.465 9.3299  135.443 10.071 748.675 29.427 797.099 29.835 -48.42334      41.90530 
1 1 1 0   17 16 o 440.558 20.234 41.235  3.7751 38.340  5.0976  44.750  5.6179 423.167 28.614 457.228 29.165 -34.06052      40.85769 
1 1 1 0   17 17 o 384.566 20.836 31.529  3.3807 30.894  4.5969  32.278  4.9894 379.476 28.820 387.611 30.645 -8.135315      42.06798 
1 1 1 0   17 18 o 591.992 21.080 74.541  5.2849 79.488  7.2203  68.833  7.7564 610.284 27.937 566.229 32.482 44.05505       42.84325 
1 1 1 0   17 19 o 241.678 31.499 12.707  3.1472 12.707  3.1472  0.0000  0.0000 241.678 31.499 ?       ?      0.000000       31.49884 
1 1 1 0   17 20 o 231.621 36.098 11.792  3.4254 0.0000  0.0000  11.792  3.4254 ?       ?      231.621 36.098 0.000000       36.09770 
1 1 1 0   17 21 o 118.172 40.717 2.7623  2.4700 0.0000  0.0000  2.7623  2.4700 ?       ?      118.172 40.717 0.000000       40.71737 
1 1 1 0   17 22 o 41.512  20.324 -2.3371 1.2006 -3.4719 1.4634  -0.0000 2.1000 42.902  21.273 81.074  34.608 -38.17229      40.62313 
1 1 1 0   17 23 o 749.237 22.548 120.095 7.1543 111.172 9.7472  130.518 10.534 717.102 32.096 777.037 32.011 -59.93481      45.33104 
1 1 1 0   17 24 o 512.797 22.351 56.353  4.8538 51.813  6.5333  61.946  7.2512 487.779 31.802 533.310 32.258 -45.53107      45.29820 
1 1 1 0   17 25 o 62.088  26.911 -0.1567 1.3072 -0.4738 1.7207  0.2762  2.0102 68.434  30.233 81.565  34.293 -13.13031      45.71709 
1 1 1 0   17 26 o 413.374 22.858 36.942  3.9860 36.382  5.3838  37.622  5.9296 406.486 31.522 411.967 34.299 -5.481171      46.58392 
1 1 1 0   17 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   17 28 o 341.417 23.642 25.438  3.3973 25.001  4.5710  25.977  5.0780 333.987 32.739 338.616 35.962 -4.628937      48.63178 
1 1 1 0   17 29 o 107.827 30.484 2.6652  1.4540 2.7947  2.2692  2.5750  1.8938 113.276 39.028 107.863 35.653 5.412529       52.86093 
1 1 1 0   17 30 o 549.611 19.066 65.330  4.4377 52.807  7.2262  72.913  5.6229 480.605 35.760 577.902 22.975 -97.29688      42.50446 
1 1 1 0   18 0  o 928.242 16.727 182.853 6.5754 178.730 9.2853  187.001 9.3128 916.650 23.919 937.705 23.451 -21.05426      33.49776 
1 1 1 0   18 1  o 282.610 11.222 16.946  1.3430 16.466  1.6248  17.981  2.3862 278.438 13.779 289.870 19.553 -11.43231      23.92039 
1 1 1 0   18 2  o 90.285  16.934 1.7902  0.6237 1.8539  0.7399  1.6338  1.1591 91.548  19.670 87.920  27.801 3.628235       34.05592 
1 1 1 0   18 3  f 436.757 11.845 40.489  2.1908 38.377  2.6391  45.172  3.9294 424.938 14.665 460.276 20.159 -35.33817      24.92881 
1 1 1 0   18 4  o 210.584 13.072 9.4553  1.1600 9.6299  1.3923  9.0588  2.0976 212.219 15.601 204.253 24.756 7.966537       29.26192 
1 1 1 0   18 5  o 30.409  14.938 -1.3700 0.6658 -1.8082 0.7608  0.0632  1.3759 30.963  15.350 66.522  28.192 -35.55956      32.09975 
1 1 1 0   18 6  o 96.101  25.634 2.0498  1.0625 1.6837  1.3597  2.6238  1.7025 90.727  30.221 109.827 33.531 -19.09998      45.14040 
1 1 1 0   18 7  o 173.848 21.170 6.5490  1.5264 4.1053  2.0828  9.3844  2.2435 135.139 35.817 207.565 26.100 -72.42645      44.31752 
1 1 1 0   18 8  o 409.332 25.057 36.019  4.3227 0.0000  0.0000  36.019  4.3227 ?       ?      409.332 25.057 0.000000       25.05720 
1 1 1 0   18 9  o 283.997 19.370 17.261  2.3157 0.0000  0.0000  17.261  2.3157 ?       ?      283.997 19.370 0.000000       19.36990 
1 1 1 0   18 10 o 187.299 22.205 7.5814  1.7270 0.0000  0.0000  7.5814  1.7270 ?       ?      187.299 22.205 0.000000       22.20528 
1 1 1 0   18 11 o 377.439 18.492 30.281  2.9558 28.063  4.0887  32.709  4.2780 361.610 26.892 390.710 26.004 -29.10068      37.40786 
1 1 1 0   18 12 o 181.515 22.301 7.1125  1.6782 6.1578  2.3413  8.1213  2.4067 166.646 34.318 192.720 30.505 -26.07443      45.91611 
1 1 1 0   18 13 o 319.462 19.683 21.758  2.6499 22.142  3.6656  21.338  3.8352 321.297 27.195 315.074 29.071 6.222931       39.80818 
1 1 1 0   18 14 o 739.049 20.348 116.014 6.3687 119.924 8.7676  111.647 9.2663 750.424 27.589 723.647 30.237 26.77673       40.93182 
1 1 1 0   18 15 o 1404.33 24.831 419.603 14.768 416.513 20.390  423.013 21.417 1396.04 34.488 1406.32 35.961 -10.28699      49.82593 
1 1 1 0   18 16 o 474.603 20.099 47.860  4.0397 45.879  5.4571  50.261  6.0088 463.108 27.956 484.544 29.422 -21.43622      40.58558 
1 1 1 0   18 17 o 513.863 20.499 56.137  4.4608 55.216  6.0164  57.262  6.6479 507.982 28.076 516.856 30.507 -8.874329      41.46010 
1 1 1 0   18 18 o 230.814 30.501 11.584  2.9084 11.584  2.9084  0.0000  0.0000 230.814 30.501 ?       ?      0.000000       30.50147 
1 1 1 0   18 19 o 616.795 28.792 81.318  7.5206 81.318  7.5206  0.0000  0.0000 616.795 28.792 ?       ?      0.000000       28.79186 
1 1 1 0   18 20 o 405.769 32.572 35.526  5.5499 0.0000  0.0000  35.526  5.5499 ?       ?      405.769 32.572 0.000000       32.57170 
1 1 1 0   18 21 o 443.276 21.651 41.879  4.0643 42.347  5.5239  41.327  6.0014 443.550 29.577 437.382 32.635 6.168671       44.04402 
1 1 1 0   18 22 o 272.523 23.378 15.991  2.6719 14.829  3.5626  17.484  4.0396 260.174 33.082 282.446 34.488 -22.27155      47.78953 
1 1 1 0   18 23 o 367.904 22.559 29.082  3.4978 27.618  4.6981  30.903  5.2392 356.040 31.483 376.180 33.229 -20.13965      45.77486 
1 1 1 0   18 24 o 325.129 22.812 22.785  3.1211 21.982  4.2342  23.741  4.6186 316.625 32.018 328.590 33.666 -11.96524      46.45999 
1 1 1 0   18 25 o 306.625 23.286 20.335  3.0012 16.696  3.9570  25.264  4.6050 273.990 34.894 338.800 32.494 -64.80954      47.68131 
1 1 1 0   18 26 o 560.945 30.932 69.184  7.3197 69.184  7.3197  0.0000  0.0000 560.945 30.932 ?       ?      0.000000       30.93241 
1 1 1 0   18 27 o 177.984 36.272 7.3059  2.6412 7.3059  2.6412  0.0000  0.0000 177.984 36.272 ?       ?      0.000000       36.27236 
1 1 1 0   18 28 o 311.157 37.143 22.143  4.7977 0.0000  0.0000  22.143  4.7977 ?       ?      311.157 37.143 0.000000       37.14341 
1 1 1 0   18 29 o 160.610 30.565 5.9205  2.0030 7.4291  2.6393  3.8717  3.0758 177.949 36.254 130.703 45.414 47.24580       58.10976 
1 1 1 0   19 1  o 92.915  23.674 1.9172  0.9342 1.9172  0.9342  0.0000  0.0000 92.915  23.674 ?       ?      0.000000       23.67435 
1 1 1 0   19 2  o 51.070  20.580 0.2472  0.6847 0.2969  0.8817  0.1716  1.0867 57.520  23.293 60.919  25.385 -3.399197      34.45181 
1 1 1 0   19 3  o 447.138 14.278 42.502  2.7037 44.408  3.7959  40.540  3.8518 456.248 19.646 435.720 20.875 20.52798       28.66552 
1 1 1 0   19 4  o 457.167 14.508 44.438  2.8088 42.710  3.9582  46.192  3.9864 447.196 20.901 465.193 20.235 -17.99686      29.09093 
1 1 1 0   19 5  o 111.747 22.647 2.7658  1.0350 3.3452  1.3602  1.9688  1.5952 122.475 26.956 98.000  32.736 24.47538       42.40632 
1 1 1 0   19 6  o 375.759 11.491 29.977  1.8285 30.648  2.5633  29.280  2.6092 379.482 15.950 370.837 16.614 8.644531       23.03102 
1 1 1 0   19 7  o 459.178 16.874 44.885  3.2813 0.0000  0.0000  44.885  3.2813 ?       ?      459.178 16.874 0.000000       16.87424 
1 1 1 0   19 8  o 1025.59 20.036 224.257 8.7020 0.0000  0.0000  224.257 8.7020 ?       ?      1025.59 20.036 0.000000       20.03556 
1 1 1 0   19 9  o 676.010 14.918 97.086  4.2708 99.657  7.3381  95.769  5.2520 682.772 25.378 670.816 18.488 11.95538       31.39818 
1 1 1 0   19 10 o 1012.84 16.728 217.963 7.1750 211.908 12.314  221.075 8.8283 995.188 29.219 1019.18 20.454 -23.99347      35.66676 
1 1 1 0   19 11 o 277.616 16.184 16.418  1.8944 16.530  3.1003  16.351  2.3932 277.144 26.748 276.535 20.583 0.6086426      33.75058 
1 1 1 0   19 12 o 561.366 18.992 66.935  4.5150 66.673  6.2306  67.224  6.5519 559.473 26.297 561.620 27.548 -2.147156      38.08425 
1 1 1 0   19 13 o 548.661 19.381 63.928  4.5032 63.548  6.2274  64.345  6.5197 546.286 26.918 548.851 28.144 -2.565796      38.94461 
1 1 1 0   19 14 f 1118.68 22.374 266.012 10.600 273.164 14.663  258.183 15.341 1131.72 30.595 1099.62 32.942 32.10095       44.95810 
1 1 1 0   19 15 o 221.606 21.743 10.538  2.0143 8.4443  2.7449  12.981  2.9651 195.967 34.326 245.058 29.142 -49.09052      45.02846 
1 1 1 0   19 16 o 172.603 24.379 6.4655  1.7324 7.4287  2.3565  5.3327  2.5556 183.988 31.368 154.667 39.019 29.32132       50.06472 
1 1 1 0   19 17 o 567.946 20.473 68.591  4.9242 65.983  6.6650  71.727  7.3069 555.241 28.440 578.642 29.921 -23.40118      41.28076 
1 1 1 0   19 18 o 1534.08 36.633 505.732 23.800 505.732 23.800  0.0000  0.0000 1534.08 36.633 ?       ?      0.000000       36.63350 
1 1 1 0   19 19 o 1129.19 34.699 273.803 16.593 0.0000  0.0000  273.803 16.593 ?       ?      1129.19 34.699 0.000000       34.69890 
1 1 1 0   19 20 o 338.568 32.850 24.823  4.6507 0.0000  0.0000  24.823  4.6507 ?       ?      338.568 32.850 0.000000       32.84975 
1 1 1 0   19 21 o 410.672 21.745 36.066  3.7684 43.397  5.1455  27.585  5.5343 449.409 27.164 355.370 37.332 94.03937       46.16826 
1 1 1 0   19 22 o 146.155 30.492 4.7685  1.8262 4.4757  2.4797  5.1156  2.6997 141.264 39.766 150.557 41.162 -9.292770      57.23309 
1 1 1 0   19 23 o 303.802 23.193 19.896  2.9614 22.261  4.0550  17.194  4.3353 319.518 30.331 278.126 37.785 41.39206       48.45279 
1 1 1 0   19 24 o 283.957 23.316 17.431  2.7791 15.906  3.7350  19.323  4.1597 268.178 33.626 295.885 33.803 -27.70740      47.67989 
1 1 1 0   19 25 o 254.531 24.119 14.086  2.5689 12.429  3.4210  16.228  3.8898 235.396 35.414 269.775 34.863 -34.37869      49.69479 
1 1 1 0   19 26 o 911.442 32.613 183.320 12.588 183.320 12.588  0.0000  0.0000 911.442 32.613 ?       ?      0.000000       32.61296 
1 1 1 0   19 27 o 60.577  27.718 -0.9974 1.5966 -0.9974 1.5966  0.0000  0.0000 60.577  27.718 ?       ?      0.000000       27.71788 
1 1 1 0   19 28 o 234.209 40.181 12.865  3.8418 0.0000  0.0000  12.865  3.8418 ?       ?      234.209 40.181 0.000000       40.18075 
1 1 1 0   19 29 o 89.094  32.410 1.5375  1.5833 0.2691  1.9620  3.9052  2.6807 79.115  33.604 129.499 42.400 -50.38338      54.10110 
1 1 1 0   20 0  o 1852.66 35.997 736.135 28.243 0.0000  0.0000  736.135 28.243 ?       ?      1852.66 35.997 0.000000       35.99736 
1 1 1 0   20 1  o 426.920 14.204 38.748  2.5681 0.0000  0.0000  38.748  2.5681 ?       ?      426.920 14.204 0.000000       14.20436 
1 1 1 0   20 2  o 238.524 14.987 12.148  1.5062 0.0000  0.0000  12.148  1.5062 ?       ?      238.524 14.987 0.000000       14.98678 
1 1 1 0   20 3  o 586.022 15.339 73.064  3.8068 0.0000  0.0000  73.064  3.8068 ?       ?      586.022 15.339 0.000000       15.33906 
1 1 1 0   20 4  o 484.569 12.427 49.877  2.5501 53.331  4.4952  48.238  3.0965 499.555 21.248 476.145 15.357 23.40988       26.21659 
1 1 1 0   20 5  o 181.570 15.493 7.0648  1.1799 4.4327  2.2123  8.1111  1.3948 140.245 36.790 194.408 17.117 -54.16223      40.57719 
1 1 1 0   20 6  o 342.900 13.828 24.988  2.0080 20.949  3.6079  26.801  2.4169 311.097 27.674 354.889 16.082 -43.79276      32.00739 
1 1 1 0   20 7  o 591.012 12.023 74.151  3.0092 73.584  4.2553  74.718  4.2561 587.983 17.089 592.520 16.962 -4.536865      24.07767 
1 1 1 0   20 8  o 81.484  28.656 1.2551  1.2264 0.0000  0.0000  1.2551  1.2264 ?       ?      81.484  28.656 0.000000       28.65600 
1 1 1 0   20 9  o 513.433 14.635 55.976  3.1821 67.117  5.4180  50.110  3.9317 561.086 22.802 485.301 19.130 75.78494       29.76377 
1 1 1 0   20 10 o 943.544 16.282 189.061 6.5059 182.543 11.073  192.497 8.0401 924.434 28.284 951.387 19.955 -26.95313      34.61511 
1 1 1 0   20 11 o 531.212 15.286 59.881  3.4387 63.279  5.7952  58.034  4.2721 545.081 25.105 522.621 19.302 22.46021       31.66764 
1 1 1 0   20 12 o 222.927 20.826 10.651  1.9433 10.870  2.6814  10.410  2.8204 223.983 28.946 218.684 31.351 5.298706       42.67020 
1 1 1 0   20 13 o 412.204 19.227 36.081  3.3563 37.159  4.6785  34.938  4.8177 416.935 26.636 403.972 28.340 12.96292       38.89261 
1 1 1 0   20 14 o 498.137 19.644 52.704  4.1441 54.356  5.7024  50.856  6.0326 504.518 26.785 487.536 29.355 16.98209       39.73909 
1 1 1 0   20 15 o 606.417 19.923 78.135  5.1165 83.925  7.0299  71.613  7.4609 627.667 26.447 578.433 30.566 49.23419       40.41935 
1 1 1 0   20 16 o 481.595 20.018 49.300  4.0827 50.067  5.6247  48.446  5.9355 483.726 27.571 475.422 29.628 8.303986       40.47201 
1 1 1 0   20 17 o 409.473 28.102 35.966  4.8436 35.966  4.8436  0.0000  0.0000 409.473 28.102 ?       ?      0.000000       28.10182 
1 1 1 0   20 18 o 548.971 20.692 64.129  4.8104 62.786  6.5624  65.689  7.0721 541.216 28.735 553.250 30.300 -12.03418      41.75847 
1 1 1 0   20 19 o 1382.61 37.105 411.517 21.726 0.0000  0.0000  411.517 21.726 ?       ?      1382.61 37.105 0.000000       37.10482 
1 1 1 0   20 20 o 258.589 23.106 14.371  2.5037 10.569  3.3706  19.051  3.7395 218.379 37.816 296.669 30.185 -78.28990      48.38592 
1 1 1 0   20 21 o 189.710 25.398 7.8344  1.9893 10.924  2.6676  3.9635  2.9857 223.838 28.810 136.726 44.746 87.11211       53.21830 
1 1 1 0   20 22 o 347.051 22.027 25.859  3.2205 19.869  4.1924  34.483  5.0302 301.150 33.438 398.791 30.005 -97.64041      44.92630 
1 1 1 0   20 23 o 449.003 21.796 43.187  4.1445 40.844  5.5330  46.181  6.2555 433.333 30.342 460.100 32.309 -26.76724      44.32325 
1 1 1 0   20 24 o 207.067 25.816 9.3820  2.2147 9.9507  2.9358  8.6310  3.3737 210.993 34.012 193.691 42.313 17.30214       54.28806 
1 1 1 0   20 25 o 172.227 27.277 6.5838  1.9232 7.1213  2.5812  5.9131  2.8835 176.745 35.714 159.502 42.079 17.24321       55.19199 
1 1 1 0   20 26 o 239.044 33.653 12.883  3.3125 12.883  3.3125  0.0000  0.0000 239.044 33.653 ?       ?      0.000000       33.65282 
1 1 1 0   20 27 f 172.688 28.892 6.7136  2.0382 4.2109  2.6932  10.069  3.1184 135.058 42.331 209.183 36.530 -74.12489      55.91402 
1 1 1 0   20 28 o 211.369 43.469 10.745  3.7611 0.0000  0.0000  10.745  3.7611 ?       ?      211.369 43.469 0.000000       43.46852 
1 1 1 0   20 29 o 222.397 27.326 11.090  2.5195 13.858  3.4331  7.8587  3.7091 245.514 33.925 177.206 48.164 68.30824       58.91280 
1 1 1 0   21 1  o 491.619 11.919 51.328  2.4815 49.136  4.3512  52.384  3.0209 479.434 21.431 496.321 14.372 -16.88635      25.80366 
1 1 1 0   21 2  o 602.095 12.451 77.010  3.1749 79.886  5.5720  75.628  3.8634 611.272 21.524 596.177 15.302 15.09589       26.40934 
1 1 1 0   21 3  o 199.738 14.590 8.5294  1.2256 9.7955  2.1459  7.9165  1.4931 212.464 24.286 191.790 18.617 20.67473       30.60109 
1 1 1 0   21 4  o 331.252 10.891 23.289  1.5278 23.394  2.1250  23.178  2.1980 331.631 15.131 330.033 15.727 1.598846       21.82334 
1 1 1 0   21 5  o 104.699 18.391 2.4038  0.7857 1.8020  1.1231  2.9804  1.0995 91.027  27.111 116.038 23.184 -25.01158      35.67234 
1 1 1 0   21 6  o 88.613  21.480 1.7430  0.7977 0.7510  1.1729  2.5967  1.0881 71.793  27.529 108.068 24.358 -36.27551      36.75836 
1 1 1 0   21 7  o 1002.54 13.582 213.448 5.7664 207.330 8.1058  219.717 8.2050 986.573 19.401 1015.72 19.075 -29.14398      27.20742 
1 1 1 0   21 8  o 660.986 17.776 92.914  4.9758 0.0000  0.0000  92.914  4.9758 ?       ?      660.986 17.776 0.000000       17.77562 
1 1 1 0   21 9  o 106.270 24.958 2.5049  1.1041 1.0258  1.8196  3.3667  1.3890 87.602  34.099 123.179 27.340 -35.57688      43.70582 
1 1 1 0   21 10 o 145.811 20.463 4.6079  1.2288 4.5881  2.0526  4.6190  1.5340 143.535 34.246 145.069 25.921 -1.533966      42.94965 
1 1 1 0   21 11 o 235.156 16.657 11.796  1.6481 12.051  2.6172  11.628  2.1216 236.376 26.608 232.858 21.767 3.518661       34.37701 
1 1 1 0   21 12 o 245.354 17.661 12.844  1.8228 12.331  2.8320  13.207  2.3818 238.877 28.561 248.182 22.921 -9.304596      36.62087 
1 1 1 0   21 13 o 745.630 19.737 118.089 6.2324 116.234 8.6061  120.134 9.0376 738.672 27.511 750.812 28.424 -12.13953      39.55719 
1 1 1 0   21 14 o 1268.65 23.278 342.355 12.506 351.767 17.419  332.341 17.966 1283.36 32.050 1246.74 34.028 36.61951       46.74577 
1 1 1 0   21 15 o 661.311 20.001 92.944  5.6014 89.355  7.7106  96.954  8.1507 647.257 28.130 674.147 28.550 -26.88977      40.07947 
1 1 1 0   21 16 o 631.221 27.782 85.035  7.4266 85.035  7.4266  0.0000  0.0000 631.221 27.782 ?       ?      0.000000       27.78210 
1 1 1 0   21 17 o 632.866 28.164 85.563  7.5482 85.563  7.5482  0.0000  0.0000 632.866 28.164 ?       ?      0.000000       28.16366 
1 1 1 0   21 18 o 667.143 31.037 95.331  8.7689 0.0000  0.0000  95.331  8.7689 ?       ?      667.143 31.037 0.000000       31.03721 
1 1 1 0   21 19 o 248.958 23.257 13.326  2.4236 17.115  3.3054  8.9205  3.5642 281.550 28.097 199.196 43.472 82.35425       51.76132 
1 1 1 0   21 20 o 650.334 21.132 90.136  5.8199 85.858  7.8176  95.454  8.7167 632.869 29.169 666.811 30.868 -33.94263      42.46923 
1 1 1 0   21 21 o 145.358 27.709 4.6822  1.6434 3.6173  2.1122  6.3158  2.6162 127.698 36.950 167.365 37.804 -39.66664      52.86251 
1 1 1 0   21 22 o 103.275 31.837 2.3115  1.5305 0.4000  1.9780  5.1634  2.4161 82.532  34.307 150.884 37.871 -68.35210      51.09956 
1 1 1 0   21 23 o 356.813 22.103 27.401  3.3235 24.680  4.4295  30.907  5.0273 335.726 31.524 375.874 31.883 -40.14746      44.83632 
1 1 1 0   21 24 o 186.395 26.634 7.6524  2.0426 4.5801  2.6854  11.870  3.1465 141.939 41.834 230.931 33.122 -88.99171      53.35913 
1 1 1 0   21 25 o 97.992  31.359 2.0752  1.4715 -0.4536 1.9553  5.3781  2.2345 73.195  32.287 153.062 35.206 -79.86683      47.76989 
1 1 1 0   21 26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   21 27 o 420.801 34.117 39.846  6.0274 0.0000  0.0000  39.846  6.0274 ?       ?      420.801 34.117 0.000000       34.11670 
1 1 1 0   21 28 o 77.782  30.448 0.8907  1.4571 0.0000  1.8799  2.2308  2.3060 75.025  32.395 105.986 39.028 -30.96046      50.72146 
1 1 1 0   21 29 o 442.807 23.474 43.052  4.3863 38.441  5.8866  48.808  6.5769 410.276 34.191 462.948 33.780 -52.67221      48.06344 
1 1 1 0   22 0  o 201.504 18.562 8.7003  1.5661 7.6849  2.2226  9.7018  2.2072 187.581 28.907 211.923 25.080 -24.34166      38.27058 
1 1 1 0   22 1  f 281.606 10.416 16.829  1.2422 16.627  1.7688  17.025  1.7450 279.182 15.016 282.570 14.632 -3.388306      20.96583 
1 1 1 0   22 2  o 656.372 10.935 91.443  3.0396 93.201  4.3094  89.703  4.2879 661.878 15.374 649.294 15.594 12.58459       21.89850 
1 1 1 0   22 3  o 113.499 18.220 2.8132  0.8461 3.9291  1.2176  1.7709  1.1767 133.835 22.265 90.739  27.906 43.09576       35.69927 
1 1 1 0   22 4  o 119.624 16.793 3.1049  0.8273 2.6341  1.1273  3.6544  1.2179 108.761 24.998 128.807 23.179 -20.04636      34.09056 
1 1 1 0   22 5  o 85.533  21.867 1.6216  0.7951 2.4202  1.1412  0.8681  1.1084 104.270 25.948 72.572  26.995 31.69785       37.44304 
1 1 1 0   22 6  o 460.402 11.482 44.978  2.2386 45.594  3.1751  44.368  3.1568 463.068 16.191 456.786 16.319 6.281799       22.98791 
1 1 1 0   22 7  o 367.929 13.908 28.742  2.1670 28.341  2.6619  29.530  3.7314 365.090 17.217 371.220 23.862 -6.129730      29.42479 
1 1 1 0   22 8  o 98.631  24.269 2.1567  1.0068 1.3660  1.5865  2.6897  1.3027 88.680  32.415 110.081 27.906 -21.40061      42.77234 
1 1 1 0   22 9  o 247.814 16.106 13.093  1.6811 11.732  2.7549  13.901  2.1219 232.700 28.555 254.943 19.809 -22.24316      34.75293 
1 1 1 0   22 10 o 1024.07 16.517 222.613 7.1631 221.996 12.213  222.936 8.8442 1020.22 28.266 1024.15 20.392 -3.932800      34.85408 
1 1 1 0   22 11 o 994.775 16.670 210.020 7.0226 203.610 12.003  213.355 8.6593 977.211 29.005 1002.07 20.405 -24.86145      35.46316 
1 1 1 0   22 12 o 273.695 19.646 15.992  2.2620 14.903  3.1470  17.155  3.2535 262.898 28.734 282.463 27.549 -19.56528      39.80698 
1 1 1 0   22 13 o 651.156 15.893 89.969  4.3826 89.997  7.2834  89.953  5.4872 650.059 26.457 650.711 19.912 -0.6525269     33.11265 
1 1 1 0   22 14 o 594.389 19.330 75.059  4.8657 72.720  6.6723  77.715  7.1109 584.137 26.972 603.745 27.812 -19.60742      38.74257 
1 1 1 0   22 15 o 449.125 19.760 42.876  3.7584 44.925  5.1680  40.577  5.4756 458.235 26.747 434.838 29.917 23.39688       40.13029 
1 1 1 0   22 16 o 279.714 30.120 16.918  3.5116 16.918  3.5116  0.0000  0.0000 279.714 30.120 ?       ?      0.000000       30.11986 
1 1 1 0   22 17 o 323.503 30.410 22.592  4.1173 0.0000  0.0000  22.592  4.1173 ?       ?      323.503 30.410 0.000000       30.41006 
1 1 1 0   22 18 o 30.274  15.279 -3.0531 0.9267 0.0000  0.0000  -3.0531 0.9267 ?       ?      30.274  15.279 0.000000       15.27911 
1 1 1 0   22 19 o 427.635 20.924 38.949  3.7893 37.813  5.1524  40.287  5.5924 419.219 29.204 432.418 30.739 -13.19907      42.40013 
1 1 1 0   22 20 o 864.808 21.987 159.588 8.0525 152.910 10.918  167.553 11.924 843.505 30.565 882.387 31.909 -38.88165      44.18614 
1 1 1 0   22 21 o 649.350 21.353 90.096  5.8719 92.438  7.9625  87.303  8.6939 655.362 28.689 634.697 32.453 20.66486       43.31632 
1 1 1 0   22 22 o 494.792 21.091 52.392  4.4193 47.030  5.9154  59.165  6.6483 465.313 30.182 522.108 30.197 -56.79495      42.69444 
1 1 1 0   22 23 o 257.134 23.043 14.313  2.4826 15.384  3.3142  12.943  3.7475 264.693 30.101 239.871 38.169 24.82181       48.61038 
1 1 1 0   22 24 o 425.746 21.596 39.048  3.8810 37.591  5.1905  40.896  5.8446 414.535 29.765 431.286 32.233 -16.75116      43.87368 
1 1 1 0   22 25 o 81.976  32.325 0.9059  1.6531 0.9059  1.6531  0.0000  0.0000 81.976  32.325 ?       ?      0.000000       32.32512 
1 1 1 0   22 26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   22 27 o 255.474 38.188 15.126  4.0048 0.0000  0.0000  15.126  4.0048 ?       ?      255.474 38.188 0.000000       38.18810 
1 1 1 0   22 28 o 73.831  29.995 0.5944  1.4673 0.0000  2.0042  1.2808  2.1539 77.191  33.389 92.795  36.801 -15.60459      49.69059 
1 1 1 0   22 29 o 169.652 31.629 6.6500  2.1888 6.3602  2.9954  6.9821  3.2064 161.173 43.064 168.319 44.357 -7.145966      61.82327 
1 1 1 0   23 1  o 602.484 10.701 77.030  2.7303 74.488  3.8582  79.579  3.8644 591.768 15.395 611.741 14.917 -19.97314      21.43646 
1 1 1 0   23 2  o 165.795 13.335 5.8772  0.9283 4.2353  1.3846  7.2181  1.2513 138.669 24.472 183.467 16.274 -44.79767      29.38848 
1 1 1 0   23 3  o 235.375 12.311 11.795  1.2229 12.831  1.7132  10.718  1.7461 245.006 16.610 223.535 18.614 21.47070       24.94710 
1 1 1 0   23 4  o 285.008 11.325 17.237  1.3670 16.065  1.8785  18.556  1.9930 274.362 16.240 294.968 16.014 -20.60645      22.80762 
1 1 1 0   23 5  o 411.556 11.138 35.935  1.9412 35.126  2.7313  36.760  2.7595 406.497 15.866 415.860 15.669 -9.363220      22.29907 
1 1 1 0   23 6  o 320.921 11.890 21.850  1.6159 22.515  2.3009  21.203  2.2699 325.024 16.773 315.349 17.061 9.675354       23.92497 
1 1 1 0   23 7  o 568.078 13.604 68.488  3.2729 63.803  4.0265  77.611  5.6187 547.915 17.353 603.631 21.980 -55.71667      28.00428 
1 1 1 0   23 8  o 1171.31 16.741 291.379 8.3041 275.682 13.955  299.984 10.333 1135.92 29.010 1187.58 20.545 -51.65625      35.54781 
1 1 1 0   23 9  o 399.748 14.321 33.902  2.4244 36.626  4.0071  32.329  3.0450 414.247 22.931 390.117 18.431 24.13028       29.41985 
1 1 1 0   23 10 o 853.864 15.604 154.701 5.6423 152.639 9.4524  155.842 7.0327 846.527 26.367 856.525 19.388 -9.997620      32.72777 
1 1 1 0   23 11 o 212.650 21.269 9.7055  1.8897 10.457  2.6498  8.9278  2.6956 219.570 29.222 201.961 32.630 17.60905       43.80235 
1 1 1 0   23 12 o 171.435 19.930 6.3272  1.4199 5.7198  2.1272  6.8154  1.9069 160.840 32.351 177.017 26.232 -16.17636      41.64959 
1 1 1 0   23 13 o 658.787 15.911 92.102  4.4389 88.362  7.3563  94.244  5.5665 643.930 26.976 666.005 19.736 -22.07520      33.42467 
1 1 1 0   23 14 f 206.667 19.885 9.1610  1.7189 9.1645  2.6598  9.1586  2.2525 204.725 31.703 205.623 26.483 -0.8974457     41.30882 
1 1 1 0   23 15 o 128.659 38.110 3.6117  2.2239 3.6117  2.2239  0.0000  0.0000 128.659 38.110 ?       ?      0.000000       38.11003 
1 1 1 0   23 16 o 383.733 20.070 31.409  3.2502 29.337  4.4923  33.685  4.7081 369.336 28.953 396.055 28.256 -26.71884      40.45588 
1 1 1 0   23 17 o 386.254 29.819 32.120  4.8399 0.0000  0.0000  32.120  4.8399 ?       ?      386.254 29.819 0.000000       29.81911 
1 1 1 0   23 18 f 97.541  31.587 1.9796  1.4896 3.1567  2.2188  1.0136  2.0099 121.706 38.461 90.492  35.656 31.21395       52.44603 
1 1 1 0   23 19 o 567.937 20.840 68.727  5.0124 72.082  6.8272  64.803  7.3824 580.234 27.784 548.305 31.931 31.92914       42.32687 
1 1 1 0   23 20 o 816.849 29.770 143.505 10.298 143.505 10.298  0.0000  0.0000 816.849 29.770 ?       ?      0.000000       29.76956 
1 1 1 0   23 21 o 249.584 23.787 13.469  2.4838 13.179  3.3677  13.816  3.6780 244.425 33.409 249.646 35.815 -5.220917      48.97844 
1 1 1 0   23 22 o 367.135 21.734 28.985  3.3641 26.929  4.6120  31.323  4.9177 350.909 31.366 378.808 30.924 -27.89917      44.04701 
1 1 1 0   23 23 o 230.796 23.630 11.576  2.2771 11.502  3.0385  11.670  3.4391 227.535 32.453 227.724 36.925 -0.1886902     49.15955 
1 1 1 0   23 24 o 683.373 21.880 100.529 6.3323 93.209  8.4981  109.667 9.4949 652.845 30.737 707.432 31.693 -54.58704      44.15014 
1 1 1 0   23 25 o 158.873 36.459 5.8542  2.4010 5.8542  2.4010  0.0000  0.0000 158.873 36.459 ?       ?      0.000000       36.45903 
1 1 1 0   23 26 o 1037.23 36.273 242.104 15.933 0.0000  0.0000  242.104 15.933 ?       ?      1037.23 36.273 0.000000       36.27309 
1 1 1 0   23 27 o 313.651 23.146 21.571  3.0527 23.383  4.0739  19.251  4.6098 322.879 30.143 287.505 38.857 35.37354       49.17764 
1 1 1 0   23 28 o 160.546 31.554 5.9714  2.0688 5.5541  2.8279  6.4518  3.0345 150.933 42.459 162.131 43.355 -11.19803      60.68289 
1 1 1 0   24 0  o 219.811 18.536 10.333  1.7093 9.6056  2.3739  11.117  2.4633 210.602 27.256 227.001 26.099 -16.39928      37.73658 
1 1 1 0   24 1  o 213.693 12.402 9.7269  1.1175 8.8274  1.5335  10.746  1.6320 202.832 18.041 224.042 17.336 -21.20978      25.02011 
1 1 1 0   24 2  o 462.530 10.550 45.383  2.0664 46.040  2.9333  44.735  2.9115 465.447 14.882 458.790 14.985 6.656860       21.11910 
1 1 1 0   24 3  o 68.035  23.342 0.9026  0.8113 1.5200  1.2132  0.4031  1.0913 86.247  28.537 64.524  25.989 21.72235       38.59787 
1 1 1 0   24 4  o 465.213 11.065 45.909  2.1799 46.011  3.0730  45.806  3.0928 465.319 15.594 464.262 15.730 1.056519       22.15011 
1 1 1 0   24 5  o 454.329 11.143 43.780  2.1439 44.666  3.0368  42.901  3.0272 458.531 15.639 449.354 15.908 9.177032       22.30756 
1 1 1 0   24 6  o 233.801 12.758 11.632  1.2584 11.831  1.7983  11.441  1.7615 235.207 18.196 231.283 18.130 3.924011       25.68591 
1 1 1 0   24 7  o 782.719 14.284 130.011 4.7347 131.686 5.8655  126.879 8.0215 787.299 17.592 771.577 24.549 15.72144       30.20171 
1 1 1 0   24 8  o 446.337 12.294 42.245  2.3239 42.393  3.2743  42.095  3.2987 446.797 17.305 445.213 17.496 1.584412       24.60806 
1 1 1 0   24 9  o 500.653 17.175 53.212  3.6415 48.604  4.9193  58.799  5.4163 477.238 24.422 525.591 24.334 -48.35367      34.47575 
1 1 1 0   24 10 o 695.349 18.349 102.670 5.4033 107.112 7.3882  97.562  7.9227 709.437 24.591 676.622 27.649 32.81555       37.00286 
1 1 1 0   24 11 o 1036.30 20.310 228.181 8.9134 221.180 12.452  235.537 12.765 1018.49 28.870 1051.07 28.677 -32.58557      40.69208 
1 1 1 0   24 12 o 341.440 16.220 24.742  2.3454 26.621  3.9716  23.736  2.9063 352.470 26.808 333.552 20.676 18.91849       33.85543 
1 1 1 0   24 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   24 14 o 312.426 21.237 20.859  2.7931 21.216  3.5363  20.267  4.5543 314.257 26.829 305.336 35.906 8.920288       44.82240 
1 1 1 0   24 15 o 155.323 24.970 5.2713  1.5868 6.9814  2.4003  3.9436  2.1149 177.714 33.111 133.338 36.423 44.37646       49.22373 
1 1 1 0   24 16 o 913.987 30.982 178.954 11.992 0.0000  0.0000  178.954 11.992 ?       ?      913.987 30.982 0.000000       30.98220 
1 1 1 0   24 17 o 694.599 20.477 102.706 6.0236 104.561 8.2831  100.624 8.7754 699.237 27.972 685.375 30.234 13.86200       41.18900 
1 1 1 0   24 18 o 327.396 21.018 22.925  2.8988 23.956  3.9738  21.753  4.2380 333.360 28.419 316.763 32.032 16.59741       42.82203 
1 1 1 0   24 19 o 382.079 21.253 31.228  3.4253 29.419  4.6864  33.303  5.0189 368.875 30.266 392.572 30.426 -23.69675      42.91621 
1 1 1 0   24 20 o 496.575 20.966 52.666  4.4091 53.689  5.9763  51.443  6.5313 498.822 28.408 487.081 31.838 11.74106       42.66976 
1 1 1 0   24 21 o 142.839 29.905 4.5695  1.7510 3.4145  2.3606  5.9822  2.6108 125.242 39.681 162.125 38.584 -36.88343      55.34684 
1 1 1 0   24 22 o 231.240 23.497 11.607  2.2691 9.4536  3.0445  14.297  3.4033 204.842 36.431 254.366 32.323 -49.52431      48.70328 
1 1 1 0   24 23 o 569.543 21.455 69.671  5.1748 68.247  7.0056  71.380  7.6769 559.374 29.679 570.830 31.884 -11.45575      43.55970 
1 1 1 0   24 24 o 380.393 29.221 31.809  4.6713 31.809  4.6713  0.0000  0.0000 380.393 29.221 ?       ?      0.000000       29.22066 
1 1 1 0   24 25 f 243.158 23.544 12.947  2.3941 13.860  3.1579  11.714  3.6713 248.938 30.599 224.379 40.108 24.55910       50.44706 
1 1 1 0   24 26 o 75.573  35.155 -2.0878 2.7257 0.0000  0.0000  -2.0878 2.7257 ?       ?      75.573  35.155 0.000000       35.15500 
1 1 1 0   24 27 o 224.618 25.899 11.246  2.4185 12.593  3.0728  9.0530  3.9204 235.086 31.671 190.135 48.526 44.95071       57.94662 
1 1 1 0   24 28 o 228.069 26.043 11.630  2.4703 9.3017  3.2973  14.608  3.7295 196.236 40.998 250.204 36.254 -53.96799      54.72864 
1 1 1 0   25 1  o 262.729 11.531 14.645  1.2830 14.134  1.7962  15.176  1.8331 257.313 16.572 266.704 16.308 -9.391235      23.25026 
1 1 1 0   25 2  o 300.327 11.298 19.133  1.4369 16.854  2.0788  21.219  1.9883 280.967 17.559 316.062 14.855 -35.09509      23.00000 
1 1 1 0   25 3  o 405.805 10.970 34.927  1.8853 33.640  2.7535  36.062  2.5867 397.866 16.342 412.072 14.823 -14.20599      22.06295 
1 1 1 0   25 4  o 1174.69 15.876 293.121 7.8980 305.510 13.478  286.641 9.7470 1195.81 26.614 1160.59 19.831 35.21179       33.18984 
1 1 1 0   25 5  o 414.973 11.339 36.518  1.9926 37.174  2.7543  35.797  2.8863 418.410 15.544 410.504 16.603 7.906128       22.74358 
1 1 1 0   25 6  o 117.925 19.831 3.0370  0.9552 5.3982  1.3837  0.8871  1.3203 157.892 21.232 76.990  29.283 80.90202       36.16996 
1 1 1 0   25 7  o 460.830 17.144 45.096  3.3458 45.691  5.0321  44.624  4.4794 462.319 25.805 457.293 23.206 5.026215       34.70465 
1 1 1 0   25 8  o 241.326 15.950 12.414  1.6209 12.666  2.0057  11.939  2.7521 243.368 19.628 234.965 28.223 8.403198       34.37688 
1 1 1 0   25 9  o 109.985 27.588 2.6787  1.2828 3.4524  1.7914  1.8645  1.8378 124.923 33.267 99.615  35.074 25.30824       48.34163 
1 1 1 0   25 10 o 193.053 18.309 7.9847  1.4790 8.3984  2.4299  7.7412  1.8640 196.166 30.220 189.284 23.778 6.881363       38.45293 
1 1 1 0   25 11 o 677.169 14.998 97.288  4.3011 93.593  7.1640  99.372  5.3783 662.949 25.517 684.022 18.567 -21.07318      31.55685 
1 1 1 0   25 12 o 328.331 21.113 23.015  2.9201 24.317  3.7995  21.135  4.5643 336.700 26.870 312.247 35.127 24.45319       44.22576 
1 1 1 0   25 13 o 253.947 28.402 13.934  3.0022 13.934  3.0022  0.0000  0.0000 253.947 28.402 ?       ?      0.000000       28.40249 
1 1 1 0   25 14 o 1677.02 21.620 598.606 15.354 583.735 26.099  606.477 18.988 1647.58 37.406 1685.77 26.598 -38.18652      45.89780 
1 1 1 0   25 15 f 597.491 21.258 76.002  5.3790 0.0000  0.0000  76.002  5.3790 ?       ?      597.491 21.258 0.000000       21.25811 
1 1 1 0   25 16 o 465.141 19.659 46.038  3.8724 45.785  5.2936  46.330  5.6795 462.053 27.173 464.391 29.024 -2.338196      39.75899 
1 1 1 0   25 17 o 550.749 20.026 64.570  4.6709 59.703  6.3593  70.272  6.8830 527.387 28.580 573.025 28.363 -45.63800      40.26530 
1 1 1 0   25 18 o 500.341 20.307 53.330  4.3028 55.734  5.9475  50.689  6.2327 509.457 27.670 485.051 30.497 24.40637       41.17929 
1 1 1 0   25 19 o 266.633 22.601 15.296  2.5280 19.002  3.5489  11.479  3.6018 296.087 28.662 226.853 38.891 69.23343       48.31203 
1 1 1 0   25 20 o 119.812 32.595 3.2121  1.6978 4.7877  2.3922  1.6128  2.4100 145.434 38.308 102.670 39.440 42.76423       54.98200 
1 1 1 0   25 21 o 329.048 21.780 23.304  3.0179 19.248  4.0726  28.244  4.4944 295.671 33.093 359.992 29.747 -64.32150      44.49722 
1 1 1 0   25 22 o 703.880 21.523 106.331 6.4158 103.369 8.6655  109.924 9.5447 689.872 29.661 710.118 31.739 -20.24634      43.44075 
1 1 1 0   25 23 o 514.692 21.187 56.947  4.6180 50.827  6.1473  64.876  6.9964 481.631 30.293 544.237 30.479 -62.60553      42.97246 
1 1 1 0   25 24 o 120.384 39.480 3.2017  2.3239 3.2017  2.3239  0.0000  0.0000 120.384 39.480 ?       ?      0.000000       39.48042 
1 1 1 0   25 25 o 140.030 41.583 4.5971  2.6452 0.0000  0.0000  4.5971  2.6452 ?       ?      140.030 41.583 0.000000       41.58314 
1 1 1 0   25 26 o 94.035  33.854 1.7483  1.7213 0.2303  2.0256  5.6924  3.2652 80.077  34.081 153.325 46.353 -73.24784      57.53328 
1 1 1 0   25 27 o 126.381 34.507 3.7636  1.8988 3.6069  2.3458  4.0613  3.2335 124.155 39.580 132.646 46.537 -8.491791      61.09202 
1 1 1 0   25 28 o 150.445 34.304 5.3454  2.1371 3.9946  2.5997  8.1610  3.7531 129.737 41.699 179.472 48.311 -49.73503      63.81825 
1 1 1 0   26 0  o 207.305 19.921 9.2065  1.7274 11.749  2.4243  6.5841  2.4620 233.790 24.867 172.619 34.879 61.17078       42.83562 
1 1 1 0   26 1  o 479.298 10.790 48.715  2.1901 50.117  3.0933  47.306  3.1013 485.808 15.035 471.946 15.517 13.86151       21.60663 
1 1 1 0   26 2  o 521.708 10.848 57.716  2.3968 58.816  3.4317  56.668  3.3489 526.272 15.398 516.580 15.308 9.691528       21.71231 
1 1 1 0   26 3  o 276.019 12.007 16.159  1.4035 17.698  2.1214  14.962  1.8717 288.061 17.473 264.857 16.774 23.20380       24.22105 
1 1 1 0   26 4  o 270.102 12.228 15.474  1.3987 16.749  1.9626  14.157  1.9940 280.328 16.606 257.441 18.411 22.88727       24.79373 
1 1 1 0   26 5  o 232.207 13.069 11.474  1.2799 11.466  1.7380  11.483  1.8919 231.636 17.855 231.609 19.469 0.2647400E-01  26.41705 
1 1 1 0   26 6  o 341.577 13.804 24.751  1.9969 25.316  2.4653  23.673  3.4050 345.297 16.859 332.538 24.348 12.75876       29.61486 
1 1 1 0   26 7  o 933.206 27.976 185.708 11.056 185.708 11.056  0.0000  0.0000 933.206 27.976 ?       ?      0.000000       27.97560 
1 1 1 0   26 8  o 186.058 16.143 7.4018  1.2594 7.0093  1.7899  7.7865  1.7723 179.910 24.098 190.040 22.455 -10.13000      32.93832 
1 1 1 0   26 9  o 781.256 14.760 129.484 4.8834 120.360 8.0085  134.885 6.1614 751.885 25.151 796.986 18.255 -45.10175      31.07784 
1 1 1 0   26 10 o 174.262 20.225 6.5394  1.4648 7.7513  2.4044  5.8241  1.8472 188.068 31.289 163.068 27.742 24.99934       41.81647 
1 1 1 0   26 11 o 422.075 18.146 37.838  3.2435 37.511  4.3300  38.256  4.8959 419.012 24.508 422.684 27.501 -3.671509      36.83681 
1 1 1 0   26 12 o 655.250 18.996 91.243  5.2711 94.780  7.1460  87.022  7.8066 666.897 25.303 638.403 28.875 28.49414       38.39258 
1 1 1 0   26 13 o 537.594 27.194 61.847  6.1711 0.0000  0.0000  61.847  6.1711 ?       ?      537.594 27.194 0.000000       27.19424 
1 1 1 0   26 14 o 441.553 21.302 41.507  3.9833 0.0000  0.0000  41.507  3.9833 ?       ?      441.553 21.302 0.000000       21.30165 
1 1 1 0   26 15 o 933.050 17.391 185.052 6.8718 186.262 11.391  184.360 8.6163 932.972 28.831 930.266 21.871 2.705261       36.18764 
1 1 1 0   26 16 o 205.275 21.302 9.0709  1.8249 9.3413  2.5803  8.8003  2.5812 206.656 30.391 200.231 31.479 6.425095       43.75549 
1 1 1 0   26 17 o 452.454 19.944 43.591  3.8214 43.819  5.2282  43.329  5.5995 451.705 27.461 448.639 29.639 3.065277       40.40516 
1 1 1 0   26 18 o 106.980 31.618 2.5014  1.5321 3.0869  2.3059  2.0386  2.0500 120.971 39.310 104.052 37.000 16.91847       53.98433 
1 1 1 0   26 19 o 106.830 31.269 2.5100  1.5049 1.6135  2.0903  3.4747  2.1684 98.645  36.995 125.572 37.731 -26.92702      52.84216 
1 1 1 0   26 20 f 257.475 22.947 14.323  2.4759 13.429  3.4071  15.324  3.6042 246.459 33.512 263.702 32.996 -17.24298      47.02983 
1 1 1 0   26 21 o 262.593 22.573 14.912  2.4859 13.139  3.4659  16.791  3.5674 242.870 34.682 276.334 31.020 -33.46365      46.53052 
1 1 1 0   26 22 o 313.759 22.393 21.274  2.9559 20.338  4.0184  22.379  4.3636 303.684 31.713 318.247 32.849 -14.56396      45.65945 
1 1 1 0   26 23 o 465.147 29.078 47.429  5.6992 47.429  5.6992  0.0000  0.0000 465.147 29.078 ?       ?      0.000000       29.07826 
1 1 1 0   26 24 o 127.649 31.070 3.7392  1.6637 2.7920  2.2078  4.9838  2.5309 113.697 38.510 145.698 39.863 -32.00060      55.42601 
1 1 1 0   26 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   26 26 o 196.594 28.933 8.7443  2.3368 6.9006  3.0312  11.445  3.6688 168.589 42.475 219.096 41.049 -50.50726      59.06925 
1 1 1 0   26 27 o 81.689  32.750 0.8847  1.7242 -0.7151 2.1966  3.4521  2.7827 74.391  33.425 123.385 43.178 -48.99393      54.60355 
1 1 1 0   27 1  o 292.642 11.441 18.160  1.4179 14.358  1.9751  22.203  2.0368 259.305 18.099 323.426 14.871 -64.12039      23.42489 
1 1 1 0   27 2  o 696.243 11.393 102.788 3.3592 103.064 4.7807  102.519 4.7212 696.680 16.204 694.854 16.044 1.825317       22.80294 
1 1 1 0   27 3  f 104.205 22.489 2.4000  0.9634 3.2621  1.4737  1.7566  1.2730 121.189 29.084 91.585  29.153 29.60485       41.18007 
1 1 1 0   27 4  o 1003.60 14.925 213.748 6.3435 216.087 7.7337  208.937 11.090 1008.55 18.107 989.904 26.454 18.65137       32.05748 
1 1 1 0   27 5  o 200.490 15.687 8.5831  1.3213 8.1865  1.6000  9.4337  2.3429 195.300 19.610 208.627 27.162 -13.32750      33.50158 
1 1 1 0   27 6  o 533.889 13.667 60.458  3.0901 55.113  3.7538  71.693  5.4425 509.476 17.398 580.588 22.136 -71.11188      28.15451 
1 1 1 0   27 7  o 49.253  22.611 -0.7942 1.0745 0.0000  0.0000  -0.7942 1.0745 ?       ?      49.253  22.611 0.000000       22.61061 
1 1 1 0   27 8  o 278.898 17.920 16.585  2.1053 14.325  2.7697  19.677  3.2399 258.097 25.681 302.917 25.493 -44.81967      36.18604 
1 1 1 0   27 9  o 756.753 17.760 121.606 5.6916 117.666 7.7518  126.214 8.3836 743.421 24.622 769.760 25.718 -26.33881      35.60405 
1 1 1 0   27 10 o 208.056 23.003 9.3228  1.9929 9.8951  2.5282  8.3836  3.2387 213.473 28.693 193.939 40.729 19.53386       49.82093 
1 1 1 0   27 11 o 401.069 15.154 34.140  2.5739 28.280  4.0900  37.982  3.3119 363.174 26.782 422.797 18.497 -59.62247      32.54871 
1 1 1 0   27 12 o 712.617 19.454 107.975 5.8709 0.0000  0.0000  107.975 5.8709 ?       ?      712.617 19.454 0.000000       19.45367 
1 1 1 0   27 13 o 613.747 27.504 80.478  7.1488 0.0000  0.0000  80.478  7.1488 ?       ?      613.747 27.504 0.000000       27.50413 
1 1 1 0   27 14 o 575.180 16.359 70.290  3.9849 67.482  6.3943  72.073  5.0952 561.961 26.869 581.840 20.678 -19.87939      33.90462 
1 1 1 0   27 15 o 289.656 18.901 17.925  2.3058 18.429  3.4294  17.509  3.1150 292.182 28.060 285.107 26.088 7.075287       38.31407 
1 1 1 0   27 16 o 203.702 23.482 8.9681  1.9886 7.9000  2.9252  9.8859  2.7115 188.044 38.039 212.513 31.045 -24.46881      49.09963 
1 1 1 0   27 17 o 318.914 18.781 21.726  2.5253 18.897  3.8441  23.874  3.3495 294.960 31.251 333.496 23.874 -38.53607      39.32639 
1 1 1 0   27 18 o 177.839 26.501 6.9257  1.9349 6.1796  2.7141  7.6969  2.7592 165.295 39.341 185.374 36.446 -20.07903      53.62844 
1 1 1 0   27 19 o 267.173 21.850 15.375  2.4506 14.426  3.4727  16.316  3.4587 256.020 32.783 273.191 30.412 -17.17102      44.71667 
1 1 1 0   27 20 o 398.749 20.958 34.148  3.5268 30.480  4.8338  38.322  5.1571 373.583 30.828 419.787 29.191 -46.20404      42.45558 
1 1 1 0   27 21 o 301.630 21.906 19.639  2.7792 17.992  3.7794  21.578  4.1010 285.620 31.785 313.239 31.335 -27.61972      44.63377 
1 1 1 0   27 22 o 519.416 28.610 58.878  6.2690 58.878  6.2690  0.0000  0.0000 519.416 28.610 ?       ?      0.000000       28.60981 
1 1 1 0   27 23 o 372.594 30.053 30.679  4.7017 30.679  4.7017  0.0000  0.0000 372.594 30.053 ?       ?      0.000000       30.05297 
1 1 1 0   27 24 o 79.787  34.950 -0.2793 2.2550 0.0000  0.0000  -0.2793 2.2550 ?       ?      79.787  34.950 0.000000       34.95001 
1 1 1 0   27 25 o 124.433 38.141 3.5835  2.2003 3.5835  2.2003  0.0000  0.0000 124.433 38.141 ?       ?      0.000000       38.14105 
1 1 1 0   27 26 o 329.147 23.214 23.840  3.2151 20.561  4.1448  28.795  5.0946 299.712 33.214 354.235 34.394 -54.52237      47.81311 
1 1 1 0   27 27 o 93.589  33.652 1.7829  1.7003 0.7157  2.0156  4.4160  3.1660 84.157  34.778 135.813 46.115 -51.65586      57.75872 
1 1 1 0   28 0  o 867.678 24.282 159.885 8.9224 159.885 8.9224  0.0000  0.0000 867.678 24.282 ?       ?      0.000000       24.28171 
1 1 1 0   28 1  o 138.475 24.408 4.2034  1.3790 4.2034  1.3790  0.0000  0.0000 138.475 24.408 ?       ?      0.000000       24.40788 
1 1 1 0   28 2  o 511.204 15.599 55.467  3.3771 55.467  3.3771  0.0000  0.0000 511.204 15.599 ?       ?      0.000000       15.59937 
1 1 1 0   28 3  o 690.638 16.488 101.260 4.8223 101.260 4.8223  0.0000  0.0000 690.638 16.488 ?       ?      0.000000       16.48784 
1 1 1 0   28 4  o 1043.18 15.143 230.916 6.6900 224.933 8.1662  243.124 11.666 1028.99 18.740 1068.24 25.787 -39.24951      31.87702 
1 1 1 0   28 5  o 232.464 19.353 11.560  1.8879 12.309  2.4713  10.511  2.9257 239.178 24.757 219.452 32.460 19.72540       40.82328 
1 1 1 0   28 6  o 1281.85 20.429 349.232 11.090 337.301 15.491  361.776 15.883 1257.36 29.092 1302.27 28.800 -44.91736      40.93645 
1 1 1 0   28 7  o 396.173 23.757 33.522  3.9675 0.0000  0.0000  33.522  3.9675 ?       ?      396.173 23.757 0.000000       23.75741 
1 1 1 0   28 8  o 823.630 14.790 143.931 5.1587 139.564 6.3731  152.231 8.7853 810.567 18.566 845.553 24.534 -34.98566      30.76728 
1 1 1 0   28 9  o 86.519  26.909 1.5854  1.0907 2.2866  1.5766  0.9419  1.5104 103.778 32.365 81.262  31.221 22.51590       44.96980 
1 1 1 0   28 10 o 140.615 31.241 4.3924  1.8120 0.0000  0.0000  4.3924  1.8120 ?       ?      140.615 31.241 0.000000       31.24093 
1 1 1 0   28 11 o 778.190 19.274 128.753 6.3518 0.0000  0.0000  128.753 6.3518 ?       ?      778.190 19.274 0.000000       19.27370 
1 1 1 0   28 12 f 523.218 15.242 58.127  3.3773 60.120  5.4028  56.849  4.3267 531.024 24.025 516.948 19.764 14.07690       31.10958 
1 1 1 0   28 13 o 320.832 18.899 21.970  2.5565 20.752  3.3982  23.558  3.8803 310.648 26.072 330.763 27.964 -20.11548      38.23235 
1 1 1 0   28 14 o 263.504 18.448 14.841  2.0457 9.7202  3.1630  18.523  2.6821 209.389 37.024 294.054 21.691 -84.66533      42.91012 
1 1 1 0   28 15 o 1410.99 19.843 423.873 11.857 411.483 19.926  430.665 14.754 1382.93 34.024 1420.21 24.530 -37.28369      41.94460 
1 1 1 0   28 16 o 218.105 19.967 10.216  1.8238 12.568  2.6944  8.2270  2.4777 240.887 26.870 193.344 31.332 47.54301       41.27593 
1 1 1 0   28 17 o 277.762 21.559 16.564  2.5161 15.985  3.4195  17.247  3.7156 271.020 30.312 281.278 31.748 -10.25812      43.89505 
1 1 1 0   28 18 o 553.337 17.528 65.248  4.1074 58.997  6.3333  69.785  5.3960 522.624 28.725 571.128 22.310 -48.50323      36.37143 
1 1 1 0   28 19 o 189.658 24.039 7.8430  1.8874 8.4802  2.6557  7.1927  2.6830 194.929 33.370 178.307 36.753 16.62148       49.64220 
1 1 1 0   28 20 o 254.511 22.048 14.007  2.3530 14.565  3.2987  13.428  3.3573 257.082 30.919 246.011 33.061 11.07071       45.26628 
1 1 1 0   28 21 o 236.519 23.839 12.176  2.3552 7.8811  3.1935  17.297  3.4873 184.476 41.840 280.396 29.826 -95.91966      51.38285 
1 1 1 0   28 22 o 119.078 39.687 3.0683  2.3449 3.0683  2.3449  0.0000  0.0000 119.078 39.687 ?       ?      0.000000       39.68730 
1 1 1 0   28 23 o 176.109 39.554 7.2824  2.8779 0.0000  0.0000  7.2824  2.8779 ?       ?      176.109 39.554 0.000000       39.55443 
1 1 1 0   28 24 o 146.176 45.416 5.0749  3.1076 0.0000  0.0000  5.0749  3.1076 ?       ?      146.176 45.416 0.000000       45.41563 
1 1 1 0   28 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   28 26 o 78.965  31.195 0.9010  1.5421 0.2334  1.8480  2.4320  2.7986 76.372  32.530 111.698 42.597 -35.32587      53.59743 
1 1 1 0   28 27 o 74.368  30.414 0.5833  1.5213 -0.4804 1.8069  3.1730  2.8194 68.752  30.643 119.859 43.304 -51.10767      53.04894 
1 1 1 0   29 1  o 109.014 27.643 2.6321  1.2780 3.1305  1.5258  1.4603  2.3396 118.818 30.245 100.918 38.837 17.89979       49.22474 
1 1 1 0   29 2  o 206.310 17.915 9.1073  1.5497 8.4433  2.2537  9.7029  2.1344 197.084 27.772 212.132 24.192 -15.04823      36.83145 
1 1 1 0   29 3  o 241.433 16.898 12.435  1.7168 12.891  2.3892  11.949  2.4685 245.031 23.305 235.551 25.134 9.480759       34.27639 
1 1 1 0   29 4  o 944.279 17.695 189.348 7.0762 192.473 9.8616  186.031 10.160 950.793 24.492 934.495 25.672 16.29755       35.48068 
1 1 1 0   29 5  o 452.237 16.926 43.420  3.2416 0.0000  0.0000  43.420  3.2416 ?       ?      452.237 16.926 0.000000       16.92578 
1 1 1 0   29 6  o 533.030 11.877 60.241  2.6811 57.430  3.7879  63.062  3.7955 520.073 17.198 545.042 16.443 -24.96948      23.79435 
1 1 1 0   29 7  o 236.518 16.945 11.938  1.6861 13.901  3.5359  11.361  1.9182 252.654 33.902 230.352 19.857 22.30174       39.28968 
1 1 1 0   29 8  o 128.954 26.824 3.6768  1.4172 8.0718  3.3434  2.7142  1.5647 189.894 42.621 111.289 31.680 78.60500       53.10524 
1 1 1 0   29 9  f 393.622 15.957 32.895  2.6599 35.713  5.3154  31.954  3.0723 407.481 31.036 387.755 18.709 19.72620       36.23871 
1 1 1 0   29 10 o 431.226 19.038 39.535  3.4767 0.0000  0.0000  39.535  3.4767 ?       ?      431.226 19.038 0.000000       19.03805 
1 1 1 0   29 11 o 101.980 27.393 2.2977  1.2082 2.5477  1.8684  2.1180  1.5839 110.148 35.345 100.809 32.565 9.339226       48.05980 
1 1 1 0   29 12 o 595.560 14.972 75.320  3.7761 75.977  6.1163  74.916  4.8002 596.772 24.201 593.426 19.101 3.345886       30.83076 
1 1 1 0   29 13 o 212.949 21.470 9.7582  1.9098 6.6791  2.6046  13.339  2.8086 172.874 36.711 248.312 27.151 -75.43811      45.66048 
1 1 1 0   29 14 f 279.627 18.339 16.705  2.1597 14.196  3.2191  18.760  2.9124 255.551 30.338 295.599 23.458 -40.04863      38.34898 
1 1 1 0   29 15 o 86.196  30.041 1.4261  1.3463 1.0494  1.9189  1.7913  1.8895 89.354  34.951 98.813  35.481 -9.459381      49.80450 
1 1 1 0   29 16 o 129.842 30.603 3.7675  1.6552 3.8023  2.1818  3.7202  2.5407 130.887 37.461 131.138 41.117 -0.2504272     55.62314 
1 1 1 0   29 17 o 61.080  26.763 -0.2990 1.3232 -3.4771 1.8378  3.1212  1.9065 51.652  25.258 119.025 35.293 -67.37321      43.40049 
1 1 1 0   29 18 o 181.794 23.932 7.2091  1.7977 4.2031  2.5624  10.123  2.5227 137.137 40.974 214.855 28.423 -77.71748      49.86719 
1 1 1 0   29 19 o 640.294 17.393 87.531  4.7162 89.423  7.5374  86.314  6.0460 643.136 27.674 634.065 22.516 9.070984       35.67667 
1 1 1 0   29 20 o 248.380 22.666 13.375  2.3579 14.191  3.3038  12.528  3.3662 253.266 31.482 236.686 34.606 16.57927       46.78360 
1 1 1 0   29 21 o 437.412 28.409 41.812  5.2339 41.812  5.2339  0.0000  0.0000 437.412 28.409 ?       ?      0.000000       28.40869 
1 1 1 0   29 22 o 181.670 26.057 7.3211  1.9473 10.090  2.6684  4.1669  2.8481 212.226 30.572 135.400 43.659 76.82568       53.29930 
1 1 1 0   29 23 o 284.988 35.292 18.492  4.1683 0.0000  0.0000  18.492  4.1683 ?       ?      284.988 35.292 0.000000       35.29243 
1 1 1 0   29 24 o 187.846 27.187 7.9116  2.0998 7.5013  2.7423  8.4933  3.2648 178.688 37.437 188.296 42.010 -9.608200      56.27034 
1 1 1 0   29 25 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 0   29 26 o 342.629 22.579 25.865  3.2579 22.216  4.2174  31.266  5.1304 311.036 32.497 368.810 33.204 -57.77377      46.46016 
1 1 1 0   30 0  o 612.913 23.146 79.744  6.0080 0.0000  0.0000  79.744  6.0080 ?       ?      612.913 23.146 0.000000       23.14650 
1 1 1 0   30 1  o 78.624  29.425 0.9865  1.3210 0.0000  0.0000  0.9865  1.3210 ?       ?      78.624  29.425 0.000000       29.42507 
1 1 1 0   30 2  o 304.048 16.421 19.681  2.1066 0.0000  0.0000  19.681  2.1066 ?       ?      304.048 16.421 0.000000       16.42119 
1 1 1 0   30 3  o 648.308 13.477 89.150  3.7003 95.614  6.7574  86.382  4.4222 670.181 23.809 637.904 16.370 32.27747       28.89371 
1 1 1 0   30 4  o 424.004 13.516 38.134  2.4270 35.281  4.4028  39.379  2.9089 406.110 25.733 430.724 15.947 -24.61377      30.27382 
1 1 1 0   30 5  o 155.117 22.089 5.2204  1.4100 0.9058  2.5528  7.1146  1.6915 98.091  39.665 181.493 22.489 -83.40234      45.59661 
1 1 1 0   30 6  o 441.700 18.454 41.452  3.4519 36.541  4.9792  45.995  4.7896 412.759 28.663 464.052 24.458 -51.29269      37.67997 
1 1 1 0   30 7  o 336.602 14.957 24.046  2.1320 24.615  4.2798  23.859  2.4589 338.053 30.213 334.700 17.408 3.353180       34.86918 
1 1 1 0   30 8  o 329.922 13.132 23.091  1.8348 23.122  2.6223  23.061  2.5682 329.281 18.884 328.891 18.514 0.3898315      26.44549 
1 1 1 0   30 9  o 406.035 13.046 34.978  2.2432 31.899  3.1864  38.003  3.1587 386.800 19.515 422.890 17.637 -36.09003      26.30423 
1 1 1 0   30 10 o 234.672 22.395 11.838  2.1986 0.0000  0.0000  11.838  2.1986 ?       ?      234.672 22.395 0.000000       22.39500 
1 1 1 0   30 11 o 247.782 17.840 13.121  1.8595 13.505  2.9594  12.870  2.3902 249.661 28.501 244.580 23.361 5.081512       36.85147 
1 1 1 0   30 12 f 956.254 16.326 194.335 6.6114 186.797 10.807  198.843 8.3578 934.460 27.309 966.285 20.424 -31.82489      34.10164 
1 1 1 0   30 13 o 80.525  29.410 1.1280  1.3056 -0.1285 1.7677  2.6361  1.9366 73.251  31.521 111.886 35.993 -38.63534      47.84473 
1 1 1 0   30 14 o 390.673 16.446 32.447  2.7210 29.386  4.1598  34.736  3.5973 369.645 26.754 403.151 21.144 -33.50601      34.10069 
1 1 1 0   30 15 o 560.405 19.011 66.885  4.5118 61.336  6.0907  73.633  6.7164 534.432 26.999 586.266 27.052 -51.83398      38.21945 
1 1 1 0   30 16 o 481.541 17.067 49.367  3.4803 39.715  5.4126  56.171  4.5444 428.495 30.017 512.957 20.919 -84.46201      36.58731 
1 1 1 0   30 17 o 384.410 17.246 31.498  2.8075 35.770  4.3304  28.400  3.6874 407.378 25.225 363.109 24.117 44.26880       34.89857 
1 1 1 0   30 18 o 346.985 17.916 25.776  2.6237 22.958  4.0574  27.800  3.4395 324.215 29.887 359.223 22.727 -35.00830      37.54662 
1 1 1 0   30 19 o 274.417 19.423 16.204  2.2426 22.243  3.4709  11.876  2.9383 319.936 25.838 231.725 30.698 88.21123       40.12444 
1 1 1 0   30 20 o 219.653 27.493 10.623  2.5014 10.289  2.9909  11.399  4.5630 213.969 34.155 219.148 50.239 -5.179474      60.75010 
1 1 1 0   30 21 o 290.804 19.061 18.233  2.3345 16.040  3.5896  19.839  3.0731 268.203 32.251 301.774 24.251 -33.57068      40.35123 
1 1 1 0   30 22 o 251.736 35.343 14.434  3.6640 0.0000  0.0000  14.434  3.6640 ?       ?      251.736 35.343 0.000000       35.34251 
1 1 1 0   30 23 o 230.846 24.470 11.758  2.3557 11.171  3.0650  12.607  3.6822 221.010 33.823 232.525 38.758 -11.51457      51.44091 
1 1 1 0   30 24 o 57.953  26.113 -0.5898 1.3518 -0.4451 1.6788  -0.8567 2.2796 66.796  29.668 75.182  33.890 -8.386299      45.04132 
1 1 1 0   30 25 o 139.729 44.055 4.7708  2.9125 0.0000  0.0000  4.7708  2.9125 ?       ?      139.729 44.055 0.000000       44.05528 
1 1 1 0   30 26 o 402.566 22.494 35.698  3.8195 39.781  5.0613  30.298  5.8214 420.084 28.621 357.156 39.128 62.92795       48.47834 
1 1 1 0   31 1  o 629.635 11.693 84.057  3.1179 84.556  4.4984  83.596  4.3255 631.045 16.833 627.509 16.277 3.535400       23.41543 
1 1 1 0   31 2  o 245.240 13.805 12.799  1.4280 10.128  2.0506  15.314  1.9897 216.994 22.648 267.941 17.633 -50.94756      28.70300 
1 1 1 0   31 3  o 136.234 18.392 4.0141  1.0340 2.7142  1.5773  4.9938  1.3692 111.334 31.846 151.655 21.958 -40.32032      38.68288 
1 1 1 0   31 4  o 113.129 22.314 2.8182  1.0311 2.7692  1.5751  2.8549  1.3639 112.306 31.721 113.448 28.442 -1.141747      42.60498 
1 1 1 0   31 5  o 384.666 12.419 31.382  2.0230 28.129  2.8560  34.658  2.8660 363.345 18.623 403.978 16.752 -40.63232      25.04909 
1 1 1 0   31 6  o 674.404 14.257 96.518  4.0717 100.969 4.9608  87.330  7.1279 689.459 16.990 639.813 26.307 49.64557       31.31617 
1 1 1 0   31 7  o 124.512 22.332 3.4003  1.1343 3.8595  1.6215  2.9603  1.5873 131.778 29.759 115.725 31.531 16.05334       43.35640 
1 1 1 0   31 8  o 247.585 14.451 13.056  1.5086 11.729  2.1955  14.243  2.0765 233.591 22.471 258.092 19.134 -24.50166      29.51394 
1 1 1 0   31 9  o 418.352 13.127 37.140  2.3257 38.532  3.3117  35.786  3.2668 425.673 18.371 410.186 18.806 15.48700       26.28999 
1 1 1 0   31 10 o 84.723  29.194 1.3970  1.2697 0.7608  2.0539  1.7906  1.6154 88.272  35.619 95.633  32.930 -7.361603      48.50873 
1 1 1 0   31 11 o 307.175 16.440 20.112  2.1308 23.292  3.2808  17.792  2.8024 329.541 23.666 287.875 23.183 41.66528       33.12910 
1 1 1 0   31 12 o 514.649 15.068 56.269  3.2841 51.790  5.0671  59.513  4.3124 492.444 24.297 528.726 19.259 -36.28207      31.00454 
1 1 1 0   31 13 o 334.246 16.657 23.755  2.3578 22.207  3.5977  24.920  3.1216 321.059 26.703 341.177 21.718 -20.11746      34.41934 
1 1 1 0   31 14 o 205.734 22.115 9.1340  1.8965 10.002  2.5893  8.1289  2.7857 213.966 29.348 191.064 35.742 22.90230       46.24714 
1 1 1 0   31 15 o 191.670 21.499 7.9396  1.7150 8.1913  2.4769  7.7079  2.3769 192.610 31.452 186.786 31.146 5.824081       44.26399 
1 1 1 0   31 16 o 340.259 17.171 24.732  2.4664 22.526  3.7841  26.361  3.2519 322.305 28.002 350.344 22.030 -28.03897      35.62957 
1 1 1 0   31 17 o 262.427 25.605 14.958  2.8093 12.247  3.3824  20.988  5.0445 234.512 35.140 306.495 39.804 -71.98323      53.09586 
1 1 1 0   31 18 o 155.501 26.474 5.3611  1.6809 5.0990  2.4882  5.5810  2.2798 149.182 38.961 156.627 35.225 -7.445724      52.52353 
1 1 1 0   31 19 o 165.569 31.246 6.1685  2.1105 5.9721  2.5033  6.6510  3.9246 161.286 37.380 168.592 50.784 -7.305817      63.05820 
1 1 1 0   31 20 o 108.927 30.688 2.6722  1.4762 0.7705  2.1841  4.2716  2.0029 89.167  36.452 136.503 34.602 -47.33654      50.25961 
1 1 1 0   31 21 o 108.867 38.877 2.3903  2.2655 0.0000  0.0000  2.3903  2.2655 ?       ?      108.867 38.877 0.000000       38.87697 
1 1 1 0   31 22 o 101.678 32.391 2.2915  1.5712 1.2412  2.1934  3.3985  2.2519 93.468  37.115 122.013 38.767 -28.54472      53.66945 
1 1 1 0   31 23 o 105.223 31.596 2.5165  1.5209 1.9335  2.0013  3.3134  2.3398 99.453  36.399 120.755 39.616 -21.30240      53.79845 
1 1 1 0   31 24 o 171.864 28.762 6.7421  2.0194 3.8035  2.6727  10.652  3.0828 127.489 42.365 213.529 35.327 -86.03952      55.16123 
1 1 1 0   31 25 o 175.110 46.133 7.7828  3.4689 0.0000  0.0000  7.7828  3.4689 ?       ?      175.110 46.133 0.000000       46.13338 
1 1 1 0   31 26 o 205.870 27.098 9.6047  2.3051 9.3262  3.0385  9.9824  3.5382 197.064 37.783 200.770 42.915 -3.705048      57.17767 
1 1 1 0   32 0  o 292.245 19.176 18.198  2.3601 17.476  3.4115  18.860  3.2686 285.252 28.626 296.745 26.281 -11.49353      38.86096 
1 1 1 0   32 1  o 624.844 11.822 82.795  3.1283 83.792  4.5138  81.874  4.3394 628.097 16.970 620.920 16.503 7.176270       23.67072 
1 1 1 0   32 2  o 76.180  26.610 1.0994  1.0567 1.0671  1.5161  1.1299  1.4734 83.152  31.438 83.397  31.103 -0.2446289     44.22404 
1 1 1 0   32 3  o 100.922 24.454 2.2573  1.0342 3.5683  1.5717  1.2563  1.3734 126.696 29.793 83.828  30.232 42.86733       42.44531 
1 1 1 0   32 4  o 588.213 11.696 73.375  2.9136 74.924  4.1794  71.910  4.0639 593.930 16.616 581.874 16.492 12.05609       23.41117 
1 1 1 0   32 5  o 615.157 12.203 80.266  3.1789 75.978  4.4258  84.835  4.5690 597.966 17.477 631.906 17.074 -33.94080      24.43285 
1 1 1 0   32 6  o 733.179 14.609 114.115 4.5361 113.676 5.5377  115.009 7.9079 731.304 17.881 734.151 25.435 -2.846863      31.09128 
1 1 1 0   32 7  o 352.813 13.438 26.417  2.0078 25.879  2.8729  26.930  2.8072 348.222 19.561 355.361 18.719 -7.139099      27.07466 
1 1 1 0   32 8  o 143.813 20.299 4.4887  1.2019 6.4305  1.7638  2.8053  1.6422 171.818 24.971 113.046 32.543 58.77213       41.01970 
1 1 1 0   32 9  o 548.726 12.956 63.904  3.0108 61.085  4.2947  66.628  4.2221 535.789 18.928 559.727 17.812 -23.93848      25.99081 
1 1 1 0   32 10 o 666.636 14.754 94.395  4.1654 98.110  6.7775  92.140  5.2804 677.981 23.605 657.958 18.951 20.02289       30.27098 
1 1 1 0   32 11 o 194.864 19.949 8.1710  1.6231 7.5356  2.4840  8.6444  2.1441 184.498 33.003 199.418 26.008 -14.91957      42.01897 
1 1 1 0   32 12 o 49.725  22.977 -0.9261 1.1355 -1.5777 1.5481  -0.1671 1.6708 55.611  26.072 70.745  30.543 -15.13423      40.15808 
1 1 1 0   32 13 o 135.190 27.854 4.0585  1.5416 2.4768  1.9516  6.6833  2.5140 109.445 36.194 172.888 35.525 -63.44332      50.71489 
1 1 1 0   32 14 o 423.619 15.857 38.169  2.8447 37.466  4.3888  38.678  3.7357 417.611 24.930 425.763 20.719 -8.151855      32.41545 
1 1 1 0   32 15 o 132.771 23.656 3.8860  1.2813 4.5166  1.8308  3.2805  1.7939 141.932 31.300 121.225 33.717 20.70728       46.00570 
1 1 1 0   32 16 o 161.756 23.359 5.7255  1.5538 3.9547  2.2533  7.3308  2.1454 132.649 38.100 182.138 28.770 -49.48868      47.74241 
1 1 1 0   32 17 o 80.161  30.194 1.0460  1.3954 -0.3352 2.1299  2.0847  1.8469 78.002  34.072 101.809 35.202 -23.80672      48.99061 
1 1 1 0   32 18 o 209.609 27.779 9.6854  2.4051 9.1832  2.7791  11.184  4.8004 202.212 33.634 216.384 52.842 -14.17209      62.63781 
1 1 1 0   32 19 o 477.156 17.216 48.715  3.4788 50.557  5.5301  47.509  4.4752 481.654 27.223 469.486 22.509 12.16885       35.32324 
1 1 1 0   32 20 o 74.320  32.645 -0.3621 1.9794 0.0000  0.0000  -0.3621 1.9794 ?       ?      74.320  32.645 0.000000       32.64539 
1 1 1 0   32 21 o 143.956 27.808 4.6948  1.6339 4.4326  2.3252  4.9506  2.2966 137.514 38.435 145.295 37.172 -7.780823      53.47015 
1 1 1 0   32 22 o 179.275 24.835 7.1557  1.8349 9.3729  2.5994  4.9536  2.5905 203.014 31.235 144.162 40.667 58.85172       51.27771 
1 1 1 0   32 23 o 147.419 29.710 5.0004  1.7907 3.0203  2.3947  7.5123  2.6972 116.591 40.096 178.338 36.928 -61.74737      54.51053 
1 1 1 0   32 24 o 129.429 38.653 4.0261  2.2807 4.0261  2.2807  0.0000  0.0000 129.429 38.653 ?       ?      0.000000       38.65292 
1 1 1 0   32 25 o 117.876 39.001 3.2573  2.2659 3.2573  2.2659  0.0000  0.0000 117.876 39.001 ?       ?      0.000000       39.00060 
1 1 1 0   33 1  o 922.529 12.851 180.557 5.0208 185.325 7.1939  176.028 7.0106 933.726 18.193 910.004 18.191 23.72192       25.72765 
1 1 1 0   33 2  o 207.698 15.453 9.2104  1.3494 9.2167  1.9572  9.2047  1.8631 206.778 22.725 206.821 21.590 -0.4283142E-01 31.34566 
1 1 1 0   33 3  o 254.595 13.415 13.793  1.4413 14.952  2.1840  12.899  1.9184 264.397 19.646 245.607 18.581 18.79031       27.04088 
1 1 1 0   33 4  o 71.804  26.656 0.8479  1.0797 -0.7666 1.5557  2.3484  1.4998 62.386  28.071 104.233 31.393 -41.84737      42.11290 
1 1 1 0   33 5  o 90.501  28.009 1.7454  1.1833 1.9246  1.6460  1.5537  1.7022 98.162  33.251 93.078  33.644 5.084229       47.30269 
1 1 1 0   33 6  o 429.813 19.505 39.315  3.5503 39.065  5.1234  39.546  4.9242 426.300 28.544 429.218 27.231 -2.917267      39.44998 
1 1 1 0   33 7  o 69.220  26.569 0.6873  1.0931 2.1642  1.6117  -0.5710 1.4876 101.744 32.847 62.512  27.837 39.23265       43.05609 
1 1 1 0   33 8  o 695.925 12.778 102.790 3.7660 105.258 5.4074  100.465 5.2480 703.399 18.153 687.216 18.033 16.18250       25.58708 
1 1 1 0   33 9  o 544.774 12.968 62.998  2.9918 60.540  4.2595  65.392  4.2031 533.301 18.860 554.401 17.902 -21.10004      26.00356 
1 1 1 0   33 10 o 255.472 15.636 13.923  1.6836 12.084  2.3955  15.718  2.3666 236.621 24.248 270.776 20.797 -34.15530      31.94490 
1 1 1 0   33 11 o 581.344 17.934 71.922  4.4151 67.221  5.8020  78.387  6.8051 560.827 24.429 605.109 26.556 -44.28186      36.08301 
1 1 1 0   33 12 o 374.844 19.156 30.008  3.0307 36.163  4.1847  23.217  4.3953 410.607 24.172 326.874 32.168 83.73221       40.23773 
1 1 1 0   33 13 o 390.583 15.959 32.450  2.6397 33.931  3.9698  31.276  3.5342 397.629 23.682 382.071 21.934 15.55862       32.27933 
1 1 1 0   33 14 o 37.406  18.417 -2.1879 1.0309 -3.1758 1.3379  -0.7438 1.6175 40.987  20.326 63.844  28.685 -22.85637      35.15640 
1 1 1 0   33 15 o 510.903 15.882 55.607  3.4363 54.020  5.3523  56.719  4.4819 500.616 25.329 514.938 20.553 -14.32187      32.61814 
1 1 1 0   33 16 o 152.333 31.901 5.2298  1.9920 3.5530  2.2569  11.142  4.2377 126.399 38.610 219.023 47.088 -92.62427      60.89365 
1 1 1 0   33 17 f 110.637 33.672 2.7080  1.7189 2.3405  1.9592  3.9367  3.5819 106.425 36.275 137.926 48.923 -31.50066      60.90431 
1 1 1 0   33 18 o 495.560 16.849 52.515  3.5360 45.565  5.5274  57.330  4.6005 456.530 28.736 516.367 21.038 -59.83633      35.61415 
1 1 1 0   33 19 o 738.808 22.383 117.843 7.0032 0.0000  0.0000  117.843 7.0032 ?       ?      738.808 22.383 0.000000       22.38315 
1 1 1 0   33 20 o 225.055 21.717 11.055  2.0441 7.9229  2.8538  14.356  2.9292 184.496 37.796 254.549 27.616 -70.05301      46.80997 
1 1 1 0   33 21 o 303.116 19.294 19.927  2.4638 15.322  3.7586  23.396  3.2624 258.454 35.260 326.606 23.749 -68.15265      42.51274 
1 1 1 0   33 22 o 77.449  30.792 0.8003  1.5114 0.4209  1.9943  1.3123  2.3167 81.246  34.158 95.397  38.061 -14.15124      51.14094 
1 1 1 0   33 23 o 182.147 25.465 7.4571  1.9106 7.1692  2.7998  7.7080  2.6138 172.260 39.254 180.707 35.421 -8.447098      52.87296 
1 1 1 0   33 24 o 129.537 37.544 4.0566  2.1791 2.0218  2.4825  10.888  4.5486 103.651 39.972 202.365 52.594 -98.71442      66.05978 
1 1 1 0   33 25 o 68.296  29.242 0.1172  1.5075 0.0000  1.9225  0.3043  2.4293 74.966  32.564 85.863  36.951 -10.89716      49.25191 
1 1 1 0   34 0  o 503.864 16.420 53.852  3.5038 51.147  5.1261  56.224  4.8003 489.877 24.790 514.482 22.032 -24.60587      33.16525 
1 1 1 0   34 1  o 287.908 14.331 17.599  1.7473 18.673  2.6246  16.743  2.3416 295.365 21.122 279.784 19.893 15.58054       29.01478 
1 1 1 0   34 2  o 333.074 13.125 23.544  1.8513 22.437  2.6515  24.597  2.5859 324.143 19.405 339.623 18.044 -15.48022      26.49809 
1 1 1 0   34 3  o 550.014 11.837 64.177  2.7572 65.275  4.0401  63.219  3.7723 554.124 17.216 545.432 16.331 8.692017       23.72992 
1 1 1 0   34 4  o 488.065 11.771 50.535  2.4330 49.815  3.4554  51.244  3.4263 484.089 16.855 491.028 16.477 -6.938446      23.57066 
1 1 1 0   34 5  o 455.034 12.247 43.936  2.3599 46.778  3.4675  41.483  3.2210 469.012 17.458 441.699 17.220 27.31277       24.52117 
1 1 1 0   34 6  o 653.685 19.111 90.958  5.2905 79.385  7.6585  101.522 7.3170 608.419 29.723 689.297 25.066 -80.87811      38.88157 
1 1 1 0   34 7  o 278.490 14.802 16.522  1.7394 15.247  2.4658  17.786  2.4540 266.478 22.048 288.244 20.232 -21.76547      29.92382 
1 1 1 0   34 8  o 811.095 13.400 139.687 4.6027 135.462 6.4951  143.949 6.5234 797.569 19.230 822.295 18.733 -24.72632      26.84579 
1 1 1 0   34 9  o 225.730 18.705 10.922  1.7720 11.792  2.2831  9.6031  2.8102 233.853 23.366 208.793 32.868 25.06049       40.32742 
1 1 1 0   34 10 f 257.639 18.176 14.199  1.9705 14.945  2.5102  13.002  3.1807 263.623 22.706 243.931 31.528 19.69205       38.85300 
1 1 1 0   34 11 o 1042.10 16.391 230.989 7.2338 215.372 11.886  240.176 9.1166 1001.94 28.013 1061.36 20.283 -59.41669      34.58463 
1 1 1 0   34 12 o 559.874 15.522 66.665  3.6804 71.273  5.9326  63.782  4.6925 577.083 24.275 546.794 20.265 30.28949       31.62191 
1 1 1 0   34 13 o 326.184 16.868 22.721  2.3221 17.980  3.4287  26.738  3.1560 287.645 28.523 353.094 21.204 -65.44992      35.54128 
1 1 1 0   34 14 o 76.382  28.614 0.9537  1.2498 0.9766  1.6802  0.9254  1.8698 84.066  32.755 86.551  34.300 -2.485130      47.42713 
1 1 1 0   34 15 o 127.167 33.861 3.6565  1.8560 1.4609  2.1229  10.778  3.8233 96.669  37.044 216.734 43.172 -120.0653      56.88651 
1 1 1 0   34 16 o 110.191 33.712 2.6802  1.7199 2.7742  1.9850  2.3973  3.4450 113.143 36.445 121.501 47.023 -8.358147      59.49287 
1 1 1 0   34 17 o 181.560 27.973 7.3212  2.0817 0.0000  0.0000  7.3212  2.0817 ?       ?      181.560 27.973 0.000000       27.97309 
1 1 1 0   34 18 o 246.747 26.199 13.365  2.6958 0.0000  0.0000  13.365  2.6958 ?       ?      246.747 26.199 0.000000       26.19893 
1 1 1 0   34 19 o 374.610 18.238 30.153  2.8934 27.828  4.3381  32.016  3.8832 354.856 29.124 383.268 24.046 -28.41254      37.76835 
1 1 1 0   34 20 o 210.193 22.509 9.7066  1.9724 8.9340  2.7362  10.542  2.8459 197.128 34.005 215.313 32.200 -18.18486      46.83109 
1 1 1 0   34 21 o 233.373 25.419 12.091  2.4715 7.8784  3.1109  19.300  4.0697 180.929 41.486 290.885 33.659 -109.9559      53.42269 
1 1 1 0   34 22 o 178.242 27.479 7.1926  2.0075 4.2661  2.6614  11.056  3.0579 133.678 42.110 218.389 34.184 -84.71184      54.23851 
1 1 1 0   34 23 o 114.131 32.505 3.0665  1.6468 3.0728  2.0247  3.0541  2.8307 114.652 36.795 118.051 43.276 -3.399277      56.80435 
1 1 1 0   34 24 o 138.909 37.179 4.7038  2.2303 4.0733  2.4944  7.2180  4.9809 129.197 40.775 162.898 57.701 -33.70090      70.65364 
1 1 1 0   35 1  o 920.972 13.037 180.040 5.0849 179.405 7.2882  180.643 7.0979 918.149 18.744 921.445 18.189 -3.296143      26.11877 
1 1 1 0   35 2  o 212.395 16.277 9.6446  1.4530 10.141  2.1097  9.1967  2.0040 216.760 23.351 206.301 23.349 10.45834       33.02156 
1 1 1 0   35 3  o 393.006 12.502 32.780  2.0807 34.390  3.1113  31.478  2.7986 402.013 18.275 384.728 17.177 17.28458       25.08022 
1 1 1 0   35 4  o 852.773 12.657 154.355 4.5709 153.862 6.4905  154.841 6.4382 850.363 18.023 853.108 17.820 -2.745239      25.34560 
1 1 1 0   35 5  o 276.675 14.231 16.302  1.6618 16.769  2.4465  15.902  2.2643 279.732 20.801 272.523 19.754 7.208313       28.68594 
1 1 1 0   35 6  o 273.055 18.894 15.950  2.1714 9.9346  4.2206  18.116  2.5322 208.800 48.635 290.802 20.697 -82.00215      52.85586 
1 1 1 0   35 7  o 326.961 16.640 22.795  2.2965 25.984  2.9972  18.261  3.5739 348.558 20.393 290.220 29.488 58.33844       35.85263 
1 1 1 0   35 8  o 286.276 16.846 17.493  2.0333 16.407  2.5867  19.250  3.2894 276.366 22.291 298.728 26.269 -22.36249      34.45212 
1 1 1 0   35 9  o 238.325 18.446 12.166  1.8473 10.732  2.3970  14.264  2.8988 222.432 25.933 256.608 27.084 -34.17529      37.49778 
1 1 1 0   35 10 o 98.223  28.809 2.1088  1.2763 3.0073  1.9405  1.4238  1.6943 117.511 35.780 90.825  33.453 26.68604       48.98318 
1 1 1 0   35 11 o 240.079 18.696 12.357  1.8858 8.7356  2.7668  15.499  2.5772 198.317 34.178 268.287 22.902 -69.97052      41.14208 
1 1 1 0   35 12 o 188.208 21.497 7.6691  1.6826 8.0918  2.6381  7.3791  2.1847 190.522 33.940 182.894 29.188 7.628052       44.76491 
1 1 1 0   35 13 o 198.220 28.333 8.6420  2.3107 8.9697  2.9221  8.0949  3.7750 199.963 35.823 186.954 47.565 13.00883       59.54550 
1 1 1 0   35 14 o 134.881 33.919 4.1262  1.9356 4.1262  1.9356  0.0000  0.0000 134.881 33.919 ?       ?      0.000000       33.91911 
1 1 1 0   35 15 o 153.388 23.985 5.1859  1.5070 3.2377  2.2032  6.8988  2.0659 121.247 38.327 176.154 28.680 -54.90702      47.86947 
1 1 1 0   35 16 o 95.967  33.482 1.8402  1.6726 0.0000  0.0000  1.8402  1.6726 ?       ?      95.967  33.482 0.000000       33.48154 
1 1 1 0   35 17 o 196.593 27.766 8.5721  2.2473 0.0000  0.0000  8.5721  2.2473 ?       ?      196.593 27.766 0.000000       27.76557 
1 1 1 0   35 18 o 416.750 16.886 37.226  2.9801 30.303  4.5685  42.353  3.9318 370.481 29.359 443.085 20.954 -72.60431      36.06942 
1 1 1 0   35 19 o 297.227 18.809 19.117  2.3553 19.061  3.4820  19.164  3.1980 292.828 28.437 294.811 25.876 -1.982513      38.44790 
1 1 1 0   35 20 o 207.084 26.497 9.5850  2.2705 7.1923  2.8688  13.596  3.7145 173.412 39.894 241.507 37.537 -68.09485      54.77771 
1 1 1 0   35 21 o 167.885 29.754 6.4548  2.0380 6.0915  2.4735  7.2228  3.5962 159.978 37.212 169.822 47.918 -9.844116      60.67009 
1 1 1 0   35 22 o 381.764 18.481 31.626  2.9878 31.205  4.4910  31.960  4.0020 371.990 28.731 379.241 25.060 -7.251373      38.12404 
1 1 1 0   35 23 o 112.081 31.794 2.9660  1.5788 2.8916  2.0932  3.0642  2.4047 111.755 37.498 115.410 40.152 -3.654556      54.93876 
1 1 1 0   35 24 o 94.392  43.431 -1.5332 3.9953 0.0000  0.0000  -1.5332 3.9953 ?       ?      94.392  43.431 0.000000       43.43127 
1 1 1 0   36 0  o 755.182 17.542 121.050 5.6103 131.533 8.2548  112.052 7.6481 786.255 24.791 725.687 24.886 60.56830       35.12746 
1 1 1 0   36 1  o 309.965 14.690 20.413  1.9283 18.393  2.9882  21.855  2.5242 292.378 24.355 319.849 18.717 -27.47168      30.71637 
1 1 1 0   36 2  o 332.095 13.949 23.425  1.9617 20.536  2.9646  25.675  2.6165 309.330 22.791 346.887 17.872 -37.55643      28.96256 
1 1 1 0   36 3  o 423.100 12.784 38.005  2.2907 34.939  3.3748  40.623  3.1193 404.953 19.679 437.013 16.854 -32.05994      25.91008 
1 1 1 0   36 4  o 674.954 14.135 96.776  4.0404 95.375  4.9840  99.463  6.9009 669.457 17.580 682.214 23.886 -12.75690      29.65777 
1 1 1 0   36 5  o 550.519 14.474 64.395  3.3744 58.850  4.1517  75.188  5.7922 525.689 18.649 593.302 23.053 -67.61279      29.65157 
1 1 1 0   36 6  o 204.989 26.226 9.1407  2.2245 3.7855  3.9286  11.668  2.6988 141.373 51.110 231.596 28.092 -90.22272      58.32160 
1 1 1 0   36 7  o 249.160 22.931 13.371  2.3924 10.162  4.3904  14.726  2.8532 210.664 49.968 260.951 26.171 -50.28673      56.40671 
1 1 1 0   36 8  o 386.400 15.696 31.750  2.5684 32.681  3.9610  31.074  3.3739 390.180 24.089 381.065 20.988 9.114777       31.94947 
1 1 1 0   36 9  o 143.269 24.066 4.5080  1.4084 2.7870  2.2027  5.6981  1.8317 115.832 38.459 160.686 27.931 -44.85343      47.53125 
1 1 1 0   36 10 o 125.999 25.766 3.5261  1.3285 0.6511  1.9010  6.2707  1.8573 84.043  34.142 168.903 26.866 -84.86036      43.44513 
1 1 1 0   36 11 o 582.507 17.934 72.353  4.4240 63.643  5.8345  84.135  6.7855 544.438 25.305 625.883 25.600 -81.44586      35.99618 
1 1 1 0   36 12 o 235.139 25.225 12.022  2.4726 10.122  3.0858  15.429  4.1329 212.740 35.502 262.767 38.263 -50.02698      52.19651 
1 1 1 0   36 13 o 164.736 33.489 6.1260  2.2567 5.0849  2.6636  8.7744  4.2484 149.043 40.943 193.073 51.144 -44.03079      65.51373 
1 1 1 0   36 14 o 121.835 38.920 3.2579  2.2673 0.0000  0.0000  3.2579  2.2673 ?       ?      121.835 38.920 0.000000       38.91986 
1 1 1 0   36 15 o 104.089 33.721 2.3342  1.6975 0.0000  0.0000  2.3342  1.6975 ?       ?      104.089 33.721 0.000000       33.72083 
1 1 1 0   36 16 o 198.865 28.866 8.7993  2.3600 0.0000  0.0000  8.7993  2.3600 ?       ?      198.865 28.866 0.000000       28.86571 
1 1 1 0   36 17 o 61.347  25.707 0.1708  1.1235 1.7893  1.6233  -1.3175 1.5566 94.278  32.979 57.167  26.584 37.11036       42.35923 
1 1 1 0   36 18 o 125.374 25.543 3.5506  1.3101 5.6568  1.8528  1.4444  1.8528 158.069 28.737 91.597  34.725 66.47189       45.07368 
1 1 1 0   36 19 o 349.361 19.782 26.507  2.9148 25.648  3.8727  27.630  4.4270 339.928 27.128 351.084 30.065 -11.15610      40.49506 
1 1 1 0   36 20 o 287.317 22.314 18.120  2.6938 15.325  3.3872  22.930  4.4436 259.605 31.451 316.680 33.650 -57.07480      46.05922 
1 1 1 0   36 21 o 145.775 28.055 4.8812  1.6691 3.8628  2.1251  6.5209  2.6966 127.312 37.127 163.995 39.334 -36.68281      54.08876 
1 1 1 0   36 22 o 97.254  30.042 2.1695  1.3621 4.4505  1.6786  -2.2272 2.3305 137.905 29.626 66.510  31.431 71.39503       43.19283 
1 1 1 0   36 23 o 259.755 21.151 14.921  2.3065 10.548  3.3492  18.866  3.1811 207.371 39.581 289.080 26.272 -81.70857      47.50660 
1 1 1 0   37 1  o 430.816 15.374 39.458  2.8049 38.903  3.6939  40.213  4.3105 427.125 20.421 433.129 23.589 -6.004211      31.20039 
1 1 1 0   37 2  o 224.093 21.536 10.813  2.0186 13.367  2.8107  8.0939  2.9009 248.271 27.177 190.160 37.355 58.11189       46.19479 
1 1 1 0   37 3  o 470.177 14.695 46.982  2.9261 43.478  3.6884  52.932  4.8062 451.704 19.282 497.775 22.800 -46.07056      29.85972 
1 1 1 0   37 4  o 86.537  30.561 1.4128  1.3963 2.7851  1.7846  -0.7529 2.2419 113.121 34.285 77.216  34.291 35.90536       48.49009 
1 1 1 0   37 5  o 375.598 13.369 29.965  2.1264 34.069  3.1695  26.605  2.8676 399.900 18.715 352.813 19.265 47.08780       26.85899 
1 1 1 0   37 6  o 504.835 24.488 54.539  5.2352 0.0000  0.0000  54.539  5.2352 ?       ?      504.835 24.488 0.000000       24.48751 
1 1 1 0   37 7  o 582.169 17.335 72.159  4.2738 72.715  5.9305  71.559  6.1643 582.942 24.023 577.989 25.184 4.952698       34.80391 
1 1 1 0   37 8  o 628.451 17.540 84.123  4.6683 75.883  6.3477  93.830  6.8894 595.025 25.190 661.846 24.580 -66.82104      35.19559 
1 1 1 0   37 9  o 267.811 18.609 15.368  2.0975 15.410  2.5740  15.286  3.6184 267.359 22.956 263.774 33.123 3.584869       40.30058 
1 1 1 0   37 10 o 227.725 20.421 11.172  1.9485 11.394  2.3595  10.698  3.4550 229.089 24.712 218.074 38.834 11.01489       46.03018 
1 1 1 0   37 11 o 249.044 18.898 13.328  1.9783 15.550  3.0195  11.657  2.6186 267.187 27.059 230.909 27.307 36.27791       38.44291 
1 1 1 0   37 12 o 241.825 25.309 12.742  2.5535 0.0000  0.0000  12.742  2.5535 ?       ?      241.825 25.309 0.000000       25.30922 
1 1 1 0   37 13 o 259.648 24.676 14.678  2.6808 0.0000  0.0000  14.678  2.6808 ?       ?      259.648 24.676 0.000000       24.67631 
1 1 1 0   37 14 o 229.387 32.368 11.755  3.0569 0.0000  0.0000  11.755  3.0569 ?       ?      229.387 32.368 0.000000       32.36772 
1 1 1 0   37 15 o 80.579  28.349 1.2651  1.2003 1.3199  1.6315  1.2004  1.7722 87.439  32.705 87.798  33.797 -0.3589401     47.03092 
1 1 1 0   37 16 o 154.044 21.862 5.2208  1.3862 8.4493  1.9883  2.1675  1.9336 195.893 24.504 102.991 35.995 92.90232       43.54379 
1 1 1 0   37 17 o 219.891 19.605 10.506  1.8065 9.9526  2.6493  10.987  2.4697 210.180 30.668 222.551 26.740 -12.37131      40.68835 
1 1 1 0   37 18 o 273.302 20.269 16.268  2.3293 14.205  3.0281  19.259  3.6453 251.658 28.940 292.987 29.794 -41.32924      41.53521 
1 1 1 0   37 19 o 75.090  29.618 0.7924  1.3881 1.6213  1.8666  -0.2331 2.0763 93.414  34.974 76.340  33.486 17.07416       48.42001 
1 1 1 0   37 20 o 258.397 20.178 14.608  2.1906 13.538  3.1467  15.614  3.0514 243.346 31.257 263.534 27.759 -20.18802      41.80354 
1 1 1 0   37 21 o 133.904 30.269 4.2097  1.6761 4.0581  2.2439  4.4011  2.5211 129.363 38.272 133.999 40.779 -4.635803      55.92619 
1 1 1 0   37 22 f 296.022 20.378 19.303  2.5391 17.398  3.6449  21.099  3.5391 273.341 32.099 304.664 27.734 -31.32300      42.42063 
1 1 1 0   37 23 o 354.659 19.043 27.559  2.8498 26.276  4.1804  28.673  3.8951 338.529 29.452 356.728 25.961 -18.19864      39.26109 
1 1 1 0   38 0  o 687.528 26.194 100.706 7.6266 100.706 7.6266  0.0000  0.0000 687.528 26.194 ?       ?      0.000000       26.19374 
1 1 1 0   38 1  o 109.528 41.112 1.9973  2.5825 1.9973  2.5825  0.0000  0.0000 109.528 41.112 ?       ?      0.000000       41.11249 
1 1 1 0   38 2  o 293.487 19.465 18.442  2.4056 17.427  2.9953  20.287  4.0373 284.192 25.147 305.222 31.697 -21.02930      40.46090 
1 1 1 0   38 3  o 308.172 20.556 20.352  2.6674 19.974  3.4456  20.917  4.2138 303.965 27.049 309.701 32.618 -5.736176      42.37495 
1 1 1 0   38 4  o 357.840 18.252 27.350  2.7567 26.709  3.9379  27.966  3.8605 351.900 26.621 360.403 25.457 -8.503357      36.83411 
1 1 1 0   38 5  o 119.173 36.335 3.1011  2.0001 5.4263  2.4753  -1.2731 3.3951 154.979 38.005 93.525  41.821 61.45338       56.50998 
1 1 1 0   38 6  o 422.075 16.536 37.924  2.9557 34.726  3.5925  44.624  5.1999 402.668 21.141 455.033 27.107 -52.36508      34.37630 
1 1 1 0   38 7  o 154.784 30.420 5.3411  1.9229 5.5180  2.3746  5.0041  3.2773 156.271 36.536 150.202 46.635 6.069107       59.24250 
1 1 1 0   38 8  o 298.733 15.481 19.048  1.9518 17.257  3.0914  20.235  2.5170 282.172 26.168 307.235 19.445 -25.06244      32.60156 
1 1 1 0   38 9  o 234.081 20.028 11.800  1.9663 -4.4435 4.8594  14.980  2.1502 98.364  46.141 264.076 19.362 -165.7127      50.03870 
1 1 1 0   38 10 o 300.486 18.547 19.369  2.3486 9.9661  5.3060  21.660  2.6192 204.490 58.382 317.600 19.569 -113.1096      61.57452 
1 1 1 0   38 11 o 147.448 45.370 4.9358  3.1100 0.0000  0.0000  4.9358  3.1100 ?       ?      147.448 45.370 0.000000       45.37036 
1 1 1 0   38 12 o 624.999 19.925 83.806  5.2737 0.0000  0.0000  83.806  5.2737 ?       ?      624.999 19.925 0.000000       19.92469 
1 1 1 0   38 13 o 217.473 20.876 10.262  1.8990 4.3907  3.0871  13.836  2.4087 139.788 45.487 252.277 22.791 -112.4888      50.87783 
1 1 1 0   38 14 o 80.076  30.715 0.9960  1.4603 1.4292  2.1134  0.6003  2.0200 95.408  36.857 84.533  34.864 10.87451       50.73388 
1 1 1 0   38 15 o 204.136 20.579 9.0683  1.7548 7.5690  2.5559  10.405  2.4135 181.920 34.436 216.880 26.851 -34.96019      43.66735 
1 1 1 0   38 16 o 203.353 20.134 9.0082  1.7111 4.4680  2.3937  13.752  2.4468 138.157 39.133 250.597 23.324 -112.4403      45.55690 
1 1 1 0   38 17 o 445.027 18.696 42.764  3.5235 38.938  4.6876  47.735  5.3424 419.837 26.501 464.431 27.283 -44.59375      38.03457 
1 1 1 0   38 18 o 314.319 19.493 21.500  2.5819 19.369  3.3884  24.449  3.9869 294.369 27.499 330.169 28.802 -35.80011      39.82153 
1 1 1 0   38 19 o 169.827 22.496 6.4125  1.5781 6.2891  2.2783  6.5263  2.1879 163.544 34.005 167.561 32.000 -4.017059      46.69377 
1 1 1 0   38 20 o 202.646 21.216 9.0810  1.7937 10.767  2.5156  7.3375  2.5584 217.644 27.938 175.324 35.672 42.32008       45.30986 
1 1 1 0   38 21 o 230.180 21.517 11.758  2.0731 9.5078  2.9699  13.895  2.8952 198.421 36.695 246.515 28.242 -48.09305      46.30460 
1 1 1 0   38 22 f 347.850 18.996 26.531  2.7877 23.934  4.0356  28.902  3.8553 322.309 29.907 358.203 25.583 -35.89346      39.35613 
1 1 1 0   39 1  o 233.397 21.631 11.737  2.1137 0.0000  0.0000  11.737  2.1137 ?       ?      233.397 21.631 0.000000       21.63090 
1 1 1 0   39 2  o 532.750 17.121 60.447  3.8627 0.0000  0.0000  60.447  3.8627 ?       ?      532.750 17.121 0.000000       17.12093 
1 1 1 0   39 3  o 192.736 22.727 8.0539  1.8193 7.7255  4.4508  8.1197  1.9935 183.607 53.784 193.074 24.965 -9.466721      59.29587 
1 1 1 0   39 4  o 766.568 15.143 125.018 4.9159 115.123 8.8138  129.486 5.9227 731.249 28.461 779.403 17.944 -48.15381      33.64559 
1 1 1 0   39 5  o 157.784 37.923 5.6440  2.5026 2.0653  3.5692  9.1049  3.5100 121.031 47.571 199.944 42.747 -78.91308      63.95555 
1 1 1 0   39 6  o 394.655 16.963 33.197  2.8352 38.802  5.6874  31.343  3.2705 422.014 32.063 382.425 20.266 39.58914       37.93083 
1 1 1 0   39 7  o 76.462  32.486 0.0905  1.8348 4.2469  4.1588  -0.9140 2.0445 146.016 52.617 71.664  32.219 74.35223       61.69778 
1 1 1 0   39 8  o 154.687 31.471 5.3770  1.9915 5.0478  4.8244  5.4446  2.1864 156.998 56.657 155.086 34.209 1.911835       66.18362 
1 1 1 0   39 9  o 305.715 19.904 20.100  2.5629 10.297  6.0004  22.287  2.8344 206.627 62.920 321.733 20.916 -115.1067      66.30515 
1 1 1 0   39 10 o 385.898 14.674 31.749  2.3981 27.425  3.3461  36.315  3.4387 356.418 22.280 411.587 19.728 -55.16873      29.75907 
1 1 1 0   39 11 o 607.227 15.276 78.709  3.9284 75.490  6.4263  80.629  4.9638 590.351 25.705 613.197 19.115 -22.84613      32.03282 
1 1 1 0   39 12 o 191.393 26.831 8.1076  2.1150 10.269  2.6100  3.9750  3.6093 214.939 29.448 137.529 49.075 77.40918       57.23209 
1 1 1 0   39 13 o 221.035 18.931 10.568  1.7550 11.418  2.6110  9.8676  2.3703 227.198 27.711 211.183 27.130 16.01535       38.78078 
1 1 1 0   39 14 o 441.917 18.563 41.972  3.4741 43.244  4.6937  40.430  5.1664 445.264 24.993 428.534 28.633 16.72964       38.00640 
1 1 1 0   39 15 o 81.338  29.644 1.2288  1.3254 3.3108  2.1347  -0.0772 1.6908 120.640 37.667 70.955  30.680 49.68497       48.58057 
1 1 1 0   39 16 o 116.875 29.889 3.1501  1.4852 1.0916  1.8552  6.8248  2.4786 86.736  34.231 170.906 35.410 -84.17033      49.25053 
1 1 1 0   39 17 o 202.619 22.142 9.0612  1.8690 8.5598  2.3845  9.8597  3.0096 193.660 30.049 205.155 35.951 -11.49455      46.85521 
1 1 1 0   39 18 o 116.361 26.690 3.1157  1.2872 3.1015  1.7564  3.1321  1.8921 115.181 33.799 115.832 35.345 -0.6507416     48.90462 
1 1 1 0   39 19 o 153.498 23.198 5.2904  1.4609 4.4941  2.0614  6.0939  2.0707 136.904 35.321 161.519 31.404 -24.61435      47.26255 
1 1 1 0   39 20 o 248.809 18.498 13.562  1.9352 11.109  2.7580  15.941  2.7161 218.805 30.601 266.733 24.312 -47.92842      39.08351 
1 1 1 0   39 21 o 107.606 30.682 2.7452  1.4665 2.5692  1.9071  2.9997  2.2937 105.486 35.791 113.148 39.223 -7.661926      53.09856 
1 1 1 0   39 22 o 100.231 35.246 2.2376  1.8553 0.2111  2.0798  10.134  4.1055 78.970  34.086 193.991 49.738 -115.0208      60.29739 
1 1 1 0   40 0  o 820.085 18.543 142.957 6.4399 148.897 9.3907  137.683 8.8484 835.263 26.548 803.321 26.010 31.94177       37.16562 
1 1 1 0   40 1  o 695.756 12.973 102.891 3.8225 102.087 5.6315  103.577 5.2053 691.467 19.231 696.956 17.636 -5.489014      26.09338 
1 1 1 0   40 2  o 108.942 33.173 2.5935  1.6679 -0.1504 2.8382  4.0409  2.0614 92.215  39.811 133.858 35.706 -41.64249      53.47784 
1 1 1 0   40 3  o 190.835 20.582 7.8758  1.6370 5.5727  2.3075  10.210  2.3228 156.940 35.544 216.420 25.856 -59.47987      43.95311 
1 1 1 0   40 4  o 166.370 23.025 6.0449  1.5787 7.2952  2.1217  4.4939  2.3631 181.762 28.501 140.837 38.513 40.92537       47.91172 
1 1 1 0   40 5  f 221.066 30.297 10.774  2.7618 9.0696  4.4114  11.872  3.5417 196.640 52.129 229.955 37.674 -33.31561      64.31770 
1 1 1 0   40 6  o 59.742  26.953 -0.7205 1.4455 1.5142  2.0889  -2.7740 2.0024 96.894  36.837 58.582  28.087 38.31285       46.32329 
1 1 1 0   40 7  o 471.340 13.920 47.309  2.7785 47.315  3.9846  47.303  3.8765 469.954 20.021 470.041 19.474 -0.8697510E-01 27.93007 
1 1 1 0   40 8  f 112.369 31.112 2.8402  1.5311 2.6276  2.2978  3.0100  2.0534 113.284 39.258 117.089 37.000 -3.805275      53.94636 
1 1 1 0   40 9  o 493.916 14.057 52.003  2.9404 46.073  4.2766  57.319  4.0493 462.731 21.823 517.294 18.484 -54.56277      28.59952 
1 1 1 0   40 10 o 272.490 17.470 15.961  2.0053 18.511  3.0044  13.912  2.6930 291.497 24.567 252.123 25.576 39.37350       35.46341 
1 1 1 0   40 11 o 84.379  30.799 1.3040  1.4316 1.6280  2.0738  1.0091  1.9786 97.359  36.778 88.474  35.213 8.885307       50.91766 
1 1 1 0   40 12 o 155.073 27.075 5.3864  1.7134 6.1272  2.5061  4.7362  2.3478 162.499 37.218 142.736 38.121 19.76265       53.27618 
1 1 1 0   40 13 o 484.076 15.395 50.145  3.1560 49.264  4.8989  50.771  4.1265 475.460 24.412 485.300 20.078 -9.839966      31.60845 
1 1 1 0   40 14 o 295.324 20.132 18.921  2.5028 22.847  3.4172  14.377  3.6760 322.536 25.218 250.789 35.612 71.74713       43.63679 
1 1 1 0   40 15 o 75.527  29.875 0.7754  1.4160 2.1310  2.0666  -0.4243 1.9442 102.692 37.078 72.448  32.065 30.24407       49.01945 
1 1 1 0   40 16 o 118.888 28.726 3.2702  1.4301 2.2070  2.1809  4.0723  1.8943 104.161 38.016 131.451 33.830 -27.28997      50.88889 
1 1 1 0   40 17 o 219.055 19.574 10.506  1.7967 8.9908  2.6230  11.845  2.4661 196.897 32.598 230.059 25.754 -33.16162      41.54366 
1 1 1 0   40 18 o 50.836  23.026 -0.5271 1.0670 0.3476  1.4553  -1.5438 1.5690 70.077  29.303 55.157  25.981 14.92010       39.16275 
1 1 1 0   40 19 o 230.942 19.368 11.729  1.8767 8.4823  2.6697  14.901  2.6387 188.464 34.730 257.772 24.465 -69.30836      42.48159 
1 1 1 0   40 20 o 228.076 19.800 11.496  1.8935 15.246  2.8035  8.3512  2.5676 259.241 25.882 186.825 33.692 72.41611       42.48573 
1 1 1 0   40 21 o 79.510  31.109 1.0424  1.5205 1.9691  1.6989  -2.6877 3.4085 94.987  33.693 80.434  38.012 14.55382       50.79514 
1 1 1 0   41 1  o 258.980 17.755 14.389  1.9355 15.913  3.0657  13.379  2.4958 270.166 27.163 248.319 24.034 21.84727       36.26935 
1 1 1 0   41 2  o 412.209 14.355 36.183  2.5060 35.181  3.7669  36.979  3.3564 404.326 22.083 415.821 19.060 -11.49493      29.17095 
1 1 1 0   41 3  o 529.507 13.526 59.677  3.0331 63.461  4.5167  56.568  4.0935 544.498 19.587 514.297 18.795 30.20032       27.14605 
1 1 1 0   41 4  o 370.749 15.501 29.311  2.4339 28.779  3.6524  29.736  3.2642 364.908 23.764 371.822 20.814 -6.914490      31.59040 
1 1 1 0   41 5  o 404.518 22.153 35.273  3.7806 36.970  5.8690  34.069  4.9426 409.281 34.173 394.729 29.787 14.55197       45.33306 
1 1 1 0   41 6  o 273.829 17.287 16.093  1.9944 16.095  2.9558  16.092  2.7023 271.560 26.020 272.231 23.675 -0.6716614     35.17907 
1 1 1 0   41 7  o 400.768 14.750 34.264  2.5033 34.251  3.6095  34.277  3.4749 398.486 21.468 398.914 20.640 -0.4277954     29.78053 
1 1 1 0   41 8  o 270.223 16.596 15.675  1.8900 15.720  2.7822  15.636  2.5754 268.411 24.755 268.258 22.889 0.1534119      33.71523 
1 1 1 0   41 9  o 309.623 16.394 20.568  2.1420 20.057  3.2191  20.974  2.8695 303.025 25.317 311.091 21.921 -8.066895      33.48798 
1 1 1 0   41 10 o 172.391 24.953 6.5767  1.7687 5.9840  2.8025  6.9691  2.2802 159.646 41.181 175.362 31.878 -15.71660      52.07782 
1 1 1 0   41 11 o 617.537 13.964 81.438  3.6519 68.339  5.2438  93.774  5.0887 562.173 22.026 660.716 18.187 -98.54315      28.56378 
1 1 1 0   41 12 o 283.438 18.616 17.357  2.2221 15.457  3.3653  18.825  2.9589 262.869 30.815 293.340 24.029 -30.47116      39.07606 
1 1 1 0   41 13 o 210.120 23.509 9.7222  2.0560 6.7010  2.8602  12.953  2.9576 167.832 40.669 240.383 29.684 -72.55104      50.34924 
1 1 1 0   41 14 o 234.968 30.248 12.481  2.9400 12.481  2.9400  0.0000  0.0000 234.968 30.248 ?       ?      0.000000       30.24810 
1 1 1 0   41 15 o 185.925 21.178 7.6242  1.6377 5.5429  2.4919  9.2068  2.1729 151.664 38.677 202.651 25.913 -50.98718      46.55505 
1 1 1 0   41 16 o 306.061 17.802 20.344  2.2974 15.987  3.3953  24.023  3.1201 264.561 30.886 330.305 22.439 -65.74344      38.17600 
1 1 1 0   41 17 o 98.854  27.828 2.2553  1.2143 2.3146  1.7626  2.2018  1.6754 101.896 34.409 99.579  33.547 2.316658       48.05617 
1 1 1 0   41 18 o 164.165 22.311 6.0418  1.5109 5.4749  2.1791  6.5666  2.0967 150.605 34.856 167.429 30.703 -16.82408      46.45020 
1 1 1 0   41 19 o 158.328 25.395 5.7463  1.6452 4.3639  2.3172  7.1516  2.3363 132.230 38.828 172.816 33.128 -40.58597      51.03999 
1 1 1 0   41 20 o 235.594 24.012 12.530  2.3622 13.779  2.8503  9.7884  4.2212 244.520 28.032 187.786 51.524 56.73390       58.65587 
1 1 1 0   42 0  o 409.273 20.123 35.701  3.4878 39.735  5.2754  32.568  4.6488 429.287 29.191 388.647 28.442 40.63965       40.75652 
1 1 1 0   42 1  o 246.006 18.483 13.028  1.9115 14.943  2.8669  11.494  2.5649 261.518 26.240 228.823 26.987 32.69469       37.64113 
1 1 1 0   42 2  o 522.230 13.532 58.098  2.9928 55.741  4.4708  60.012  4.0286 509.470 20.721 529.547 17.964 -20.07684      27.42434 
1 1 1 0   42 3  o 291.434 16.902 18.218  2.0771 17.649  3.2624  18.605  2.6937 283.871 27.481 293.289 21.844 -9.417847      35.10519 
1 1 1 0   42 4  o 227.864 23.019 11.304  2.1908 13.378  2.9464  8.7406  3.2763 246.292 28.792 194.294 41.102 51.99873       50.18280 
1 1 1 0   42 5  o 354.512 18.218 27.000  2.7258 24.695  5.4418  27.772  3.1494 330.252 39.705 358.776 20.818 -28.52466      44.83140 
1 1 1 0   42 6  o 238.792 19.066 12.315  1.9120 13.747  2.8790  11.184  2.5574 249.809 27.679 225.139 27.387 24.67047       38.93785 
1 1 1 0   42 7  o 132.455 29.446 3.9838  1.6090 0.3988  2.2679  7.6166  2.2830 86.584  36.416 184.166 30.328 -97.58160      47.39053 
1 1 1 0   42 8  o 136.680 28.026 4.2229  1.5677 6.7337  2.4023  2.3604  2.0691 171.477 34.280 106.943 37.242 64.53432       50.61721 
1 1 1 0   42 9  o 230.144 18.666 11.458  1.8036 8.4119  2.6249  14.182  2.4823 192.264 33.454 254.807 23.260 -62.54320      40.74557 
1 1 1 0   42 10 o 75.064  30.716 0.5232  1.5526 3.1237  2.7124  -0.7441 1.8935 121.295 42.619 69.129  31.049 52.16557       52.72944 
1 1 1 0   42 11 o 156.205 29.035 5.5320  1.8500 3.7786  2.2488  9.2031  3.2539 127.835 38.428 197.826 40.211 -69.99023      55.62014 
1 1 1 0   42 12 o 265.669 22.709 15.461  2.5304 11.839  3.2117  21.391  4.1088 227.243 34.453 308.110 31.954 -80.86655      46.99043 
1 1 1 0   42 13 o 111.548 30.313 2.8752  1.4693 4.0733  2.4760  2.2238  1.8255 131.266 40.498 101.777 35.008 29.48868       53.53169 
1 1 1 0   42 14 o 219.283 25.075 10.736  2.2867 8.6613  2.7813  15.063  4.0169 191.781 35.554 252.013 38.889 -60.23152      52.69253 
1 1 1 0   42 15 o 102.123 30.434 2.4039  1.4151 1.4032  2.2101  3.0991  1.8422 94.172  37.300 114.916 34.833 -20.74394      51.03561 
1 1 1 0   42 16 o 253.396 18.813 14.037  2.0044 11.316  3.0777  16.041  2.6414 219.589 34.210 268.711 23.447 -49.12129      41.47388 
1 1 1 0   42 17 f 74.538  29.283 0.8484  1.3519 1.0060  2.0432  0.7257  1.8030 86.825  35.348 80.198  32.991 6.627678       48.35198 
1 1 1 0   42 18 o 90.705  32.594 1.7441  1.5948 0.8653  1.7547  5.9192  3.8246 80.637  32.785 148.318 50.683 -67.68056      60.36230 
1 1 1 0   42 19 o 139.774 30.170 4.6595  1.7335 5.0059  1.8778  2.6629  4.5084 144.280 31.607 121.415 51.219 22.86480       60.18625 
1 1 1 0   42 20 o 230.256 19.330 11.728  1.8675 12.348  2.7359  11.187  2.5554 230.685 28.619 219.795 28.096 10.88947       40.10567 
1 1 1 0   43 1  o 121.435 31.082 3.3585  1.6052 3.0215  2.4608  3.6080  2.1178 119.115 40.654 125.932 37.160 -6.816689      55.07846 
1 1 1 0   43 2  o 347.873 15.438 25.861  2.2744 26.694  3.5206  25.265  2.9795 350.452 23.864 342.010 20.669 8.442627       31.57027 
1 1 1 0   43 3  o 257.068 18.209 14.244  1.9695 19.769  3.1088  10.540  2.5454 301.046 24.600 218.073 28.224 82.97218       37.43996 
1 1 1 0   43 4  o 316.191 16.740 21.468  2.2336 22.030  3.5119  21.086  2.8945 317.104 26.391 311.772 22.065 5.332428       34.40024 
1 1 1 0   43 5  o 279.819 19.748 16.929  2.3251 14.385  4.7481  17.732  2.6668 246.211 47.256 285.635 22.221 -39.42403      52.21980 
1 1 1 0   43 6  o 234.923 19.994 11.969  1.9702 11.658  3.1247  12.175  2.5384 227.121 33.492 235.092 25.927 -7.971176      42.35489 
1 1 1 0   43 7  o 139.272 26.847 4.3708  1.5260 5.8436  2.2029  3.0119  2.1160 159.413 33.685 116.406 37.643 43.00700       50.51394 
1 1 1 0   43 8  o 118.368 29.285 3.2024  1.4599 4.1740  2.1504  2.3717  1.9884 133.986 36.780 106.105 36.534 27.88104       51.84130 
1 1 1 0   43 9  o 208.372 22.682 9.5270  1.9692 8.1023  2.5071  11.821  3.1816 188.484 32.588 227.855 34.013 -39.37090      47.10490 
1 1 1 0   43 10 o 388.048 17.714 32.408  2.9111 26.855  3.7327  41.029  4.6508 349.449 25.397 432.207 25.522 -82.75778      36.00532 
1 1 1 0   43 11 o 493.954 16.867 52.505  3.5283 47.408  4.2866  63.212  6.2131 466.938 21.678 534.280 27.553 -67.34235      35.05850 
1 1 1 0   43 12 o 111.045 33.170 2.8502  1.6794 2.9261  2.4609  2.7840  2.2977 115.479 40.593 112.658 39.245 2.821396       56.46251 
1 1 1 0   43 13 o 154.607 27.602 5.4688  1.7409 7.2853  2.8806  4.4235  2.1851 172.960 40.107 135.699 37.003 37.26160       54.56961 
1 1 1 0   43 14 o 325.096 17.162 22.934  2.3544 21.899  3.6014  23.706  3.1114 311.799 27.558 327.695 22.558 -15.89670      35.61299 
1 1 1 0   43 15 o 298.777 17.657 19.431  2.2242 16.105  3.3938  21.935  2.9447 264.606 30.866 315.064 22.212 -50.45712      38.02733 
1 1 1 0   43 16 o 256.031 24.734 14.735  2.6485 9.8117  3.2390  24.668  4.6006 199.491 39.735 324.043 34.033 -124.5516      52.31769 
1 1 1 0   43 17 o 77.546  32.569 0.5232  1.8101 0.1696  2.0717  1.6640  3.7209 78.249  33.897 109.439 46.369 -31.19034      57.43740 
1 1 1 0   43 18 o 77.861  32.576 0.5923  1.7999 -0.0001 2.0592  2.5105  3.7054 76.239  33.397 114.993 47.298 -38.75420      57.90057 
1 1 1 0   43 19 o 221.505 27.773 11.366  2.5480 0.0000  0.0000  11.366  2.5480 ?       ?      221.505 27.773 0.000000       27.77284 
1 1 1 0   44 0  o 550.681 18.668 64.704  4.3535 65.808  6.3924  63.748  5.9453 552.974 27.297 544.727 25.772 8.247070       37.54128 
1 1 1 0   44 1  o 112.433 32.557 2.8692  1.6393 4.1685  2.4606  1.8325  2.1981 134.277 40.159 101.063 37.930 33.21460       55.23994 
1 1 1 0   44 2  o 136.316 28.963 4.2232  1.6204 2.6675  2.7106  5.0885  2.0214 116.022 42.376 148.800 32.948 -32.77801      53.67762 
1 1 1 0   44 3  o 310.805 18.494 20.840  2.4232 22.140  4.9305  20.426  2.7824 311.420 38.185 306.679 21.561 4.741669       43.85163 
1 1 1 0   44 4  o 460.423 14.124 45.300  2.7539 46.947  4.1682  44.024  3.6687 466.104 21.117 452.168 19.159 13.93600       28.51265 
1 1 1 0   44 5  o 264.277 19.972 15.148  2.2187 16.849  4.6532  14.647  2.5241 268.532 42.319 258.752 23.284 9.780212       48.30185 
1 1 1 0   44 6  o 196.206 21.801 8.4339  1.7808 7.5223  2.9047  8.9830  2.2542 178.835 39.415 200.773 27.213 -21.93848      47.89688 
1 1 1 0   44 7  o 187.219 25.715 7.7954  1.9850 8.4804  2.5080  6.6467  3.2475 193.134 31.768 165.941 45.053 27.19249       55.12701 
1 1 1 0   44 8  o 270.031 19.866 15.841  2.2558 16.961  2.9700  14.313  3.4679 277.217 25.587 250.870 33.477 26.34782       42.13555 
1 1 1 0   44 9  o 150.953 30.272 5.2315  1.8678 5.6795  2.4381  4.5950  2.9061 154.859 37.563 139.214 44.019 15.64539       57.86739 
1 1 1 0   44 10 o 270.612 18.004 15.883  2.0515 14.636  3.3141  16.658  2.6121 253.623 31.537 275.317 22.603 -21.69438      38.80057 
1 1 1 0   44 11 o 206.449 21.929 9.4156  1.8879 10.358  2.9044  8.7258  2.4843 211.145 33.607 194.664 31.188 16.48053       45.84923 
1 1 1 0   44 12 o 577.587 15.535 71.910  3.8000 72.420  6.0623  71.580  4.8770 571.612 25.043 572.857 20.103 -1.245300      32.11404 
1 1 1 0   44 13 o 80.830  31.528 1.0464  1.5581 -2.8916 2.3057  4.3559  2.1137 62.673  30.072 134.271 36.303 -71.59784      47.14064 
1 1 1 0   44 14 o 238.549 23.860 12.718  2.3781 14.116  3.1430  10.847  3.6372 247.389 30.656 208.741 42.587 38.64772       52.47327 
1 1 1 0   44 15 o 212.210 25.472 10.209  2.2434 9.0631  2.6656  12.991  4.1536 195.314 33.429 225.512 45.068 -30.19783      56.11283 
1 1 1 0   44 16 o 152.044 30.942 5.5136  1.9246 3.4362  2.2304  11.569  3.8079 118.393 38.671 211.746 43.906 -93.35380      58.50747 
1 1 1 0   44 17 o 91.293  29.794 1.9159  1.3240 1.8847  2.0748  1.9373  1.7197 96.252  36.685 94.095  33.843 2.156479       49.91084 
1 1 1 0   44 18 o 60.571  27.336 -0.5296 1.4882 0.0000  0.0000  -0.5296 1.4882 ?       ?      60.571  27.336 0.000000       27.33577 
1 1 1 0   45 1  f 356.573 14.564 27.206  2.1992 30.901  3.3760  24.482  2.8986 377.263 21.217 335.967 20.471 41.29639       29.48216 
1 1 1 0   45 2  o 157.599 25.518 5.5539  1.6449 3.2779  2.7349  6.8438  2.0589 122.897 42.817 174.141 28.934 -51.24368      51.67624 
1 1 1 0   45 3  o 361.596 15.396 28.018  2.3576 30.066  3.5861  26.459  3.1288 371.262 22.921 348.915 21.276 22.34714       31.27333 
1 1 1 0   45 4  o 83.628  36.446 -0.1467 2.4246 -0.1467 2.4246  0.0000  0.0000 83.628  36.446 ?       ?      0.000000       36.44617 
1 1 1 0   45 5  o 125.501 33.881 3.6590  1.8427 1.0738  2.6070  6.2403  2.6050 97.165  39.785 162.463 38.459 -65.29745      55.33522 
1 1 1 0   45 6  o 137.430 32.122 4.3806  1.8360 0.7616  2.6457  7.7420  2.5498 94.608  39.531 182.953 34.166 -88.34460      52.25021 
1 1 1 0   45 7  o 73.388  31.408 0.1024  1.7378 1.4934  2.4137  -1.3947 2.5040 98.623  39.006 75.529  34.616 23.09319       52.15069 
1 1 1 0   45 8  o 113.691 32.292 2.9990  1.6276 -0.2871 2.7307  4.8098  2.0271 86.718  38.210 143.032 33.970 -56.31358      51.12680 
1 1 1 0   45 9  o 101.645 30.953 2.3609  1.4521 0.4327  2.2612  3.7143  1.8944 85.186  36.123 125.340 34.569 -40.15366      49.99853 
1 1 1 0   45 10 f 426.303 15.892 39.197  2.8690 35.560  4.6559  41.424  3.6428 397.819 27.811 436.095 19.725 -38.27615      34.09573 
1 1 1 0   45 11 f 120.544 29.877 3.4129  1.5175 4.9548  2.1180  1.7864  2.1754 143.549 35.127 97.866  37.500 45.68356       51.38256 
1 1 1 0   45 12 o 471.666 19.189 48.521  3.8330 46.871  5.0851  50.693  5.8328 457.055 26.384 472.309 29.306 -15.25415      39.43286 
1 1 1 0   45 13 o 121.453 34.968 3.5533  1.8959 4.2121  2.2949  2.1370  3.3648 130.934 38.697 111.704 45.407 19.23001       59.65887 
1 1 1 0   45 14 o 139.678 36.204 4.8021  2.1592 0.7924  2.6545  12.642  3.7118 92.160  39.112 225.723 40.308 -133.5623      56.16544 
1 1 1 0   45 15 o 143.229 30.256 4.8968  1.7777 5.1810  2.6903  4.6765  2.3684 141.499 41.917 135.808 39.078 5.691772       57.30707 
1 1 1 0   45 16 o 80.451  31.843 1.0612  1.6098 0.0000  0.0000  1.0612  1.6098 ?       ?      80.451  31.843 0.000000       31.84309 
1 1 1 0   45 17 o 139.523 33.376 4.7951  1.9456 0.0000  0.0000  4.7951  1.9456 ?       ?      139.523 33.376 0.000000       33.37647 
1 1 1 0   46 0  o 151.416 46.965 5.1873  3.3249 5.1873  3.3249  0.0000  0.0000 151.416 46.965 ?       ?      0.000000       46.96488 
1 1 1 0   46 1  o 116.472 41.861 2.8574  2.6307 2.8574  2.6307  0.0000  0.0000 116.472 41.861 ?       ?      0.000000       41.86147 
1 1 1 0   46 2  o 132.479 42.465 4.1059  2.6974 4.1059  2.6974  0.0000  0.0000 132.479 42.465 ?       ?      0.000000       42.46454 
1 1 1 0   46 3  o 327.862 19.746 23.355  2.7288 20.865  3.4894  27.276  4.3786 306.351 27.178 348.857 29.927 -42.50601      40.42632 
1 1 1 0   46 4  o 218.611 32.558 10.945  2.9223 10.945  2.9223  0.0000  0.0000 218.611 32.558 ?       ?      0.000000       32.55839 
1 1 1 0   46 5  o 63.442  28.977 -0.9706 1.7349 -0.1452 2.4106  -1.8574 2.4988 82.825  36.212 72.392  33.670 10.43250       49.44654 
1 1 1 0   46 6  o 157.366 35.969 5.8811  2.3448 3.8195  3.4375  7.6751  3.2066 130.753 47.726 176.713 43.209 -45.96049      64.38023 
1 1 1 0   46 7  o 136.257 39.383 4.4864  2.4007 4.6320  3.4061  4.3426  3.3843 138.705 47.813 135.467 47.605 3.238037       67.47109 
1 1 1 0   46 8  o 105.627 35.658 2.5071  1.8929 4.5895  2.2977  -1.8914 3.3393 137.532 38.125 84.816  39.266 52.71586       54.73016 
1 1 1 0   46 9  o 136.165 33.611 4.4309  1.9264 4.6864  2.3663  3.9289  3.3173 138.318 38.814 129.438 46.940 8.879593       60.90874 
1 1 1 0   46 10 o 139.333 33.365 4.6457  1.9427 2.0354  2.4251  9.3215  3.2457 102.858 39.551 194.247 40.756 -91.38912      56.79203 
1 1 1 0   46 11 o 127.432 34.235 3.9149  1.8869 3.0637  2.3077  5.6322  3.2777 114.656 39.365 147.853 46.749 -33.19656      61.11551 
1 1 1 0   46 12 o 199.424 22.825 8.9132  1.8930 13.378  2.8429  5.3572  2.5373 241.473 28.339 146.216 39.875 95.25688       48.91966 
1 1 1 0   46 13 o 193.713 31.867 8.8979  2.5233 0.0000  0.0000  8.8979  2.5233 ?       ?      193.713 31.867 0.000000       31.86685 
1 1 1 0   46 14 o 120.241 33.986 3.5570  1.8074 0.0000  0.0000  3.5570  1.8074 ?       ?      120.241 33.986 0.000000       33.98613 
1 1 1 0   46 15 o 86.050  34.643 1.1901  1.9380 0.0000  0.0000  1.1901  1.9380 ?       ?      86.050  34.643 0.000000       34.64283 
1 1 1 0   46 16 o 136.992 26.691 4.4200  1.4928 3.7183  2.4753  4.8211  1.8715 120.865 40.776 140.304 32.182 -19.43887      51.94556 
1 1 1 0   47 1  o 397.961 17.801 34.247  3.0000 39.761  3.8883  26.136  4.7158 426.217 21.613 337.646 33.419 88.57074       39.79844 
1 1 1 0   47 2  o 202.129 30.734 9.3707  2.5479 12.640  3.9869  7.1139  3.3127 227.920 42.879 168.726 45.375 59.19337       62.43002 
1 1 1 0   47 3  o 54.705  26.685 -3.4223 2.0150 -6.6154 3.4072  -1.7050 2.4988 67.226  33.173 72.963  33.845 -5.737213      47.39118 
1 1 1 0   47 4  o 245.132 25.733 13.453  2.6316 20.087  4.2099  9.1989  3.3714 294.202 34.441 193.409 42.336 100.7929       54.57586 
1 1 1 0   47 5  o 49.166  24.286 -3.8601 1.8426 -8.1522 3.6372  -2.3782 2.1372 66.070  32.889 62.181  29.593 3.888287       44.24346 
1 1 1 0   47 6  o 260.005 22.589 14.987  2.4625 12.361  3.1783  18.932  3.8951 229.810 33.655 285.778 32.777 -55.96727      46.97868 
1 1 1 0   47 7  o 64.956  30.018 -1.2570 1.9385 -0.3270 2.4789  -2.7210 3.1102 81.353  36.096 76.832  36.310 4.520714       51.19902 
1 1 1 0   47 8  o 184.609 22.114 7.6090  1.6945 10.454  2.5738  5.4326  2.2512 212.993 29.311 149.482 35.992 63.51140       46.41726 
1 1 1 0   47 9  o 123.930 34.633 3.7109  1.8880 8.4649  5.1642  2.9775  2.0284 172.041 58.893 112.372 36.887 59.66856       69.49137 
1 1 1 0   47 10 o 122.249 35.360 3.6281  1.9347 2.2026  4.7988  3.9048  2.1141 122.135 52.230 126.243 37.093 -4.107155      64.06127 
1 1 1 0   47 11 o 156.823 32.099 5.8811  2.0600 4.3740  5.0871  6.1767  2.2530 136.913 55.762 159.569 34.356 -22.65652      65.49641 
1 1 1 0   47 12 o 101.394 36.052 2.3286  1.9462 0.0000  0.0000  2.3286  1.9462 ?       ?      101.394 36.052 0.000000       36.05172 
1 1 1 0   47 13 o 134.431 38.338 4.6198  2.2893 0.0000  0.0000  4.6198  2.2893 ?       ?      134.431 38.338 0.000000       38.33755 
1 1 1 0   47 14 o 168.748 25.033 6.5852  1.7347 8.8060  2.9527  5.4147  2.1437 185.714 38.794 147.102 34.931 38.61124       52.20344 
1 1 1 0   47 15 o 305.626 22.134 21.044  2.8454 24.628  4.0897  17.681  3.9613 322.580 30.292 267.563 35.862 55.01752       46.94352 
1 1 1 0   48 0  o 147.729 44.129 5.0865  2.9725 0.0000  0.0000  5.0865  2.9725 ?       ?      147.729 44.129 0.000000       44.12880 
1 1 1 0   48 1  o 295.705 21.865 19.323  2.7186 0.0000  0.0000  19.323  2.7186 ?       ?      295.705 21.865 0.000000       21.86453 
1 1 1 0   48 2  o 129.480 37.710 4.0793  2.1937 0.0000  0.0000  4.0793  2.1937 ?       ?      129.480 37.710 0.000000       37.71041 
1 1 1 0   48 3  o 336.604 18.781 24.766  2.6665 23.942  5.2706  25.050  3.0913 313.857 40.606 336.725 21.795 -22.86792      46.08543 
1 1 1 0   48 4  o 119.568 38.691 3.4290  2.2352 6.8314  4.0296  1.9168  2.6864 159.702 51.969 103.769 41.116 55.93253       66.26689 
1 1 1 0   48 5  o 77.891  32.023 0.6761  1.6975 -1.1138 4.1544  1.0348  1.8599 97.953  44.779 84.579  33.977 13.37478       56.21052 
1 1 1 0   48 6  o 239.799 22.266 12.806  2.2354 10.853  5.1734  13.254  2.4788 194.116 58.270 242.797 24.439 -48.68140      63.18730 
1 1 1 0   48 7  o 250.113 22.967 13.979  2.4055 12.689  5.2355  14.324  2.7083 211.131 57.155 251.525 25.791 -40.39333      62.70476 
1 1 1 0   48 8  o 207.108 25.420 9.7441  2.1827 15.338  5.2638  8.5825  2.3987 236.186 53.825 191.362 30.632 44.82413       61.93064 
1 1 1 0   48 9  o 286.059 21.057 18.159  2.5330 16.058  6.1771  18.584  2.7772 230.853 61.910 288.180 22.947 -57.32648      66.02599 
1 1 1 0   48 10 o 97.497  30.862 2.2269  1.4282 -0.0006 2.3015  3.6217  1.8212 80.037  35.178 121.530 34.033 -41.49357      48.94629 
1 1 1 0   48 11 o 177.357 23.600 7.1759  1.7286 5.3145  2.5320  8.8007  2.3656 143.216 40.137 192.776 29.949 -49.55963      50.07864 
1 1 1 0   48 12 o 119.636 31.573 3.5126  1.6229 5.5740  2.4208  1.8298  2.1873 147.002 38.448 95.736  37.352 51.26599       53.60434 
1 1 1 0   48 13 o 65.591  28.745 -0.0515 1.5269 -1.1596 2.4368  0.6648  1.9592 72.876  33.670 80.118  33.779 -7.241890      47.69379 
1 1 1 0   48 14 o 113.710 30.391 3.1635  1.4915 5.8689  2.7185  1.9984  1.7840 148.109 41.617 94.458  34.397 53.65106       53.99200 
1 1 1 0   49 1  o 305.373 17.213 20.343  2.2169 21.462  3.3098  19.433  2.9856 308.345 25.578 294.298 24.169 14.04700       35.19016 
1 1 1 0   49 2  o 119.945 31.831 3.4489  1.6437 2.8391  2.5881  3.8612  2.1280 112.525 41.360 125.397 37.311 -12.87196      55.70246 
1 1 1 0   49 3  o 136.817 37.897 4.6478  2.2712 5.9898  2.8640  2.3735  3.7283 152.867 42.632 115.541 47.475 37.32605       63.80706 
1 1 1 0   49 4  o 233.554 29.109 12.613  2.8166 24.603  4.8653  6.5689  3.4543 320.016 36.556 157.080 47.718 162.9361       60.11133 
1 1 1 0   49 5  o 201.742 21.487 9.0849  1.8075 8.3177  3.0466  9.5016  2.2454 181.706 40.613 203.647 26.677 -21.94092      48.59111 
1 1 1 0   49 6  o 80.812  31.102 1.1574  1.5006 -1.3493 2.5910  2.4226  1.8408 75.356  34.781 102.645 35.161 -27.28950      49.45761 
1 1 1 0   49 7  o 65.875  29.071 -0.2081 1.5867 0.0577  2.6258  -0.3610 1.9915 85.308  37.532 72.135  32.159 13.17283       49.42558 
1 1 1 0   49 8  o 114.201 32.637 3.1731  1.6573 3.8368  2.7012  2.7725  2.0987 123.511 42.579 108.192 37.518 15.31967       56.75023 
1 1 1 0   49 9  o 235.276 19.299 12.290  1.9059 13.425  2.9526  11.479  2.4955 238.653 29.868 222.518 27.037 16.13464       40.28781 
1 1 1 0   49 10 o 88.525  31.151 1.7479  1.4494 -1.4897 2.1905  4.2695  1.9331 66.857  31.239 130.489 34.468 -63.63123      46.51798 
1 1 1 0   49 11 o 75.379  31.922 0.5000  1.7622 -1.2533 2.3101  2.9401  2.7253 70.148  32.541 111.064 42.112 -40.91640      53.21944 
1 1 1 0   49 12 o 70.458  31.657 -0.3881 1.9703 3.4799  5.6483  -0.9240 2.1023 126.365 55.334 68.720  31.577 57.64516       63.71004 
1 1 1 0   49 13 o 142.160 30.157 4.9209  1.7593 4.2425  2.6162  5.4810  2.3771 126.224 41.914 144.939 38.191 -18.71507      56.70385 
1 1 1 0   50 0  o 184.392 32.821 7.7810  2.4690 1.3246  3.9666  11.865  3.1547 115.292 48.307 228.257 33.644 -112.9646      58.86866 
1 1 1 0   50 1  o 188.692 22.394 8.0143  1.7546 5.7171  2.8140  9.4755  2.2443 148.424 42.563 202.937 26.767 -54.51306      50.27989 
1 1 1 0   50 2  o 107.927 33.193 2.7944  1.6648 0.7235  2.7065  4.0548  2.1115 91.617  39.203 127.625 36.947 -36.00843      53.87015 
1 1 1 0   50 3  o 57.854  26.747 -1.0085 1.5414 -1.5676 2.7274  -0.7461 1.8684 75.914  35.264 66.692  30.310 9.222565       46.50034 
1 1 1 0   50 4  o 205.197 23.894 9.5548  2.0375 4.6034  4.6396  10.738  2.2679 135.302 53.899 216.902 25.157 -81.60022      59.48099 
1 1 1 0   50 5  o 162.693 25.285 6.1034  1.6855 9.5013  2.8906  4.3527  2.0748 196.397 36.084 131.892 36.096 64.50497       51.03858 
1 1 1 0   50 6  o 166.961 25.299 6.4404  1.7328 9.0630  2.9433  5.0494  2.1436 189.764 37.951 141.913 35.700 47.85129       52.10314 
1 1 1 0   50 7  o 75.111  30.697 0.7420  1.5483 -0.2659 2.6706  1.2522  1.9002 82.457  36.966 86.071  34.425 -3.614761      50.51315 
1 1 1 0   50 8  o 105.294 33.074 2.7146  1.6431 3.8387  2.7862  2.1152  2.0345 121.659 43.148 97.749  36.530 23.91000       56.53502 
1 1 1 0   50 9  o 167.668 25.099 6.5445  1.7274 5.9045  2.8793  6.9043  2.1591 146.811 43.332 168.201 31.468 -21.38939      53.55253 
1 1 1 0   50 10 o 146.400 25.866 5.0508  1.5450 1.7857  2.3121  7.6852  2.0768 95.359  38.030 179.704 28.219 -84.34486      47.35546 
1 1 1 0   50 11 o 135.919 29.034 4.4824  1.6205 3.1126  2.2941  5.8465  2.2893 111.112 39.180 150.776 36.290 -39.66437      53.40490 
1 1 1 0   50 12 o 93.201  32.308 2.0319  1.5562 -1.6630 2.2274  5.5556  2.1752 65.966  31.038 147.587 35.280 -81.62101      46.98999 
1 1 1 0   51 1  o 104.049 33.254 2.6179  1.6550 1.7638  2.6795  3.1447  2.1045 99.414  40.478 112.681 37.600 -13.26712      55.24655 
1 1 1 0   51 2  o 128.015 31.719 4.0212  1.7108 5.2004  2.8290  3.3414  2.1481 139.255 43.343 115.450 37.962 23.80554       57.61684 
1 1 1 0   51 3  o 134.565 31.092 4.4222  1.7362 6.7814  2.8230  2.9869  2.2019 160.152 41.341 110.359 38.420 49.79327       56.43737 
1 1 1 0   51 4  o 246.843 22.661 13.822  2.3424 21.039  4.9702  11.761  2.6558 283.395 42.742 223.141 28.775 60.25320       51.52537 
1 1 1 0   51 5  o 103.706 32.446 2.6312  1.5830 1.0991  2.7689  3.3751  1.9294 93.491  39.820 115.545 35.767 -22.05418      53.52429 
1 1 1 0   51 6  o 76.907  35.661 -1.2455 2.7702 -1.2455 2.7702  0.0000  0.0000 76.907  35.661 ?       ?      0.000000       35.66077 
1 1 1 0   51 7  o 93.012  32.753 2.0084  1.6027 1.9060  2.9225  2.0524  1.9166 101.135 41.842 95.489  35.500 5.645485       54.87305 
1 1 1 0   51 8  o 68.204  31.183 -0.7412 2.0151 -3.4004 2.7619  2.2859  2.9467 66.019  31.982 104.485 42.484 -38.46626      53.17706 
1 1 1 0   51 9  o 124.455 28.892 3.7824  1.4935 0.3111  2.2921  6.3436  1.9688 80.618  35.277 161.503 29.887 -80.88416      46.23549 
1 1 1 0   51 10 o 133.326 29.811 4.3623  1.6410 2.9107  2.6146  5.3057  2.1078 108.999 41.267 143.971 34.928 -34.97244      54.06384 
1 1 1 0   52 0  o 161.447 38.006 6.2730  2.5554 11.444  3.9755  2.6325  3.3358 215.021 45.099 117.961 46.099 97.05980       64.48999 
1 1 1 0   52 1  o 199.170 26.665 9.3328  2.1926 7.2965  4.2425  10.075  2.5612 152.725 53.321 203.981 30.592 -51.25581      61.47367 
1 1 1 0   52 2  o 104.061 33.513 2.6861  1.6785 0.5125  2.8754  3.8096  2.0673 89.250  39.271 121.087 36.945 -31.83720      53.91779 
1 1 1 0   52 3  o 211.239 25.554 10.418  2.2395 13.433  3.1298  7.2552  3.2059 233.921 32.470 159.919 45.285 74.00153       55.72287 
1 1 1 0   52 4  o 155.376 27.987 5.7977  1.7738 3.4860  2.9131  7.1600  2.2362 115.975 43.639 169.957 32.249 -53.98190      54.26175 
1 1 1 0   52 5  o 152.725 26.220 5.5330  1.6348 4.5873  2.9216  5.9641  1.9725 128.307 44.279 155.512 31.038 -27.20432      54.07420 
1 1 1 0   52 6  o 127.949 30.314 4.0559  1.6173 2.4455  2.9366  4.7571  1.9377 105.286 42.553 136.661 33.694 -31.37579      54.27799 
1 1 1 0   52 7  o 215.625 21.249 10.574  1.9152 11.931  3.1912  9.8102  2.3943 216.268 36.116 202.060 28.795 14.20837       46.19012 
1 1 1 0   52 8  o 67.989  29.194 0.2654  1.5103 1.5260  2.7508  -0.2785 1.8069 95.572  40.146 67.978  30.446 27.59338       50.38477 
1 1 1 0   53 1  o 134.062 29.857 4.4446  1.6516 5.9545  2.6635  3.5012  2.1053 146.784 41.176 115.349 37.565 31.43517       55.73654 
1 1 1 0   53 2  o 75.658  31.310 0.7756  1.6369 -0.8116 2.8512  1.5560  1.9992 79.460  36.609 88.980  35.402 -9.519646      50.92631 
1 1 1 0   53 3  o 128.151 36.029 4.3149  2.0369 -0.9794 2.8336  9.9753  2.9300 78.252  36.208 196.419 36.570 -118.1672      51.46207 
1 1 1 0   53 4  o 108.430 33.586 2.9945  1.7010 2.6788  2.9977  3.1444  2.0658 107.098 43.096 110.150 37.251 -3.052216      56.96426 
1 1 1 0   53 5  o 78.164  30.609 1.1387  1.4730 -0.9446 3.0253  1.7860  1.6863 80.804  37.397 89.391  33.287 -8.586975      50.06540 
1 1 1 0   53 6  o 145.061 35.249 5.4619  2.1441 3.5714  3.1599  7.0751  2.9189 116.159 45.013 159.064 42.515 -42.90585      61.91690 
1 1 1 0   54 0  o 217.880 31.332 10.997  2.8079 16.645  4.5607  7.5491  3.5633 260.032 42.912 170.873 47.517 89.15886       64.02605 
1 1 1 0   54 1  o 65.225  30.273 -1.0430 2.0031 -4.7306 2.7773  2.9552  2.8919 60.686  29.946 108.739 42.794 -48.05298      52.23124 
1 1 1 1   0  0  f 731.700 21.922 113.939 6.7792 115.017 9.5923  112.863 9.5821 733.323 31.014 726.326 31.284 0.000000       0.000000 
1 1 1 1   0  1  o 1253.24 24.942 333.985 13.226 320.096 18.685  347.930 18.723 1224.00 36.119 1276.67 34.688 0.000000       0.000000 
1 1 1 1   0  2  o 813.958 22.299 140.946 7.6734 135.034 10.838  146.887 10.866 794.583 32.329 829.196 31.042 0.000000       0.000000 
1 1 1 1   0  3  f 180.441 21.837 7.2066  1.6037 7.1023  2.2655  7.3114  2.2705 173.228 34.835 176.437 34.040 0.000000       0.000000 
1 1 1 1   0  4  o 389.394 20.999 32.454  3.4398 30.022  4.8487  34.918  4.8807 371.784 31.306 402.179 29.003 0.000000       0.000000 
1 1 1 1   0  5  o 462.552 30.324 46.084  5.8814 0.0000  0.0000  46.084  5.8814 462.552 30.324 462.552 30.324 0.000000       0.000000 
1 1 1 1   0  6  o 1166.19 34.795 290.417 17.150 290.417 17.150  0.0000  0.0000 1166.19 34.795 1166.19 34.795 0.000000       0.000000 
1 1 1 1   0  7  o 243.218 21.771 12.852  2.2011 12.546  3.1190  13.156  3.1068 236.224 33.026 242.731 31.723 0.000000       0.000000 
1 1 1 1   0  8  o 881.873 22.951 165.470 8.5584 160.900 12.052  170.121 12.156 867.355 32.917 892.134 32.271 0.000000       0.000000 
1 1 1 1   0  9  o 176.180 23.799 6.9435  1.6844 8.2468  2.3981  5.6745  2.3665 188.804 33.013 146.978 43.690 0.000000       0.000000 
1 1 1 1   0  10 o 274.854 22.060 16.357  2.5296 20.759  3.5711  11.923  3.5838 308.594 27.847 225.562 41.716 0.000000       0.000000 
1 1 1 1   0  11 o 240.041 22.568 12.571  2.2475 9.5400  3.1472  15.726  3.2107 198.951 42.523 266.918 29.304 0.000000       0.000000 
1 1 1 1   0  12 o 151.346 41.327 5.8679  2.2900 5.8679  2.2900  0.0000  0.0000 151.346 41.327 151.346 41.327 0.000000       0.000000 
1 1 1 1   0  13 o 269.648 22.615 15.777  2.5407 15.451  3.5562  16.116  3.6312 262.976 33.401 268.876 33.257 0.000000       0.000000 
1 1 1 1   0  14 o 371.110 31.302 29.943  4.8389 29.943  4.8389  0.0000  0.0000 371.110 31.302 371.110 31.302 0.000000       0.000000 
1 1 1 1   0  15 o 654.762 22.378 91.296  6.1888 94.333  8.6407  88.097  8.8683 663.929 30.884 641.000 32.866 0.000000       0.000000 
1 1 1 1   0  16 o 482.035 22.182 49.598  4.5064 49.130  6.2681  50.098  6.4833 477.830 31.283 482.383 32.062 0.000000       0.000000 
1 1 1 1   0  17 o 1419.32 26.811 428.010 16.102 429.492 22.538  426.465 23.014 1419.46 37.552 1414.20 38.492 0.000000       0.000000 
1 1 1 1   0  18 o 691.020 22.797 101.622 6.6548 106.767 9.2999  96.222  9.5267 706.848 31.206 670.267 33.757 0.000000       0.000000 
1 1 1 1   0  19 o 323.338 23.076 22.519  3.1229 24.038  4.3544  20.910  4.4813 331.868 31.643 307.500 35.662 0.000000       0.000000 
1 1 1 1   0  20 o 370.232 33.520 29.871  5.1565 0.0000  0.0000  29.871  5.1565 370.232 33.520 370.232 33.520 0.000000       0.000000 
1 1 1 1   0  21 o 882.021 33.360 166.326 12.420 166.326 12.420  0.0000  0.0000 882.021 33.360 882.021 33.360 0.000000       0.000000 
1 1 1 1   0  22 o 1003.73 24.584 214.376 10.436 223.243 14.561  205.012 14.964 1022.14 33.722 978.674 36.218 0.000000       0.000000 
1 1 1 1   0  23 o 429.594 23.163 39.544  4.1860 34.431  5.6972  45.542  6.1709 397.455 34.443 459.029 32.105 0.000000       0.000000 
1 1 1 1   0  24 o 211.739 45.798 10.843  3.6016 0.0000  0.0000  10.843  3.6016 211.739 45.798 211.739 45.798 0.000000       0.000000 
1 1 1 1   0  25 o 403.647 34.606 35.647  5.8155 0.0000  0.0000  35.647  5.8155 403.647 34.606 403.647 34.606 0.000000       0.000000 
1 1 1 1   0  26 o 334.115 35.919 24.775  4.9339 0.0000  0.0000  24.775  4.9339 334.115 35.919 334.115 35.919 0.000000       0.000000 
1 1 1 1   0  27 o 52.916  34.798 -0.3139 1.9757 0.0000  0.0000  -0.3139 1.9757 52.916  34.798 52.916  34.798 0.000000       0.000000 
1 1 1 1   0  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   0  29 o 315.257 39.937 22.641  5.0989 0.0000  0.0000  22.641  5.0989 315.257 39.937 315.257 39.937 0.000000       0.000000 
1 1 1 1   0  30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   0  31 o 234.971 45.515 13.416  4.0404 0.0000  0.0000  13.416  4.0404 234.971 45.515 234.971 45.515 0.000000       0.000000 
1 1 1 1   1  0  o 1427.21 20.951 433.187 12.663 449.982 21.833  424.674 15.544 1448.72 35.587 1411.47 26.005 37.24805       44.07621 
1 1 1 1   1  1  o 804.846 15.502 137.490 5.2839 138.114 7.4697  136.865 7.4755 805.721 21.891 802.049 22.009 3.672241       31.04217 
1 1 1 1   1  2  o 941.354 16.131 188.119 6.4306 187.549 9.0883  188.690 9.1002 938.716 22.862 941.576 22.822 -2.859802      32.30309 
1 1 1 1   1  3  o 294.059 14.465 18.347  1.8013 18.522  2.5415  18.171  2.5535 294.447 20.509 291.588 20.815 2.858917       29.22191 
1 1 1 1   1  4  o 464.073 14.790 45.700  2.9067 46.210  4.1087  45.189  4.1127 466.168 20.812 460.965 21.068 5.203186       29.61393 
1 1 1 1   1  5  o 406.275 21.094 35.195  3.6169 39.557  5.1592  30.979  5.0720 429.602 28.520 379.327 31.868 50.27496       42.76656 
1 1 1 1   1  6  o 533.673 21.160 60.567  4.7823 62.215  6.7184  58.875  6.8090 538.992 29.546 524.021 30.818 14.97150       42.69340 
1 1 1 1   1  7  o 803.187 15.873 136.936 5.3990 138.819 7.6272  135.045 7.6435 807.723 22.298 796.605 22.657 11.11792       31.78882 
1 1 1 1   1  8  o 993.646 16.622 209.681 6.9947 206.700 9.8720  212.687 9.9123 985.067 23.664 999.292 23.423 -14.22601      33.29597 
1 1 1 1   1  9  o 719.665 15.685 109.993 4.7803 103.662 6.7363  116.415 6.7847 697.497 22.805 739.381 21.668 -41.88403      31.45773 
1 1 1 1   1  10 o 559.291 15.363 66.457  3.6388 66.030  5.1378  66.886  5.1542 556.553 21.798 560.161 21.727 -3.607971      30.77734 
1 1 1 1   1  11 o 325.908 17.772 22.676  2.4436 25.150  2.9954  17.755  4.2248 342.788 20.732 284.411 35.874 58.37714       41.43398 
1 1 1 1   1  12 o 268.897 22.296 15.545  2.5161 15.408  3.5764  15.681  3.5405 265.464 32.491 268.007 31.816 -2.543365      45.47396 
1 1 1 1   1  13 o 268.254 18.145 15.382  2.0492 16.258  2.5097  13.630  3.5495 275.277 21.705 249.225 34.560 26.05193       40.81057 
1 1 1 1   1  14 o 61.040  24.375 0.3930  0.9509 -0.6240 1.4034  1.2563  1.2930 59.949  26.842 82.607  29.384 -22.65786      39.79790 
1 1 1 1   1  15 o 478.482 15.503 48.581  3.1415 49.976  4.4520  47.197  4.4334 484.813 21.684 471.094 22.222 13.71951       31.04879 
1 1 1 1   1  16 o 588.365 15.700 73.429  3.9119 75.276  5.5460  71.600  5.5187 595.218 22.002 580.461 22.450 14.75690       31.43408 
1 1 1 1   1  17 o 648.859 15.937 89.296  4.3792 94.221  6.2109  84.427  6.1755 666.011 22.021 630.344 23.134 35.66675       31.93881 
1 1 1 1   1  18 o 1023.28 17.148 222.171 7.4309 223.155 10.525  221.193 10.493 1024.49 24.258 1019.98 24.293 4.518921       34.33061 
1 1 1 1   1  19 o 681.588 16.087 98.568  4.6433 93.723  6.5711  103.399 6.5621 663.883 23.373 697.454 22.217 -33.57080      32.24702 
1 1 1 1   1  20 o 654.480 23.288 91.138  6.4548 90.966  9.1412  91.309  9.1157 651.417 33.247 652.682 33.088 -1.265747      46.90566 
1 1 1 1   1  21 o 1269.18 36.452 345.520 19.593 0.0000  0.0000  345.520 19.593 ?       ?      1269.18 36.452 0.000000       36.45212 
1 1 1 1   1  22 o 484.560 18.799 49.900  3.8578 52.169  6.7624  48.805  4.6971 492.610 32.600 478.763 23.167 13.84634       39.99291 
1 1 1 1   1  23 o 695.860 19.064 102.987 5.6180 104.740 9.8743  102.148 6.8315 698.569 33.378 692.263 23.302 6.306396       40.70698 
1 1 1 1   1  24 o 572.368 18.931 69.763  4.5888 75.147  8.1441  67.259  5.5545 589.874 32.730 561.170 23.373 28.70441       40.21856 
1 1 1 1   1  25 o 253.545 20.454 13.811  2.1775 14.155  3.9527  13.661  2.6091 252.379 38.175 251.299 24.842 1.079865       45.54650 
1 1 1 1   1  26 o 331.793 19.403 23.589  2.7145 18.035  4.7391  26.301  3.3116 284.034 40.550 349.724 22.479 -65.68964      46.36349 
1 1 1 1   1  27 o 178.205 29.354 7.0529  2.1381 7.4984  3.0245  6.6079  3.0230 180.797 40.507 169.281 42.290 11.51591       58.55989 
1 1 1 1   1  28 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   1  29 o 312.252 25.145 21.285  3.2969 20.868  4.5586  21.743  4.7739 304.439 36.059 310.325 37.058 -5.886597      51.70629 
1 1 1 1   1  30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   1  31 o 153.258 34.897 5.4693  2.2142 2.8912  2.9606  8.7421  3.3356 119.807 44.205 191.484 42.266 -71.67712      61.15951 
1 1 1 1   2  0  o 770.286 19.656 126.118 6.4119 126.165 9.0575  126.071 9.0783 768.960 27.814 768.657 27.889 0.3023682      39.38753 
1 1 1 1   2  1  o 1291.93 24.430 355.510 13.366 348.483 18.888  362.560 18.918 1275.18 34.976 1300.96 34.337 -25.78406      49.01420 
1 1 1 1   2  2  o 834.918 21.948 148.307 7.7603 145.483 10.951  151.155 10.999 824.905 31.347 840.949 30.884 -16.04419      44.00499 
1 1 1 1   2  3  o 400.520 20.737 34.201  3.5054 34.210  4.9429  34.193  4.9719 399.189 29.447 399.055 29.632 0.1334229      41.77498 
1 1 1 1   2  4  o 601.444 17.427 76.823  4.4387 73.536  7.7133  78.451  5.4274 585.714 31.209 607.362 21.101 -21.64789      37.67286 
1 1 1 1   2  5  o 420.823 20.836 37.657  3.7132 38.402  5.3038  36.941  5.2003 423.014 29.797 414.852 29.798 8.162262       42.14014 
1 1 1 1   2  6  o 496.242 30.537 52.807  6.3862 0.0000  0.0000  52.807  6.3862 ?       ?      496.242 30.537 0.000000       30.53667 
1 1 1 1   2  7  o 365.785 17.151 28.413  2.6568 27.292  4.6393  28.961  3.2408 356.002 31.084 368.455 20.855 -12.45242      37.43156 
1 1 1 1   2  8  o 498.560 17.463 52.805  3.6870 53.482  6.4259  52.473  4.5017 499.157 30.546 496.581 21.407 2.575806       37.29979 
1 1 1 1   2  9  o 427.598 15.022 38.822  2.7202 36.150  3.8376  41.521  3.8564 411.378 22.109 441.674 20.618 -30.29538      30.23075 
1 1 1 1   2  10 o 504.006 15.217 53.966  3.2479 52.559  4.5882  55.380  4.5982 496.526 21.820 509.756 21.300 -13.23001      30.49299 
1 1 1 1   2  11 o 580.011 22.004 71.816  5.4048 68.182  7.6807  75.380  7.6070 561.603 32.432 591.287 30.483 -29.68427      44.50895 
1 1 1 1   2  12 o 201.278 33.665 8.9681  2.7683 0.0000  0.0000  8.9681  2.7683 ?       ?      201.278 33.665 0.000000       33.66535 
1 1 1 1   2  13 o 718.867 32.465 111.160 9.8834 111.160 9.8834  0.0000  0.0000 718.867 32.465 ?       ?      0.000000       32.46503 
1 1 1 1   2  14 o 355.510 22.046 27.015  3.3028 0.0000  0.0000  27.015  3.3028 ?       ?      355.510 22.046 0.000000       22.04599 
1 1 1 1   2  15 o 684.462 18.457 99.496  5.3501 105.709 9.3814  96.502  6.5131 703.510 31.489 673.552 22.833 29.95758       38.89603 
1 1 1 1   2  16 o 720.080 18.657 110.063 5.6894 109.932 9.9530  110.128 6.9340 717.815 32.741 719.859 22.745 -2.043762      39.86672 
1 1 1 1   2  17 o 604.105 18.330 77.445  4.6893 78.331  8.2019  77.015  5.7156 605.342 32.109 602.099 22.416 3.243408       39.15926 
1 1 1 1   2  18 o 502.095 18.282 53.505  3.8875 57.191  6.8137  51.727  4.7334 517.014 31.267 493.372 22.655 23.64124       38.61166 
1 1 1 1   2  19 f 684.175 18.730 99.390  5.4268 95.800  9.4685  101.146 6.6224 669.707 33.385 689.751 22.671 -20.04431      40.35542 
1 1 1 1   2  20 o 663.681 23.269 93.720  6.5400 95.787  9.3052  91.702  9.1937 669.364 32.826 654.024 33.304 15.34003       46.76223 
1 1 1 1   2  21 o 1446.64 38.352 449.529 23.496 0.0000  0.0000  449.529 23.496 ?       ?      1446.64 38.352 0.000000       38.35176 
1 1 1 1   2  22 o 483.585 18.708 49.698  3.8313 53.442  6.7856  47.946  4.6419 498.670 32.305 474.533 23.099 24.13678       39.71385 
1 1 1 1   2  23 o 847.271 19.493 152.717 6.9943 151.392 12.283  153.353 8.5087 839.409 34.552 848.091 23.691 -8.681396      41.89365 
1 1 1 1   2  24 f 551.515 18.875 64.773  4.4085 57.445  7.7068  68.336  5.3747 514.529 35.587 565.825 22.430 -51.29657      42.06617 
1 1 1 1   2  25 o 465.571 18.903 46.221  3.7270 48.352  6.5529  45.202  4.5313 471.730 33.010 458.982 23.390 12.74759       40.45647 
1 1 1 1   2  26 o 230.516 20.759 11.452  2.0048 6.5908  3.3878  14.072  2.4870 169.480 46.017 255.192 23.269 -85.71213      51.56543 
1 1 1 1   2  27 o 406.498 24.016 35.673  4.1160 42.674  5.8875  28.979  5.7564 441.709 31.684 360.844 38.253 80.86557       49.67063 
1 1 1 1   2  28 o 155.176 37.739 5.5559  2.4562 0.0000  0.0000  5.5559  2.4562 ?       ?      155.176 37.739 0.000000       37.73921 
1 1 1 1   2  29 o 334.080 25.369 24.362  3.5623 27.531  4.9982  21.091  5.0785 351.209 34.032 303.770 40.486 47.43958       52.88926 
1 1 1 1   2  30 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   2  31 o 297.426 27.038 19.572  3.3684 19.758  4.6709  19.370  4.8622 292.558 38.647 288.205 40.992 4.352417       56.33758 
1 1 1 1   3  0  o 824.624 18.905 144.499 6.6020 144.805 9.3219  144.191 9.3515 824.047 26.712 822.266 26.855 1.780945       37.87786 
1 1 1 1   3  1  o 245.720 18.141 12.896  1.8744 13.118  2.6438  12.671  2.6579 246.791 25.672 242.399 26.315 4.392227       36.76303 
1 1 1 1   3  2  o 586.254 20.243 73.070  5.0257 72.894  7.0966  73.247  7.1183 584.362 28.676 585.774 28.695 -1.411926      40.56738 
1 1 1 1   3  3  o 1007.39 22.852 215.993 9.7493 215.819 13.785  216.167 13.790 1004.39 32.408 1005.21 32.395 -0.8140259     45.82237 
1 1 1 1   3  4  o 459.294 20.631 44.854  4.0128 46.672  5.6600  43.017  5.6900 466.728 28.776 447.743 30.184 18.98508       41.70309 
1 1 1 1   3  5  f 480.426 29.813 49.480  6.0358 49.480  6.0358  0.0000  0.0000 480.426 29.813 ?       ?      0.000000       29.81339 
1 1 1 1   3  6  o 968.231 33.173 200.619 13.602 0.0000  0.0000  200.619 13.602 ?       ?      968.231 33.173 0.000000       33.17349 
1 1 1 1   3  7  o 175.503 17.899 6.6103  1.3117 7.8416  2.2891  6.0082  1.6006 189.435 29.493 166.398 23.357 23.03719       37.62174 
1 1 1 1   3  8  o 777.806 18.280 128.569 6.0214 137.542 10.508  124.183 7.3472 801.776 30.949 763.669 22.718 38.10736       38.39188 
1 1 1 1   3  9  o 416.574 17.366 36.882  3.0635 33.696  5.3359  38.449  3.7417 395.137 32.167 424.985 20.790 -29.84851      38.30017 
1 1 1 1   3  10 o 227.891 17.884 11.115  1.7121 12.415  3.0095  10.493  2.0818 238.685 30.468 220.661 22.596 18.02408       37.93280 
1 1 1 1   3  11 o 498.715 30.789 53.704  6.4709 0.0000  0.0000  53.704  6.4709 ?       ?      498.715 30.789 0.000000       30.78915 
1 1 1 1   3  12 o 318.360 31.225 22.018  4.1557 0.0000  0.0000  22.018  4.1557 ?       ?      318.360 31.225 0.000000       31.22527 
1 1 1 1   3  13 o 485.352 21.924 50.236  4.5063 51.305  6.4297  49.204  6.3174 487.741 31.294 477.581 31.411 10.16071       44.33897 
1 1 1 1   3  14 o 625.738 22.360 83.384  5.9253 0.0000  0.0000  83.384  5.9253 ?       ?      625.738 22.360 0.000000       22.35999 
1 1 1 1   3  15 o 750.765 18.725 119.712 5.9535 111.768 10.330  123.663 7.2851 722.973 33.738 762.534 22.560 -39.56036      40.58601 
1 1 1 1   3  16 f 796.914 18.904 134.811 6.3797 143.762 11.131  130.433 7.7853 821.025 32.013 783.335 23.468 37.69031       39.69406 
1 1 1 1   3  17 o 599.621 18.397 76.302  4.6715 76.937  8.1715  75.993  5.6937 599.875 32.285 598.081 22.480 1.793335       39.34004 
1 1 1 1   3  18 o 223.350 20.321 10.680  1.9011 15.197  3.2901  8.4167  2.3293 265.436 29.782 196.755 28.808 68.68077       41.43571 
1 1 1 1   3  19 o 958.280 19.705 195.044 7.9966 182.566 13.917  201.194 9.7706 923.926 35.569 972.601 23.721 -48.67505      42.75322 
1 1 1 1   3  20 o 940.799 24.377 188.420 9.7122 172.462 13.706  204.516 13.765 897.241 36.070 977.925 33.237 -80.68378      49.04829 
1 1 1 1   3  21 o 1106.32 35.109 262.315 16.449 0.0000  0.0000  262.315 16.449 ?       ?      1106.32 35.109 0.000000       35.10941 
1 1 1 1   3  22 o 1029.22 20.184 225.255 8.7975 211.297 15.355  232.075 10.734 992.036 36.548 1043.69 24.285 -51.65601      43.88140 
1 1 1 1   3  23 o 819.615 19.334 142.907 6.7107 150.308 11.776  139.347 8.1665 836.790 33.230 808.364 23.855 28.42609       40.90577 
1 1 1 1   3  24 o 481.228 18.882 49.318  3.8480 41.630  6.7360  53.043  4.6883 437.227 36.719 498.522 22.207 -61.29581      42.91180 
1 1 1 1   3  25 o 515.869 18.869 56.749  4.1222 51.149  7.1855  59.497  5.0328 484.335 35.274 527.419 22.533 -43.08374      41.85693 
1 1 1 1   3  26 o 252.350 20.038 13.692  2.1238 15.795  3.7268  12.681  2.5846 267.720 33.612 241.594 25.654 26.12611       42.28385 
1 1 1 1   3  27 o 273.184 25.031 16.210  2.8637 18.589  4.0510  13.834  4.0488 289.935 33.616 247.325 40.023 42.61047       52.26739 
1 1 1 1   3  28 o 264.790 34.964 15.720  3.8249 0.0000  0.0000  15.720  3.8249 ?       ?      264.790 34.964 0.000000       34.96426 
1 1 1 1   3  29 o 151.119 25.895 5.0928  1.5976 5.3396  2.6658  4.9544  1.9957 151.224 40.720 147.146 32.857 4.077805       52.32253 
1 1 1 1   3  30 o 407.981 19.603 35.904  3.3870 35.967  6.0381  35.875  4.0913 398.309 36.191 405.348 23.940 -7.039185      43.39239 
1 1 1 1   3  31 o 294.062 27.420 19.159  3.3753 15.753  4.7209  22.720  4.8277 257.070 45.003 315.086 36.877 -58.01614      58.18252 
1 1 1 1   4  0  o 633.092 17.301 85.121  4.6386 84.166  6.5364  86.091  6.5838 628.583 24.554 635.747 24.454 -7.163208      34.65413 
1 1 1 1   4  1  o 361.186 17.281 27.705  2.6432 29.023  3.7172  26.357  3.7594 368.411 23.955 350.775 25.481 17.63635       34.97371 
1 1 1 1   4  2  o 382.751 18.505 31.125  2.9994 31.745  4.2142  30.489  4.2700 385.053 25.996 377.171 26.909 7.882080       37.41520 
1 1 1 1   4  3  f 483.765 19.814 49.746  4.0593 50.967  5.7094  48.498  5.7724 487.991 27.742 475.793 28.784 12.19803       39.97621 
1 1 1 1   4  4  o 823.581 30.801 144.962 10.743 144.962 10.743  0.0000  0.0000 823.581 30.801 ?       ?      0.000000       30.80078 
1 1 1 1   4  5  o 467.212 20.589 46.412  4.0738 44.981  5.7365  47.868  5.7863 457.991 29.737 472.651 29.049 -14.66016      41.57080 
1 1 1 1   4  6  o 740.285 31.205 117.136 9.7829 0.0000  0.0000  117.136 9.7829 ?       ?      740.285 31.205 0.000000       31.20503 
1 1 1 1   4  7  o 782.582 22.298 130.333 7.3898 128.487 10.408  132.210 10.495 775.038 31.709 786.234 31.519 -11.19562      44.70895 
1 1 1 1   4  8  o 701.472 22.079 104.756 6.5590 100.272 9.2419  109.305 9.3100 684.300 31.891 714.736 30.758 -30.43616      44.30703 
1 1 1 1   4  9  f 629.457 17.840 84.235  4.7555 86.314  8.2727  83.209  5.8117 634.668 30.779 624.965 21.959 9.702698       37.80926 
1 1 1 1   4  10 o 398.530 17.452 33.783  2.9455 34.048  5.1099  33.651  3.6046 397.103 30.622 396.712 21.536 0.3904724      37.43684 
1 1 1 1   4  11 o 227.975 31.956 11.402  3.0005 0.0000  0.0000  11.402  3.0005 ?       ?      227.975 31.956 0.000000       31.95645 
1 1 1 1   4  12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   4  13 o 558.806 22.103 66.591  5.2306 67.080  7.4168  66.107  7.3778 557.973 31.517 553.877 31.585 4.096375       44.61939 
1 1 1 1   4  14 o 228.384 23.913 11.234  2.2786 0.0000  0.0000  11.234  2.2786 ?       ?      228.384 23.913 0.000000       23.91319 
1 1 1 1   4  15 o 583.938 18.242 72.406  4.5112 65.206  7.8276  75.987  5.5201 551.272 33.690 597.842 21.803 -46.56995      40.13015 
1 1 1 1   4  16 o 700.023 18.573 104.011 5.5061 111.185 9.6006  100.495 6.7214 722.156 31.392 687.641 23.081 34.51550       38.96421 
1 1 1 1   4  17 o 826.958 19.099 145.154 6.6886 145.325 11.622  145.069 8.1788 825.430 33.248 826.221 23.375 -0.7909546     40.64277 
1 1 1 1   4  18 o 929.691 19.539 183.514 7.6929 194.390 13.426  178.198 9.3864 954.406 33.219 915.464 24.211 38.94116       41.10557 
1 1 1 1   4  19 o 1196.07 20.872 303.974 10.572 301.331 18.409  305.275 12.914 1186.57 36.635 1197.61 25.463 -11.03760      44.61462 
1 1 1 1   4  20 o 789.251 33.535 133.249 11.209 133.249 11.209  0.0000  0.0000 789.251 33.535 ?       ?      0.000000       33.53492 
1 1 1 1   4  21 o 504.733 23.143 54.230  4.9469 0.0000  0.0000  54.230  4.9469 ?       ?      504.733 23.143 0.000000       23.14323 
1 1 1 1   4  22 f 898.684 19.657 171.710 7.4810 173.099 13.037  171.028 9.1345 898.603 34.259 895.989 24.073 2.614136       41.87105 
1 1 1 1   4  23 o 505.670 18.945 54.390  4.0570 43.373  6.9303  60.134  5.0041 447.297 36.915 531.245 22.243 -83.94827      43.09871 
1 1 1 1   4  24 o 585.759 18.970 73.081  4.7059 75.963  8.1857  71.658  5.7513 592.918 32.727 579.133 23.450 13.78522       40.26077 
1 1 1 1   4  25 o 306.328 19.623 20.104  2.5322 21.713  4.4788  19.348  3.0699 314.835 34.139 299.526 24.414 15.30951       41.97054 
1 1 1 1   4  26 o 758.785 19.325 122.975 6.2099 123.954 10.889  122.503 7.5597 754.970 34.058 755.719 23.621 -0.7482300     41.44730 
1 1 1 1   4  27 o 291.009 24.797 18.374  3.0269 17.298  4.2838  19.447  4.2775 278.132 37.310 296.131 34.770 -17.99823      50.99989 
1 1 1 1   4  28 o 422.964 23.436 38.738  4.1816 0.0000  0.0000  38.738  4.1816 ?       ?      422.964 23.436 0.000000       23.43648 
1 1 1 1   4  29 o 94.543  33.632 1.7514  1.6939 0.6649  2.1070  3.7367  2.8482 86.606  35.650 130.250 43.741 -43.64421      56.42855 
1 1 1 1   4  30 o 314.319 20.469 21.434  2.7098 20.661  4.6865  21.822  3.3213 300.242 37.689 315.295 25.082 -15.05261      45.27164 
1 1 1 1   4  31 o 160.605 25.567 5.7691  1.6806 5.3448  3.0039  5.9624  2.0277 149.563 44.291 161.575 30.757 -12.01207      53.92237 
1 1 1 1   5  0  o 306.557 12.366 19.930  1.6054 19.728  2.8106  20.027  1.9558 303.721 22.000 307.194 15.034 -3.472656      26.64663 
1 1 1 1   5  1  o 442.826 17.030 41.642  3.1937 39.904  4.5162  43.380  4.5169 432.097 24.784 450.748 23.746 -18.65085      34.32372 
1 1 1 1   5  2  o 370.618 17.698 29.175  2.7778 27.431  3.9023  30.968  3.9550 357.812 25.928 380.492 24.678 -22.67990      35.79501 
1 1 1 1   5  3  o 504.965 19.046 54.186  4.0730 52.975  5.7075  55.443  5.8142 497.644 27.185 509.158 27.062 -11.51392      38.35862 
1 1 1 1   5  4  o 612.029 28.523 79.950  7.3929 79.950  7.3929  0.0000  0.0000 612.029 28.523 ?       ?      0.000000       28.52322 
1 1 1 1   5  5  o 506.023 29.105 54.844  6.2108 0.0000  0.0000  54.844  6.2108 ?       ?      506.023 29.105 0.000000       29.10495 
1 1 1 1   5  6  o 482.485 29.543 49.891  6.0074 0.0000  0.0000  49.891  6.0074 ?       ?      482.485 29.543 0.000000       29.54324 
1 1 1 1   5  7  o 661.155 21.500 93.002  6.0200 96.568  8.4841  89.386  8.5433 672.240 29.801 646.477 31.205 25.76257       43.14975 
1 1 1 1   5  8  o 508.341 21.201 54.997  4.5640 56.428  6.4126  53.528  6.4973 512.834 29.653 499.161 30.888 13.67294       42.81787 
1 1 1 1   5  9  o 469.969 21.304 47.045  4.2401 45.538  5.9660  48.582  6.0274 459.919 30.809 475.282 30.101 -15.36234      43.07291 
1 1 1 1   5  10 o 429.698 21.432 39.372  3.9000 40.025  5.4879  38.706  5.5434 430.735 30.278 423.312 31.141 7.422638       43.43397 
1 1 1 1   5  11 o 477.881 30.658 49.331  6.1718 0.0000  0.0000  49.331  6.1718 ?       ?      477.881 30.658 0.000000       30.65813 
1 1 1 1   5  12 o 384.072 31.171 31.944  5.0262 31.944  5.0262  0.0000  0.0000 384.072 31.171 ?       ?      0.000000       31.17102 
1 1 1 1   5  13 o 496.744 21.937 52.607  4.6149 55.328  6.5334  49.897  6.5196 506.925 30.576 480.867 32.201 26.05789       44.40508 
1 1 1 1   5  14 o 594.131 22.231 75.147  5.5936 0.0000  0.0000  75.147  5.5936 ?       ?      594.131 22.231 0.000000       22.23119 
1 1 1 1   5  15 o 135.120 23.927 3.9988  1.3190 5.5944  2.2600  3.1745  1.6244 158.734 34.596 119.803 31.573 38.93060       46.83725 
1 1 1 1   5  16 f 512.644 18.154 55.774  3.9412 48.038  6.8074  59.675  4.8337 473.196 34.201 530.023 21.535 -56.82678      40.41569 
1 1 1 1   5  17 o 347.035 18.496 25.632  2.7084 24.916  4.6298  26.004  3.3394 340.310 32.521 349.108 22.711 -8.798523      39.66636 
1 1 1 1   5  18 o 534.457 18.433 60.632  4.1721 58.364  7.1864  61.784  5.1240 522.007 32.673 539.197 22.440 -17.18976      39.63639 
1 1 1 1   5  19 o 1302.89 21.424 360.786 11.821 367.667 20.573  357.395 14.444 1310.41 37.071 1295.53 26.326 14.88110       45.46801 
1 1 1 1   5  20 o 471.706 32.854 47.805  6.5221 47.805  6.5221  0.0000  0.0000 471.706 32.854 ?       ?      0.000000       32.85411 
1 1 1 1   5  21 o 968.554 24.324 199.811 9.9772 0.0000  0.0000  199.811 9.9772 ?       ?      968.554 24.324 0.000000       24.32436 
1 1 1 1   5  22 o 959.086 19.921 195.598 8.0913 179.078 14.032  203.828 9.9037 913.242 36.281 978.147 23.908 -64.90546      43.45027 
1 1 1 1   5  23 o 517.602 18.968 56.993  4.1578 55.799  7.2023  57.590  5.0919 508.571 33.631 519.717 23.135 -11.14658      40.81989 
1 1 1 1   5  24 o 639.188 19.018 87.034  5.1480 80.050  8.8929  90.554  6.3135 607.840 34.691 651.107 22.897 -43.26666      41.56581 
1 1 1 1   5  25 o 532.045 18.977 60.380  4.2758 54.061  7.3759  63.579  5.2475 497.864 35.210 545.089 22.732 -47.22479      41.91082 
1 1 1 1   5  26 f 630.944 19.110 85.020  5.1062 88.781  8.9020  83.176  6.2337 638.561 33.032 622.655 23.640 15.90546       40.61987 
1 1 1 1   5  27 o 155.178 39.861 5.5335  2.6334 5.5335  2.6334  0.0000  0.0000 155.178 39.861 ?       ?      0.000000       39.86090 
1 1 1 1   5  28 o 183.658 28.251 7.5025  2.1269 0.0000  0.0000  7.5025  2.1269 ?       ?      183.658 28.251 0.000000       28.25146 
1 1 1 1   5  29 o 235.230 27.714 12.232  2.7078 10.250  3.5700  14.917  4.1553 209.643 41.679 254.879 39.797 -45.23656      57.62737 
1 1 1 1   5  30 o 520.515 19.548 58.455  4.3091 66.426  7.5951  54.672  5.2328 544.681 33.083 500.633 24.682 44.04855       41.27560 
1 1 1 1   5  31 o 185.775 24.340 7.6456  1.8688 4.9591  3.3057  8.9075  2.2656 145.028 47.064 199.594 27.537 -54.56581      54.52816 
1 1 1 1   6  0  o 461.018 10.618 45.055  2.0730 44.141  2.9163  45.988  2.9473 456.057 15.100 465.512 14.950 -9.454620      21.24908 
1 1 1 1   6  1  o 448.539 16.684 42.719  3.1691 41.328  4.4509  44.149  4.5132 439.884 23.983 454.767 23.515 -14.88312      33.58782 
1 1 1 1   6  2  o 179.138 17.345 6.8786  1.2994 7.4224  1.8336  6.3301  1.8417 185.186 23.941 170.353 26.381 14.83255       35.62473 
1 1 1 1   6  3  o 484.342 25.973 50.145  5.3081 50.145  5.3081  0.0000  0.0000 484.342 25.973 ?       ?      0.000000       25.97345 
1 1 1 1   6  4  o 441.405 26.751 41.696  4.9770 41.696  4.9770  0.0000  0.0000 441.405 26.751 ?       ?      0.000000       26.75127 
1 1 1 1   6  5  o 574.796 28.983 70.709  7.0324 0.0000  0.0000  70.709  7.0324 ?       ?      574.796 28.983 0.000000       28.98332 
1 1 1 1   6  6  o 470.848 20.351 47.135  4.0580 49.103  5.7364  45.163  5.7413 478.836 28.416 458.911 29.701 19.92487       41.10496 
1 1 1 1   6  7  f 825.224 22.014 144.939 7.6932 142.683 10.842  147.226 10.918 816.634 31.350 829.606 31.077 -12.97247      44.14258 
1 1 1 1   6  8  o 414.715 20.869 36.695  3.6534 36.504  5.1472  36.888  5.1865 412.044 29.697 414.203 29.766 -2.158356      42.04647 
1 1 1 1   6  9  o 329.063 21.081 23.159  2.9223 21.097  4.1024  25.283  4.1639 312.047 31.473 342.428 28.986 -30.38089      42.78728 
1 1 1 1   6  10 o 575.442 21.621 70.639  5.2690 70.934  7.3986  70.335  7.5056 573.753 30.560 571.126 31.150 2.626465       43.63706 
1 1 1 1   6  11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   6  12 o 685.997 31.535 101.293 9.1613 101.293 9.1613  0.0000  0.0000 685.997 31.535 ?       ?      0.000000       31.53489 
1 1 1 1   6  13 o 892.800 33.353 171.376 12.610 0.0000  0.0000  171.376 12.610 ?       ?      892.800 33.353 0.000000       33.35289 
1 1 1 1   6  14 o 559.027 17.953 66.398  4.2502 64.531  7.3164  67.349  5.2217 548.274 31.645 562.549 21.918 -14.27435      38.49442 
1 1 1 1   6  15 o 698.216 18.394 103.511 5.4389 97.112  9.4016  106.729 6.6679 674.258 32.925 708.543 22.222 -34.28546      39.72264 
1 1 1 1   6  16 o 489.060 18.052 50.758  3.7387 54.565  6.4740  48.854  4.5795 505.135 30.406 479.496 22.552 25.63922       37.85638 
1 1 1 1   6  17 o 1059.21 19.968 238.202 8.9568 247.483 15.574  233.615 10.949 1076.88 34.150 1048.23 24.664 28.65015       42.12529 
1 1 1 1   6  18 o 344.030 18.521 25.196  2.6885 23.182  4.5938  26.246  3.3155 327.866 33.558 350.714 22.441 -22.84793      40.36998 
1 1 1 1   6  19 o 877.922 19.347 163.707 7.1932 141.439 12.431  174.918 8.8199 812.920 36.108 906.913 22.964 -93.99255      42.79160 
1 1 1 1   6  20 o 974.209 34.543 203.197 14.251 203.197 14.251  0.0000  0.0000 974.209 34.543 ?       ?      0.000000       34.54312 
1 1 1 1   6  21 o 515.792 22.882 56.630  4.9981 0.0000  0.0000  56.630  4.9981 ?       ?      515.792 22.882 0.000000       22.88171 
1 1 1 1   6  22 o 372.936 19.140 29.643  3.0127 23.957  5.1056  32.681  3.7315 331.962 36.944 391.137 22.624 -59.17474      43.32117 
1 1 1 1   6  23 o 378.187 24.166 30.641  3.8502 31.535  5.2979  29.639  5.6050 381.782 33.095 369.234 36.315 12.54776       49.13270 
1 1 1 1   6  24 o 329.472 19.689 23.219  2.7347 22.013  4.6265  23.866  3.3903 317.324 35.011 333.208 24.191 -15.88449      42.55509 
1 1 1 1   6  25 o 388.315 19.353 32.177  3.1826 28.300  5.3741  34.272  3.9497 359.188 35.807 399.368 23.456 -40.17984      42.80602 
1 1 1 1   6  26 f 338.700 19.576 24.593  2.7960 20.817  4.7885  26.547  3.4441 306.306 37.711 351.062 23.298 -44.75626      44.32747 
1 1 1 1   6  27 o 255.397 36.541 14.616  3.8395 14.616  3.8395  0.0000  0.0000 255.397 36.541 ?       ?      0.000000       36.54080 
1 1 1 1   6  28 o 458.350 23.598 45.502  4.5650 0.0000  0.0000  45.502  4.5650 ?       ?      458.350 23.598 0.000000       23.59809 
1 1 1 1   6  29 o 207.329 28.385 9.5606  2.4268 10.147  3.2344  8.8054  3.6708 210.111 37.737 192.278 45.745 17.83287       59.30146 
1 1 1 1   6  30 o 401.027 19.726 34.717  3.3501 37.610  5.9103  33.348  4.0664 408.249 34.509 390.205 24.736 18.04437       42.45845 
1 1 1 1   6  31 o 158.132 26.120 5.6095  1.6881 5.9566  3.0451  5.4555  2.0283 157.387 43.984 153.906 32.157 3.481003       54.48484 
1 1 1 1   7  0  o 1312.74 14.478 365.665 8.0486 370.170 11.381  361.159 11.384 1319.45 20.369 1303.22 20.626 16.22803       28.98810 
1 1 1 1   7  1  o 764.593 14.280 124.039 4.6238 120.766 8.1002  125.622 5.6314 752.779 25.409 769.090 17.290 -16.31091      30.73349 
1 1 1 1   7  2  o 821.028 26.725 143.751 9.2922 143.751 9.2922  0.0000  0.0000 821.028 26.725 ?       ?      0.000000       26.72509 
1 1 1 1   7  3  o 989.281 28.890 208.949 12.103 208.949 12.103  0.0000  0.0000 989.281 28.890 ?       ?      0.000000       28.88973 
1 1 1 1   7  4  o 315.881 26.215 21.415  3.4752 0.0000  0.0000  21.415  3.4752 ?       ?      315.881 26.215 0.000000       26.21517 
1 1 1 1   7  5  o 552.363 28.131 65.271  6.5586 0.0000  0.0000  65.271  6.5586 ?       ?      552.363 28.131 0.000000       28.13081 
1 1 1 1   7  6  o 683.907 20.648 99.467  5.9803 104.844 8.3770  93.878  8.5401 700.843 28.224 662.752 30.428 38.09070       41.50251 
1 1 1 1   7  7  o 526.866 20.438 59.047  4.5601 57.038  6.3884  61.133  6.5113 515.768 29.369 534.124 28.893 -18.35620      41.19921 
1 1 1 1   7  8  f 387.333 20.519 32.019  3.3538 30.911  4.7153  33.153  4.7712 378.936 29.619 392.664 28.895 -13.72842      41.37865 
1 1 1 1   7  9  o 346.388 20.839 25.652  3.0426 25.571  4.2784  25.735  4.3279 344.160 29.644 345.217 29.899 -1.057098      42.10317 
1 1 1 1   7  10 o 607.213 21.580 78.680  5.5494 82.816  7.8070  74.456  7.8896 620.828 29.694 587.206 31.845 33.62134       43.54158 
1 1 1 1   7  11 o 249.860 33.274 13.700  3.4333 0.0000  0.0000  13.700  3.4333 ?       ?      249.860 33.274 0.000000       33.27393 
1 1 1 1   7  12 o 617.379 31.276 82.200  8.1505 82.200  8.1505  0.0000  0.0000 617.379 31.276 ?       ?      0.000000       31.27574 
1 1 1 1   7  13 o 528.546 31.298 60.129  6.9743 0.0000  0.0000  60.129  6.9743 ?       ?      528.546 31.298 0.000000       31.29754 
1 1 1 1   7  14 o 578.459 22.071 71.204  5.4067 72.821  7.6402  69.582  7.6523 582.778 31.069 569.451 31.859 13.32642       44.50061 
1 1 1 1   7  15 o 752.797 18.553 120.324 5.9147 129.630 10.232  115.653 7.2484 779.477 30.997 737.478 23.209 41.99896       38.72290 
1 1 1 1   7  16 o 190.645 20.806 7.8098  1.6525 7.8513  2.7121  7.7853  2.0841 188.783 35.219 189.449 26.719 -0.6651154     44.20699 
1 1 1 1   7  17 o 1302.95 21.205 360.575 11.701 355.751 20.232  363.000 14.343 1290.18 37.028 1306.34 25.926 -16.15918      45.20219 
1 1 1 1   7  18 o 761.032 18.827 122.959 6.0677 122.042 10.488  123.420 7.4389 756.186 32.752 761.959 23.053 -5.773499      40.05190 
1 1 1 1   7  19 o 891.599 19.310 168.856 7.2910 171.541 12.640  167.517 8.9256 895.889 33.315 887.344 23.752 8.545410       40.91488 
1 1 1 1   7  20 o 643.306 32.497 88.723  8.8247 88.723  8.8247  0.0000  0.0000 643.306 32.497 ?       ?      0.000000       32.49724 
1 1 1 1   7  21 o 566.106 22.889 68.221  5.4874 0.0000  0.0000  68.221  5.4874 ?       ?      566.106 22.889 0.000000       22.88895 
1 1 1 1   7  22 o 559.881 18.800 66.634  4.4575 68.390  7.7034  65.750  5.4654 564.165 32.378 555.588 23.229 8.577393       39.84880 
1 1 1 1   7  23 f 463.533 18.839 45.717  3.6982 46.154  6.3902  45.497  4.5348 462.360 32.849 461.254 23.291 1.106018       40.26801 
1 1 1 1   7  24 o 170.428 23.831 6.3282  1.6729 3.7640  2.6900  7.9454  2.1363 132.399 42.403 190.628 27.237 -58.22841      50.39714 
1 1 1 1   7  25 o 431.186 19.142 39.673  3.4953 39.750  6.0001  39.634  4.3003 427.032 33.446 429.453 23.737 -2.420746      41.01323 
1 1 1 1   7  26 o 113.801 29.343 2.9043  1.4232 6.6947  2.3168  0.6070  1.8037 172.879 32.846 81.572  33.211 91.30678       46.71036 
1 1 1 1   7  27 o 161.985 39.834 6.0459  2.7135 6.0459  2.7135  0.0000  0.0000 161.985 39.834 ?       ?      0.000000       39.83390 
1 1 1 1   7  28 f 356.821 23.973 27.648  3.6015 0.0000  0.0000  27.648  3.6015 ?       ?      356.821 23.973 0.000000       23.97297 
1 1 1 1   7  29 o 218.288 43.383 11.199  3.8692 0.0000  0.0000  11.199  3.8692 ?       ?      218.288 43.383 0.000000       43.38296 
1 1 1 1   7  30 o 103.053 30.671 2.3973  1.4379 0.6726  2.6866  3.0896  1.7021 94.715  39.725 115.987 33.050 -21.27224      51.67568 
1 1 1 1   8  0  o 725.672 12.721 111.687 3.9095 107.839 4.8125  119.155 6.7042 712.731 15.944 748.470 21.151 -35.73865      26.48722 
1 1 1 1   8  1  o 701.057 23.665 104.654 7.0259 104.654 7.0259  0.0000  0.0000 701.057 23.665 ?       ?      0.000000       23.66485 
1 1 1 1   8  2  o 501.055 23.900 53.464  5.0714 53.464  5.0714  0.0000  0.0000 501.055 23.900 ?       ?      0.000000       23.89987 
1 1 1 1   8  3  o 456.328 24.848 44.493  4.7837 0.0000  0.0000  44.493  4.7837 ?       ?      456.328 24.848 0.000000       24.84772 
1 1 1 1   8  4  o 460.751 25.911 45.391  5.0353 0.0000  0.0000  45.391  5.0353 ?       ?      460.751 25.911 0.000000       25.91107 
1 1 1 1   8  5  o 619.076 19.258 81.449  5.0488 81.713  7.0882  81.177  7.1931 618.986 27.040 616.869 27.535 2.116943       38.59189 
1 1 1 1   8  6  o 1118.37 22.693 266.269 10.748 270.672 15.037  261.670 15.367 1124.76 31.570 1105.44 32.826 19.32385       45.54310 
1 1 1 1   8  7  o 599.378 20.302 76.426  5.1533 74.303  7.1837  78.677  7.3967 589.611 28.770 606.715 28.788 -17.10425      40.69930 
1 1 1 1   8  8  o 410.464 20.148 35.860  3.5022 33.647  4.8984  38.174  5.0093 395.382 29.466 421.544 28.223 -26.16202      40.80167 
1 1 1 1   8  9  o 314.666 20.649 21.187  2.7364 23.704  3.8586  18.640  3.8813 331.586 27.733 292.877 31.804 38.70892       42.19707 
1 1 1 1   8  10 o 528.940 21.089 59.696  4.7240 55.411  6.6181  64.146  6.7451 506.474 31.005 545.626 29.298 -39.15216      42.65774 
1 1 1 1   8  11 o 879.713 32.688 167.015 12.178 0.0000  0.0000  167.015 12.178 ?       ?      879.713 32.688 0.000000       32.68766 
1 1 1 1   8  12 o 442.049 30.541 42.188  5.6823 42.188  5.6823  0.0000  0.0000 442.049 30.541 ?       ?      0.000000       30.54089 
1 1 1 1   8  13 o 945.122 33.613 191.904 13.453 0.0000  0.0000  191.904 13.453 ?       ?      945.122 33.613 0.000000       33.61259 
1 1 1 1   8  14 o 246.464 23.364 13.045  2.4095 14.028  3.4020  12.056  3.4131 254.114 32.346 234.643 35.453 19.47086       47.99169 
1 1 1 1   8  15 o 778.535 22.836 128.858 7.5292 137.529 10.613  120.072 10.683 802.911 31.212 749.769 33.646 53.14136       45.89355 
1 1 1 1   8  16 o 422.333 22.649 38.008  4.0360 35.552  5.6098  40.643  5.8110 406.973 32.829 435.488 31.727 -28.51541      45.65446 
1 1 1 1   8  17 o 1631.01 23.197 565.368 16.022 529.542 27.603  583.572 19.676 1572.13 41.459 1655.64 28.063 -83.51184      50.06395 
1 1 1 1   8  18 o 755.714 18.773 121.252 6.0082 125.379 10.412  119.191 7.3565 766.512 32.075 748.740 23.201 17.77252       39.58650 
1 1 1 1   8  19 o 717.083 18.757 109.212 5.6960 112.887 9.8852  107.385 6.9692 726.924 32.111 710.496 23.162 16.42871       39.59296 
1 1 1 1   8  20 f 223.493 20.745 10.710  1.9411 10.752  3.2580  10.688  2.4169 221.216 36.016 222.434 26.157 -1.218460      44.51227 
1 1 1 1   8  21 o 838.518 23.656 149.737 8.4002 0.0000  0.0000  149.737 8.4002 ?       ?      838.518 23.656 0.000000       23.65559 
1 1 1 1   8  22 o 325.452 19.440 22.603  2.6670 22.088  4.4748  22.886  3.3215 319.256 33.602 326.811 24.170 -7.554871      41.39154 
1 1 1 1   8  23 o 909.138 24.245 176.469 9.3347 172.978 13.115  180.052 13.289 896.302 34.552 914.551 34.312 -18.24896      48.69437 
1 1 1 1   8  24 o 257.789 20.638 14.268  2.2342 14.161  3.7444  14.328  2.7841 253.349 35.904 257.323 25.901 -3.973465      44.27157 
1 1 1 1   8  25 o 568.922 18.949 69.068  4.5655 71.768  7.8528  67.689  5.6112 574.848 32.389 562.031 23.575 12.81781       40.06056 
1 1 1 1   8  26 o 168.730 24.077 6.2330  1.6717 4.3386  2.7342  7.3639  2.1125 139.349 42.482 182.673 28.216 -43.32394      50.99849 
1 1 1 1   8  27 o 335.206 34.660 24.930  4.8491 24.930  4.8491  0.0000  0.0000 335.206 34.660 ?       ?      0.000000       34.65952 
1 1 1 1   8  28 o 463.555 23.781 46.577  4.6527 0.0000  0.0000  46.577  4.6527 ?       ?      463.555 23.781 0.000000       23.78051 
1 1 1 1   8  29 o 292.133 37.715 19.442  4.5570 0.0000  0.0000  19.442  4.5570 ?       ?      292.133 37.715 0.000000       37.71534 
1 1 1 1   8  30 o 128.200 29.215 3.7655  1.5508 2.0052  2.7682  4.5707  1.8722 108.576 42.115 140.669 32.131 -32.09316      52.97270 
1 1 1 1   9  0  o 535.591 14.357 60.867  3.2565 60.867  3.2565  0.0000  0.0000 535.591 14.357 ?       ?      0.000000       14.35734 
1 1 1 1   9  1  o 256.237 10.418 13.918  1.1305 14.370  1.5924  13.458  1.6053 259.832 14.530 251.361 15.151 8.470963       20.99203 
1 1 1 1   9  2  o 495.338 16.170 52.090  3.3919 0.0000  0.0000  52.090  3.3919 ?       ?      495.338 16.170 0.000000       16.16950 
1 1 1 1   9  3  o 920.648 27.790 180.860 10.835 0.0000  0.0000  180.860 10.835 ?       ?      920.648 27.790 0.000000       27.79006 
1 1 1 1   9  4  o 778.625 19.159 128.841 6.3174 127.665 8.8815  130.045 8.9878 773.655 27.108 780.818 27.181 -7.162964      38.38777 
1 1 1 1   9  5  o 698.222 19.222 103.618 5.6837 103.897 7.9411  103.324 8.1386 697.914 26.868 695.843 27.618 2.071289       38.53102 
1 1 1 1   9  6  o 502.268 18.980 53.627  4.0372 51.154  5.6285  56.248  5.7941 488.787 27.300 512.721 26.778 -23.93390      38.24086 
1 1 1 1   9  7  o 259.601 19.304 14.411  2.1071 14.320  2.9186  14.511  3.0452 257.536 27.170 259.068 28.212 -1.531738      39.16793 
1 1 1 1   9  8  o 724.895 20.854 111.917 6.4019 108.009 8.8951  116.117 9.2210 710.039 29.582 736.208 29.576 -26.16858      41.83054 
1 1 1 1   9  9  o 368.444 20.268 29.015  3.1503 30.628  4.3990  27.316  4.5136 377.084 27.742 355.403 30.278 21.68094       41.06490 
1 1 1 1   9  10 o 450.439 29.167 43.776  5.5340 43.776  5.5340  0.0000  0.0000 450.439 29.167 ?       ?      0.000000       29.16727 
1 1 1 1   9  11 o 639.551 30.267 88.005  8.1976 88.005  8.1976  0.0000  0.0000 639.551 30.267 ?       ?      0.000000       30.26688 
1 1 1 1   9  12 o 521.725 21.501 58.048  4.7507 57.455  6.6411  58.670  6.7985 516.341 30.507 521.671 30.911 -5.329956      43.42977 
1 1 1 1   9  13 o 398.398 31.455 34.217  5.2639 0.0000  0.0000  34.217  5.2639 ?       ?      398.398 31.455 0.000000       31.45537 
1 1 1 1   9  14 o 1092.79 24.367 254.262 11.277 252.788 15.828  255.782 16.070 1086.66 34.394 1092.96 34.719 -6.302490      48.87101 
1 1 1 1   9  15 o 786.327 22.820 131.436 7.5992 118.786 10.622  144.698 10.876 745.833 33.630 823.657 31.181 -77.82379      45.86045 
1 1 1 1   9  16 o 568.765 22.367 68.731  5.3874 70.465  7.5124  66.896  7.7300 574.177 31.010 559.091 32.791 15.08612       45.13195 
1 1 1 1   9  17 o 699.127 22.813 103.875 6.7544 94.504  9.3969  113.892 9.7154 664.626 33.493 730.873 31.389 -66.24738      45.90274 
1 1 1 1   9  18 o 602.846 18.453 77.157  4.7110 77.117  8.0805  77.178  5.7983 600.287 31.900 602.517 22.724 -2.229614      39.16662 
1 1 1 1   9  19 o 1190.20 35.871 303.379 18.080 303.379 18.080  0.0000  0.0000 1190.20 35.871 ?       ?      0.000000       35.87080 
1 1 1 1   9  20 o 462.395 18.693 45.429  3.6604 40.720  6.2323  47.908  4.5227 434.757 34.124 474.481 22.508 -39.72394      40.87881 
1 1 1 1   9  21 o 630.230 22.989 84.566  6.1357 0.0000  0.0000  84.566  6.1357 ?       ?      630.230 22.989 0.000000       22.98908 
1 1 1 1   9  22 o 460.510 18.861 45.090  3.6783 43.830  6.3278  45.733  4.5204 450.873 33.377 463.315 23.039 -12.44235      40.55641 
1 1 1 1   9  23 o 691.847 23.422 102.169 6.8625 109.523 9.6620  94.682  9.7486 713.859 31.960 661.926 34.900 51.93280       47.32321 
1 1 1 1   9  24 o 162.242 26.150 5.7815  1.7356 5.0315  2.9606  6.1742  2.1424 149.927 43.851 166.617 31.516 -16.69048      54.00153 
1 1 1 1   9  25 o 200.739 22.361 8.7298  1.8686 9.0953  3.4149  8.5736  2.2325 200.032 41.665 197.807 27.385 2.225449       49.85888 
1 1 1 1   9  26 o 293.691 24.905 18.681  3.0684 25.047  4.4533  12.927  4.2338 338.317 31.442 238.098 43.595 100.2188       53.75090 
1 1 1 1   9  27 o 466.093 24.045 46.992  4.7299 50.520  6.6278  43.331  6.7522 479.005 32.872 441.516 36.438 37.48825       49.07406 
1 1 1 1   9  28 o 270.339 25.599 15.991  2.8958 0.0000  0.0000  15.991  2.8958 ?       ?      270.339 25.599 0.000000       25.59853 
1 1 1 1   9  29 o 526.636 23.815 60.220  5.3113 0.0000  0.0000  60.220  5.3113 ?       ?      526.636 23.815 0.000000       23.81485 
1 1 1 1   9  30 o 157.806 26.169 5.5888  1.6876 5.6266  3.0970  5.5729  2.0126 153.036 44.875 155.761 31.591 -2.724869      54.87982 
1 1 1 1   10 0  o 576.581 14.598 70.546  3.5645 0.0000  0.0000  70.546  3.5645 ?       ?      576.581 14.598 0.000000       14.59798 
1 1 1 1   10 1  o 300.186 14.394 19.121  1.8298 0.0000  0.0000  19.121  1.8298 ?       ?      300.186 14.394 0.000000       14.39350 
1 1 1 1   10 2  o 854.273 17.968 155.031 6.5004 0.0000  0.0000  155.031 6.5004 ?       ?      854.273 17.968 0.000000       17.96803 
1 1 1 1   10 3  o 428.980 16.942 39.078  3.0778 37.364  4.3002  40.880  4.4071 418.120 24.391 437.496 23.877 -19.37592      34.13248 
1 1 1 1   10 4  o 550.248 17.808 64.316  4.1498 65.115  5.8507  63.507  5.8870 552.799 24.992 545.869 25.466 6.929932       35.68039 
1 1 1 1   10 5  o 227.846 18.017 11.099  1.7242 12.499  2.4362  9.6930  2.4407 241.022 24.194 211.284 27.965 29.73849       36.97831 
1 1 1 1   10 6  f 343.260 18.327 25.116  2.6545 25.049  3.7003  25.186  3.8101 341.704 25.760 342.521 26.472 -0.8162842     36.93724 
1 1 1 1   10 7  o 224.971 19.113 10.843  1.8037 11.248  2.5073  10.408  2.5967 227.984 26.462 218.760 28.723 9.224014       39.05452 
1 1 1 1   10 8  o 319.564 19.576 21.822  2.6365 22.879  3.6634  20.687  3.7974 325.981 26.773 309.328 29.339 16.65341       39.71910 
1 1 1 1   10 9  o 205.732 20.571 9.1135  1.7682 8.5619  2.4626  9.7006  2.5404 197.371 30.442 210.613 29.274 -13.24135      42.23333 
1 1 1 1   10 10 o 232.048 29.199 11.749  2.8059 11.749  2.8059  0.0000  0.0000 232.048 29.199 ?       ?      0.000000       29.19946 
1 1 1 1   10 11 o 556.539 29.689 66.760  6.9720 66.760  6.9720  0.0000  0.0000 556.539 29.689 ?       ?      0.000000       29.68858 
1 1 1 1   10 12 o 646.877 30.899 89.846  8.4647 0.0000  0.0000  89.846  8.4647 ?       ?      646.877 30.899 0.000000       30.89932 
1 1 1 1   10 13 o 626.303 21.771 83.510  5.7744 87.292  8.0978  79.597  8.2366 638.793 29.934 608.720 32.064 30.07343       43.86508 
1 1 1 1   10 14 o 1489.73 26.972 472.958 17.016 467.990 23.895  478.069 24.237 1477.14 38.199 1492.89 38.337 -15.75403      54.11862 
1 1 1 1   10 15 o 1261.99 25.424 338.821 13.588 344.827 19.075  332.634 19.361 1270.31 35.457 1247.26 36.654 23.04944       50.99755 
1 1 1 1   10 16 o 576.010 22.151 70.488  5.4033 63.937  7.5281  77.450  7.7601 546.569 32.673 602.126 30.532 -55.55725      44.71845 
1 1 1 1   10 17 o 454.407 22.393 43.880  4.3093 48.030  6.0126  39.496  6.1795 473.784 30.123 428.737 34.322 45.04672       45.66614 
1 1 1 1   10 18 o 217.566 25.908 10.217  2.3402 9.9046  3.2648  10.547  3.3561 211.997 37.749 218.971 37.542 -6.974335      53.23930 
1 1 1 1   10 19 o 491.266 31.990 51.791  6.6192 51.791  6.6192  0.0000  0.0000 491.266 31.990 ?       ?      0.000000       31.99047 
1 1 1 1   10 20 o 660.599 23.093 92.898  6.4604 0.0000  0.0000  92.898  6.4604 ?       ?      660.599 23.093 0.000000       23.09291 
1 1 1 1   10 21 o 635.288 18.728 85.776  5.0384 81.029  8.6390  88.223  6.2026 614.127 33.342 643.720 22.753 -29.59344      40.36552 
1 1 1 1   10 22 o 811.574 19.258 140.088 6.6188 134.777 11.412  142.780 8.1250 792.330 34.010 818.462 23.441 -26.13208      41.30598 
1 1 1 1   10 23 o 629.365 23.113 84.560  6.1602 87.818  8.6915  81.273  8.7322 638.139 32.266 613.312 33.750 24.82648       46.69250 
1 1 1 1   10 24 o 264.137 20.620 14.982  2.2882 16.130  3.9830  14.417  2.7957 270.565 35.627 258.017 25.937 12.54767       44.06836 
1 1 1 1   10 25 o 310.647 19.729 20.695  2.5821 20.360  4.4919  20.860  3.1555 303.864 35.580 310.919 24.154 -7.055359      43.00461 
1 1 1 1   10 26 o 682.773 23.417 100.149 6.7710 103.795 9.6313  96.586  9.5210 690.250 32.948 664.499 33.947 25.75128       47.30716 
1 1 1 1   10 27 o 757.755 19.519 123.159 6.2638 127.042 10.783  121.182 7.6952 760.201 33.495 749.041 24.259 11.16052       41.35693 
1 1 1 1   10 28 o 328.996 24.962 23.596  3.4520 0.0000  0.0000  23.596  3.4520 ?       ?      328.996 24.962 0.000000       24.96217 
1 1 1 1   10 29 o 343.090 24.373 25.727  3.5183 0.0000  0.0000  25.727  3.5183 ?       ?      343.090 24.373 0.000000       24.37315 
1 1 1 1   10 30 o 102.521 30.270 2.3792  1.4049 5.2809  2.4899  1.0239  1.7016 149.322 38.962 83.748  32.868 65.57433       50.97432 
1 1 1 1   11 0  o 1181.63 15.382 296.359 7.6971 294.105 13.284  297.498 9.4442 1174.29 26.711 1183.18 18.848 -8.896484      32.69183 
1 1 1 1   11 1  f 321.434 10.082 21.900  1.3724 20.963  1.9343  22.850  1.9475 314.307 14.532 328.173 14.013 -13.86612      20.18773 
1 1 1 1   11 2  o 355.287 10.819 26.760  1.6278 25.668  2.2825  27.890  2.3222 347.747 15.499 362.508 15.127 -14.76102      21.65714 
1 1 1 1   11 3  o 657.775 14.078 91.800  3.9215 90.091  6.8487  92.633  4.7833 650.244 24.871 660.439 17.102 -10.19458      30.18336 
1 1 1 1   11 4  o 751.264 18.590 119.945 5.9145 119.446 8.2919  120.463 8.4386 748.360 26.164 751.469 26.517 -3.108215      37.25149 
1 1 1 1   11 5  o 363.659 17.505 28.099  2.6958 28.970  3.7990  27.216  3.8262 367.846 24.527 356.319 25.525 11.52679       35.39951 
1 1 1 1   11 6  o 319.034 17.982 21.704  2.4197 24.504  3.3938  18.810  3.4507 338.199 23.849 295.380 27.917 42.81934       36.71651 
1 1 1 1   11 7  o 253.749 18.564 13.769  1.9811 15.707  2.7743  11.754  2.8298 270.185 24.514 232.476 29.400 37.70828       38.27940 
1 1 1 1   11 8  o 611.256 19.713 79.585  5.1029 77.732  7.0892  81.577  7.3511 602.345 27.791 616.972 28.135 -14.62726      39.54638 
1 1 1 1   11 9  o 334.972 19.670 24.002  2.7781 23.099  3.8109  25.026  4.0585 326.935 27.788 340.239 28.427 -13.30444      39.75282 
1 1 1 1   11 10 o 331.507 27.747 23.755  3.8596 23.755  3.8596  0.0000  0.0000 331.507 27.747 ?       ?      0.000000       27.74716 
1 1 1 1   11 11 o 580.230 29.187 72.480  7.1489 72.480  7.1489  0.0000  0.0000 580.230 29.187 ?       ?      0.000000       29.18682 
1 1 1 1   11 12 o 397.525 30.604 34.089  5.1124 0.0000  0.0000  34.089  5.1124 ?       ?      397.525 30.604 0.000000       30.60359 
1 1 1 1   11 13 o 173.207 24.563 6.5186  1.7512 5.1935  2.3998  8.0282  2.5614 152.481 37.438 190.998 32.851 -38.51691      49.80770 
1 1 1 1   11 14 o 403.063 21.657 34.635  3.6831 33.606  5.1478  35.714  5.2718 395.600 30.975 407.936 30.742 -12.33603      43.64027 
1 1 1 1   11 15 o 680.304 22.223 98.344  6.4026 104.067 8.9857  92.441  9.1251 698.757 30.366 658.223 32.736 40.53448       44.65076 
1 1 1 1   11 16 o 471.887 21.937 47.308  4.3838 45.982  6.1266  48.699  6.2753 463.381 31.406 476.960 31.240 -13.57956      44.29763 
1 1 1 1   11 17 o 821.879 23.061 143.594 8.0265 150.833 11.254  136.100 11.451 840.893 31.602 798.334 33.870 42.55823       46.32379 
1 1 1 1   11 18 o 818.111 23.171 142.353 8.0280 138.899 11.221  145.976 11.490 806.318 32.861 826.612 32.824 -20.29480      46.44615 
1 1 1 1   11 19 o 302.821 34.363 19.875  4.3288 19.875  4.3288  0.0000  0.0000 302.821 34.363 ?       ?      0.000000       34.36330 
1 1 1 1   11 20 o 738.243 33.352 116.716 10.427 0.0000  0.0000  116.716 10.427 ?       ?      738.243 33.352 0.000000       33.35175 
1 1 1 1   11 21 o 596.233 18.757 75.560  4.7361 74.563  8.1025  76.078  5.8371 589.166 32.601 597.693 23.061 -8.527466      39.93275 
1 1 1 1   11 22 o 649.965 18.834 89.850  5.1842 93.188  8.9363  88.158  6.3647 659.175 32.012 643.045 23.372 16.12988       39.63600 
1 1 1 1   11 23 o 278.741 20.059 16.642  2.3521 12.432  4.0329  18.813  2.8955 235.748 41.931 295.890 23.296 -60.14204      47.96796 
1 1 1 1   11 24 o 582.304 18.867 72.308  4.6525 79.789  8.0701  68.583  5.6941 607.110 31.497 565.942 23.758 41.16864       39.45206 
1 1 1 1   11 25 o 670.441 19.062 95.984  5.4122 98.654  9.3451  94.637  6.6389 674.207 32.730 664.233 23.601 9.973267       40.35178 
1 1 1 1   11 26 o 692.750 33.569 104.776 9.8481 104.776 9.8481  0.0000  0.0000 692.750 33.569 ?       ?      0.000000       33.56858 
1 1 1 1   11 27 o 540.039 18.980 62.538  4.3408 59.552  7.4950  64.045  5.3247 518.668 34.316 544.875 23.076 -26.20660      41.35315 
1 1 1 1   11 28 o 239.592 26.136 12.618  2.6089 0.0000  0.0000  12.618  2.6089 ?       ?      239.592 26.136 0.000000       26.13647 
1 1 1 1   11 29 o 215.261 27.519 10.312  2.4512 0.0000  0.0000  10.312  2.4512 ?       ?      215.261 27.519 0.000000       27.51883 
1 1 1 1   11 30 o 357.233 19.994 27.678  3.0127 27.324  5.1915  27.858  3.6992 346.028 35.952 356.211 24.674 -10.18341      43.60477 
1 1 1 1   12 0  o 608.818 10.308 78.571  2.6577 77.638  3.7567  79.505  3.7605 604.856 14.666 612.104 14.507 -7.247498      20.62863 
1 1 1 1   12 1  o 202.356 10.010 8.6794  0.8578 8.9361  1.2071  8.4175  1.2193 204.751 14.005 198.633 14.597 6.118195       20.22940 
1 1 1 1   12 2  o 383.499 10.687 31.179  1.7356 30.560  2.4462  31.805  2.4629 379.448 15.223 387.111 15.024 -7.662140      21.38797 
1 1 1 1   12 3  o 893.898 15.057 169.606 5.7000 179.022 9.9086  164.948 6.9685 916.304 25.535 880.966 18.678 35.33710       31.63684 
1 1 1 1   12 4  o 774.725 18.570 127.579 6.0928 126.658 8.5328  128.537 8.7027 770.473 26.151 776.093 26.479 -5.619751      37.21553 
1 1 1 1   12 5  o 286.292 17.490 17.483  2.1104 17.319  2.9608  17.652  3.0087 283.886 24.879 286.597 25.041 -2.710724      35.29876 
1 1 1 1   12 6  o 109.232 21.465 2.6290  0.9575 2.7686  1.4043  2.5076  1.3090 111.709 29.316 106.439 28.481 5.270103       40.87281 
1 1 1 1   12 7  o 592.756 18.867 74.782  4.7360 78.677  6.6054  70.661  6.7940 606.670 25.710 574.443 27.928 32.22699       37.96027 
1 1 1 1   12 8  o 239.840 18.914 12.327  1.9055 10.309  2.6309  14.554  2.7635 217.220 29.352 259.578 25.467 -42.35786      38.85970 
1 1 1 1   12 9  o 341.692 19.615 24.974  2.8265 20.768  3.8351  29.974  4.1819 309.390 29.633 372.946 26.654 -63.55606      39.85637 
1 1 1 1   12 10 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   12 11 o 768.942 30.920 127.135 10.069 0.0000  0.0000  127.135 10.069 ?       ?      768.942 30.920 0.000000       30.91996 
1 1 1 1   12 12 o 307.772 31.063 20.509  3.9933 0.0000  0.0000  20.509  3.9933 ?       ?      307.772 31.063 0.000000       31.06291 
1 1 1 1   12 13 o 418.094 20.886 37.177  3.6981 38.372  5.1326  35.886  5.3330 422.967 28.826 408.543 31.057 14.42422       42.37291 
1 1 1 1   12 14 o 327.283 21.596 22.864  2.9764 24.649  4.1184  20.913  4.3065 338.824 28.981 311.173 33.192 27.65128       44.06385 
1 1 1 1   12 15 o 467.173 21.480 46.365  4.2497 46.013  5.9021  46.743  6.1240 463.694 30.221 467.227 31.128 -3.532959      43.38535 
1 1 1 1   12 16 o 615.270 21.998 80.431  5.7319 78.057  7.9546  82.995  8.2666 604.295 31.190 623.122 31.428 -18.82678      44.27755 
1 1 1 1   12 17 o 582.281 22.176 72.061  5.4685 76.284  7.6554  67.661  7.8143 597.371 30.361 562.014 32.977 35.35712       44.82426 
1 1 1 1   12 18 o 324.014 22.877 22.440  3.1189 22.705  4.3471  22.159  4.4774 324.489 32.053 320.254 33.509 4.234955       46.37092 
1 1 1 1   12 19 f 1258.40 36.198 339.553 19.291 339.553 19.291  0.0000  0.0000 1258.40 36.198 ?       ?      0.000000       36.19847 
1 1 1 1   12 20 o 633.057 33.043 86.052  8.8280 0.0000  0.0000  86.052  8.8280 ?       ?      633.057 33.043 0.000000       33.04321 
1 1 1 1   12 21 o 539.069 22.936 61.891  5.2362 56.767  7.2555  67.461  7.5643 513.523 33.547 560.385 32.007 -46.86108      46.36660 
1 1 1 1   12 22 o 1516.11 22.707 490.025 14.579 508.727 25.096  480.497 17.912 1535.02 38.605 1498.55 28.225 36.46545       47.82277 
1 1 1 1   12 23 o 492.512 18.753 51.667  3.9115 59.056  6.6647  47.786  4.8310 523.264 30.204 472.114 24.244 51.15082       38.73101 
1 1 1 1   12 24 o 716.773 19.103 109.609 5.7987 114.051 9.9423  107.319 7.1386 726.093 32.333 707.775 23.816 18.31726       40.15805 
1 1 1 1   12 25 o 613.617 19.029 80.420  4.9450 87.100  8.5357  77.045  6.0668 632.914 31.949 599.114 23.911 33.79980       39.90615 
1 1 1 1   12 26 o 848.274 34.238 157.503 12.300 157.503 12.300  0.0000  0.0000 848.274 34.238 ?       ?      0.000000       34.23846 
1 1 1 1   12 27 o 338.277 24.320 24.872  3.4607 0.0000  0.0000  24.872  3.4607 ?       ?      338.277 24.320 0.000000       24.31981 
1 1 1 1   12 28 o 181.119 30.758 7.3886  2.2749 9.5098  3.0956  4.8982  3.3543 203.540 37.287 146.094 47.409 57.44621       60.31461 
1 1 1 1   12 29 f 113.346 29.795 2.9416  1.4490 0.3177  2.5531  4.1886  1.7600 89.737  38.229 134.874 31.400 -45.13648      49.47122 
1 1 1 1   12 30 o 214.224 22.206 10.073  1.9853 15.444  3.4334  7.3752  2.4334 261.515 31.646 178.915 33.343 82.59970       45.96978 
1 1 1 1   13 0  o 832.855 11.294 147.076 3.9835 148.956 5.6362  145.199 5.6308 837.608 15.889 826.950 16.079 10.65771       22.60506 
1 1 1 1   13 1  o 309.099 9.8865 20.252  1.2942 20.239  1.8149  20.265  1.8459 308.846 13.876 309.031 14.105 -0.1851501     19.78607 
1 1 1 1   13 2  o 170.809 10.894 6.2109  0.7839 7.0784  1.1074  5.3397  1.1098 182.054 14.483 157.661 16.884 24.39296       22.24482 
1 1 1 1   13 3  o 977.466 15.333 202.848 6.3472 204.584 10.904  201.959 7.8058 979.118 26.298 974.647 18.912 4.471191       32.39184 
1 1 1 1   13 4  o 269.591 13.294 15.422  1.5178 16.258  2.6302  15.004  1.8585 275.326 22.762 265.243 16.629 10.08273       28.18899 
1 1 1 1   13 5  o 390.129 17.231 32.350  2.8469 30.653  3.9793  34.128  4.0747 378.174 24.987 399.262 24.213 -21.08841      34.79445 
1 1 1 1   13 6  o 192.985 18.107 7.9910  1.4625 7.9935  2.0859  7.9885  2.0512 191.617 26.406 191.642 25.941 -0.2516174E-01 37.01674 
1 1 1 1   13 7  o 178.288 19.053 6.8447  1.4163 7.6893  2.0009  5.9967  2.0049 187.882 25.831 164.697 29.845 23.18532       39.47095 
1 1 1 1   13 8  o 225.592 19.728 10.932  1.8658 11.677  2.4997  9.9959  2.8036 232.055 25.877 213.085 32.061 18.97035       41.20118 
1 1 1 1   13 9  o 191.611 28.140 8.0480  2.2154 8.0480  2.2154  0.0000  0.0000 191.611 28.140 ?       ?      0.000000       28.14006 
1 1 1 1   13 10 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   13 11 o 324.028 29.589 22.705  4.0155 0.0000  0.0000  22.705  4.0155 ?       ?      324.028 29.589 0.000000       29.58875 
1 1 1 1   13 12 o 317.818 20.740 21.589  2.7761 21.661  3.8133  21.508  4.0495 317.008 28.716 315.477 30.699 1.530792       42.03614 
1 1 1 1   13 13 o 563.194 20.815 67.438  4.9645 67.436  6.8534  67.439  7.2012 561.398 28.925 561.103 30.419 0.2950439      41.97568 
1 1 1 1   13 14 o 384.388 21.220 31.490  3.4409 32.876  4.7896  30.012  4.9464 391.695 29.082 373.737 31.547 17.95764       42.90650 
1 1 1 1   13 15 o 621.782 21.554 82.132  5.6756 77.538  7.8585  87.140  8.2057 602.331 30.912 639.442 30.302 -37.11072      43.28683 
1 1 1 1   13 16 o 493.533 21.619 51.749  4.5186 52.377  6.2645  51.069  6.5239 494.853 30.035 488.328 31.718 6.524872       43.68212 
1 1 1 1   13 17 o 830.377 22.866 146.607 8.0411 152.794 11.224  140.083 11.526 846.194 31.321 809.760 33.610 36.43365       45.94133 
1 1 1 1   13 18 o 261.370 33.759 14.847  3.6493 14.847  3.6493  0.0000  0.0000 261.370 33.759 ?       ?      0.000000       33.75872 
1 1 1 1   13 19 o 1080.48 24.546 248.678 11.232 248.796 15.687  248.555 16.088 1077.65 34.374 1076.80 35.280 0.8557129      49.25648 
1 1 1 1   13 20 o 801.373 33.435 137.600 11.347 0.0000  0.0000  137.600 11.347 ?       ?      801.373 33.435 0.000000       33.43547 
1 1 1 1   13 21 o 442.250 22.795 41.769  4.2547 38.128  5.8526  45.851  6.1962 420.450 33.138 461.591 31.893 -41.14096      45.99251 
1 1 1 1   13 22 o 791.085 23.580 133.541 7.8998 135.201 11.017  131.784 11.334 793.140 32.799 782.548 34.200 10.59198       47.38588 
1 1 1 1   13 23 o 193.199 23.827 8.1003  1.9082 8.0583  3.1747  8.1241  2.3876 188.856 40.880 192.077 30.362 -3.220871      50.92195 
1 1 1 1   13 24 o 569.345 19.014 69.174  4.5845 69.237  7.7252  69.139  5.6959 564.575 32.447 567.993 23.680 -3.417114      40.16867 
1 1 1 1   13 25 o 837.020 23.894 150.448 8.4699 158.738 11.925  142.009 12.032 854.411 32.958 806.636 35.222 47.77551       48.23680 
1 1 1 1   13 26 o 580.526 23.092 72.514  5.6771 66.006  7.9101  79.428  8.1526 547.692 34.276 602.361 32.075 -54.66882      46.94305 
1 1 1 1   13 27 o 287.799 26.017 18.121  3.1367 0.0000  0.0000  18.121  3.1367 ?       ?      287.799 26.017 0.000000       26.01688 
1 1 1 1   13 28 o 497.632 23.562 53.659  4.9655 56.042  6.9499  51.175  7.0970 502.264 32.855 478.153 35.298 24.11026       48.22228 
1 1 1 1   13 29 o 309.517 20.147 20.788  2.6264 20.180  4.3882  21.127  3.2785 297.571 35.524 309.960 25.194 -12.38898      43.55117 
1 1 1 1   13 30 o 283.499 20.546 17.494  2.4500 22.177  4.1688  15.023  3.0281 313.749 31.815 259.571 27.989 54.17813       42.37449 
1 1 1 1   14 0  o 332.910 9.5653 23.492  1.3486 23.748  1.9066  23.235  1.9078 334.550 13.457 330.913 13.613 3.637543       19.14186 
1 1 1 1   14 1  o 141.494 10.706 4.2690  0.6368 3.7213  0.8868  4.8519  0.9149 131.374 16.289 150.497 14.536 -19.12253      21.83163 
1 1 1 1   14 2  o 517.293 10.786 56.738  2.3628 56.440  3.3342  57.040  3.3488 515.579 15.271 518.313 15.256 -2.734314      21.58587 
1 1 1 1   14 3  o 150.782 11.834 4.8518  0.7496 5.1172  1.0739  4.5997  1.0468 154.303 16.701 146.120 17.249 8.183548       24.00904 
1 1 1 1   14 4  o 488.658 13.495 50.680  2.7927 53.594  4.8553  49.239  3.4140 501.421 22.865 481.358 16.747 20.06311       28.34224 
1 1 1 1   14 5  o 346.469 17.125 25.521  2.5127 28.539  3.5245  22.402  3.5831 365.100 22.911 322.655 26.455 42.44476       34.99714 
1 1 1 1   14 6  o 243.357 17.707 12.666  1.8123 11.489  2.5252  13.915  2.6026 230.267 26.371 254.051 24.494 -23.78400      35.99115 
1 1 1 1   14 7  o 388.021 18.042 32.059  2.9647 31.293  4.1172  32.883  4.2725 381.450 25.636 390.991 25.951 -9.541077      36.47791 
1 1 1 1   14 8  o 232.192 26.858 11.715  2.5923 11.715  2.5923  0.0000  0.0000 232.192 26.858 ?       ?      0.000000       26.85830 
1 1 1 1   14 9  o 292.956 27.356 18.579  3.3546 18.579  3.3546  0.0000  0.0000 292.956 27.356 ?       ?      0.000000       27.35569 
1 1 1 1   14 10 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   14 11 o 482.169 20.101 49.508  4.1045 47.375  5.6635  51.869  5.9569 469.459 28.623 491.266 28.758 -21.80753      40.57469 
1 1 1 1   14 12 o 818.966 21.361 142.739 7.4083 145.603 10.242  139.596 10.729 825.307 29.304 807.547 31.372 17.76062       42.92941 
1 1 1 1   14 13 o 1281.16 24.526 349.401 13.307 358.002 18.483  340.145 19.174 1293.79 33.733 1260.27 35.926 33.52185       49.28090 
1 1 1 1   14 14 o 940.992 22.502 188.202 8.9669 193.120 12.419  182.847 12.961 951.638 30.816 925.487 33.068 26.15149       45.20089 
1 1 1 1   14 15 o 847.995 22.184 152.794 7.9666 139.429 10.971  167.703 11.587 808.540 32.040 886.973 30.848 -78.43323      44.47675 
1 1 1 1   14 16 o 664.665 21.730 93.874  6.1166 86.235  8.3989  102.501 8.9256 635.867 31.190 693.373 30.397 -57.50604      43.55181 
1 1 1 1   14 17 o 522.251 21.664 57.976  4.7913 57.368  6.6135  58.648  6.9509 517.688 30.298 523.220 31.517 -5.532227      43.71864 
1 1 1 1   14 18 o 624.292 30.770 83.255  8.1351 83.255  8.1351  0.0000  0.0000 624.292 30.770 ?       ?      0.000000       30.77033 
1 1 1 1   14 19 o 1000.88 34.539 214.715 14.640 0.0000  0.0000  214.715 14.640 ?       ?      1000.88 34.539 0.000000       34.53862 
1 1 1 1   14 20 o 308.290 23.792 20.367  3.0822 18.668  4.1263  22.511  4.6360 293.229 33.850 322.214 34.512 -28.98456      48.34132 
1 1 1 1   14 21 o 297.945 23.792 19.042  2.9769 15.712  4.0799  22.833  4.3534 267.834 36.955 324.874 32.060 -57.03949      48.92358 
1 1 1 1   14 22 o 656.497 22.977 91.975  6.3882 88.496  8.8679  95.728  9.2103 640.587 32.799 667.135 32.600 -26.54797      46.24403 
1 1 1 1   14 23 o 178.978 30.535 7.0841  2.2314 6.2709  3.0007  8.0900  3.3374 166.177 42.477 188.715 42.751 -22.53760      60.26572 
1 1 1 1   14 24 o 127.682 33.695 3.6664  1.8485 3.9188  2.5042  3.3643  2.7401 133.091 40.672 127.020 42.902 6.071877       59.11688 
1 1 1 1   14 25 o 382.948 23.575 31.610  3.8047 31.794  5.2873  31.412  5.4793 380.844 33.112 377.945 34.618 2.899506       47.90414 
1 1 1 1   14 26 o 727.437 23.636 114.060 7.2814 117.137 10.158  110.807 10.443 731.239 32.801 709.761 34.744 21.47791       47.78126 
1 1 1 1   14 27 o 285.340 26.536 17.850  3.1699 0.0000  0.0000  17.850  3.1699 ?       ?      285.340 26.536 0.000000       26.53611 
1 1 1 1   14 28 o 209.671 29.983 9.8438  2.5865 6.6758  3.4249  14.049  3.9460 166.992 46.638 247.090 39.004 -80.09865      60.79802 
1 1 1 1   14 29 o 125.846 28.968 3.6311  1.5119 5.9684  2.3898  2.0714  1.9522 159.636 36.186 101.110 36.090 58.52602       51.10674 
1 1 1 1   14 30 o 431.805 19.515 40.309  3.5686 50.680  6.1910  35.148  4.3672 476.057 30.875 399.327 25.965 76.73001       40.34176 
1 1 1 1   15 0  o 392.461 9.6792 32.651  1.6087 33.775  2.2829  31.542  2.2673 398.944 13.512 385.509 13.888 13.43506       19.37661 
1 1 1 1   15 1  o 189.974 10.099 7.6731  0.8095 7.3691  1.1404  7.9819  1.1494 185.738 14.616 193.404 14.131 -7.665817      20.33019 
1 1 1 1   15 2  o 702.795 11.334 104.755 3.3732 105.685 4.7609  103.816 4.7801 705.352 15.938 699.059 16.146 6.293274       22.68775 
1 1 1 1   15 3  o 171.948 11.385 6.2986  0.8244 6.8494  1.1675  5.7508  1.1642 178.898 15.565 163.611 17.053 15.28767       23.08805 
1 1 1 1   15 4  o 282.685 13.456 16.964  1.6109 18.467  2.7041  16.137  2.0056 293.532 21.912 274.944 17.314 18.58734       27.92627 
1 1 1 1   15 5  o 594.726 14.205 75.124  3.5778 72.804  6.1538  76.308  4.3974 583.628 24.898 598.950 17.336 -15.32147      30.33911 
1 1 1 1   15 6  o 381.843 17.439 31.031  2.8200 29.724  3.9135  32.442  4.0670 371.910 24.992 388.654 24.840 -16.74405      35.23670 
1 1 1 1   15 7  o 472.485 25.386 47.964  5.0610 47.964  5.0610  0.0000  0.0000 472.485 25.386 ?       ?      0.000000       25.38642 
1 1 1 1   15 8  o 344.802 26.466 25.652  3.8351 25.652  3.8351  0.0000  0.0000 344.802 26.466 ?       ?      0.000000       26.46606 
1 1 1 1   15 9  o 352.547 27.908 26.845  4.1326 0.0000  0.0000  26.845  4.1326 ?       ?      352.547 27.908 0.000000       27.90763 
1 1 1 1   15 10 o 507.208 28.154 55.319  6.0236 0.0000  0.0000  55.319  6.0236 ?       ?      507.208 28.154 0.000000       28.15361 
1 1 1 1   15 11 o 693.221 20.376 102.303 5.9819 94.379  8.2251  111.201 8.7156 663.949 29.253 720.883 28.549 -56.93408      40.87475 
1 1 1 1   15 12 o 598.817 20.415 76.252  5.1771 82.639  7.1762  69.320  7.4762 622.362 27.228 568.515 31.171 53.84668       41.38817 
1 1 1 1   15 13 o 447.868 20.529 42.622  3.8937 46.046  5.4075  38.936  5.6113 464.040 27.642 425.951 31.327 38.08850       41.77853 
1 1 1 1   15 14 o 872.234 21.962 161.664 8.1124 158.173 11.187  165.536 11.782 861.325 30.669 880.961 31.579 -19.63660      44.02082 
1 1 1 1   15 15 o 1069.11 23.286 242.975 10.543 239.190 14.573  247.131 15.271 1058.79 32.501 1075.96 33.515 -17.17346      46.68550 
1 1 1 1   15 16 o 589.257 21.367 73.783  5.3320 75.259  7.3383  72.133  7.7604 594.217 29.161 580.560 31.684 13.65723       43.06119 
1 1 1 1   15 17 o 509.080 21.379 55.093  4.6091 56.701  6.3216  53.268  6.7345 514.789 29.116 498.349 32.080 16.44040       43.32331 
1 1 1 1   15 18 o 512.815 30.221 56.367  6.5340 56.367  6.5340  0.0000  0.0000 512.815 30.221 ?       ?      0.000000       30.22050 
1 1 1 1   15 19 o 419.615 32.788 37.929  5.7803 0.0000  0.0000  37.929  5.7803 ?       ?      419.615 32.788 0.000000       32.78813 
1 1 1 1   15 20 o 231.629 25.264 11.574  2.4380 10.281  3.3087  13.109  3.6062 215.680 37.591 244.594 35.881 -28.91408      51.96698 
1 1 1 1   15 21 o 1076.89 24.498 247.411 11.173 242.608 15.472  252.646 16.151 1062.54 34.383 1083.93 35.185 -21.38440      49.19531 
1 1 1 1   15 22 o 468.810 22.738 46.920  4.5144 41.034  6.1775  53.666  6.6135 435.052 33.795 498.581 31.484 -63.52927      46.18773 
1 1 1 1   15 23 o 193.757 28.908 8.2481  2.2994 4.4374  2.9831  13.827  3.6095 142.208 44.548 250.286 35.012 -108.0778      56.65961 
1 1 1 1   15 24 o 425.341 23.225 38.902  4.1676 34.718  5.6929  43.733  6.1179 398.214 34.086 447.886 32.475 -49.67264      47.07975 
1 1 1 1   15 25 o 403.808 23.235 35.139  3.9566 30.291  5.4595  40.503  5.7422 370.593 35.209 430.496 31.720 -59.90259      47.39054 
1 1 1 1   15 26 o 300.074 24.859 19.592  3.1306 19.662  4.2897  19.512  4.5792 296.901 34.776 294.538 37.567 2.362457       51.19213 
1 1 1 1   15 27 o 194.047 30.523 8.4439  2.4255 0.0000  0.0000  8.4439  2.4255 ?       ?      194.047 30.523 0.000000       30.52348 
1 1 1 1   15 28 o 474.692 35.103 50.640  7.0066 0.0000  0.0000  50.640  7.0066 ?       ?      474.692 35.103 0.000000       35.10266 
1 1 1 1   15 29 o 331.788 20.066 23.899  2.8062 24.065  4.7198  23.809  3.4901 325.114 34.822 328.815 25.257 -3.700531      43.01688 
1 1 1 1   16 0  o 552.406 10.144 64.703  2.3731 67.055  3.3497  62.332  3.3625 562.006 14.074 541.791 14.655 20.21539       20.31886 
1 1 1 1   16 1  o 423.295 10.014 37.991  1.7952 39.275  2.5365  36.703  2.5410 430.116 13.925 415.757 14.432 14.35870       20.05481 
1 1 1 1   16 2  o 392.295 10.378 32.635  1.7242 32.322  2.4242  32.956  2.4528 390.119 14.674 393.923 14.703 -3.804291      20.77227 
1 1 1 1   16 3  o 284.288 11.014 17.143  1.3260 17.202  1.8375  17.079  1.9155 284.135 15.328 283.025 16.047 1.109955       22.19119 
1 1 1 1   16 4  o 94.145  18.362 1.9509  0.7058 2.3459  1.0285  1.5994  0.9703 102.763 24.058 85.743  25.111 17.01979       34.77562 
1 1 1 1   16 5  o 377.589 17.010 30.336  2.7200 31.501  3.7427  29.032  3.9597 383.300 23.166 367.400 25.610 15.90036       34.53267 
1 1 1 1   16 6  o 689.605 18.088 101.308 5.2825 91.749  7.4989  110.724 7.4425 653.819 27.083 719.152 24.437 -65.33313      36.47853 
1 1 1 1   16 7  f 687.113 26.200 101.277 7.6239 101.277 7.6239  0.0000  0.0000 687.113 26.200 ?       ?      0.000000       26.20021 
1 1 1 1   16 8  o 646.248 27.130 89.658  7.4250 0.0000  0.0000  89.658  7.4250 ?       ?      646.248 27.130 0.000000       27.13012 
1 1 1 1   16 9  o 267.757 28.279 15.555  3.1581 0.0000  0.0000  15.555  3.1581 ?       ?      267.757 28.279 0.000000       28.27925 
1 1 1 1   16 10 o 387.399 27.882 32.299  4.5438 0.0000  0.0000  32.299  4.5438 ?       ?      387.399 27.882 0.000000       27.88238 
1 1 1 1   16 11 o 205.079 22.421 9.0629  1.9155 10.080  2.6595  7.9666  2.7613 215.037 30.023 189.572 35.705 25.46452       46.65005 
1 1 1 1   16 12 o 812.863 21.063 140.496 7.2508 139.630 9.9889  141.461 10.542 808.808 29.163 813.770 30.589 -4.962280      42.26301 
1 1 1 1   16 13 o 985.353 22.255 206.396 9.2868 210.463 12.846  201.943 13.441 993.299 30.538 972.479 32.638 20.82050       44.69663 
1 1 1 1   16 14 o 1434.06 25.498 437.522 15.485 429.702 21.487  445.972 22.336 1417.94 35.782 1444.26 36.519 -26.31604      51.12711 
1 1 1 1   16 15 o 409.698 20.670 35.745  3.5748 32.902  4.8439  39.144  5.2976 391.853 29.404 427.593 29.435 -35.73996      41.60519 
1 1 1 1   16 16 o 463.288 20.960 45.609  4.1124 48.884  5.6938  42.038  5.9459 478.123 28.246 442.630 31.935 35.49292       42.63374 
1 1 1 1   16 17 o 526.094 29.554 59.252  6.5578 59.252  6.5578  0.0000  0.0000 526.094 29.554 ?       ?      0.000000       29.55396 
1 1 1 1   16 18 o 463.198 21.595 45.644  4.2361 51.592  5.8224  38.955  6.1745 490.870 28.126 425.001 34.606 65.86966       44.59449 
1 1 1 1   16 19 o 841.539 33.187 151.754 11.827 0.0000  0.0000  151.754 11.827 ?       ?      841.539 33.187 0.000000       33.18675 
1 1 1 1   16 20 o 698.425 22.425 103.885 6.6328 108.627 9.1329  98.593  9.6486 712.508 30.267 677.981 33.605 34.52692       45.22614 
1 1 1 1   16 21 o 173.271 29.271 6.6010  2.0713 3.9904  2.7089  10.276  3.2140 135.962 42.428 215.562 36.511 -79.60043      55.97497 
1 1 1 1   16 22 o 856.720 23.412 156.861 8.4943 153.017 11.728  161.102 12.319 842.393 32.875 863.982 33.670 -21.58887      47.05757 
1 1 1 1   16 23 o 334.191 23.824 24.045  3.3496 23.365  4.5584  24.844  4.9386 326.811 33.406 336.532 35.172 -9.721039      48.50780 
1 1 1 1   16 24 o 697.215 23.225 104.283 6.8576 108.274 9.4625  99.868  9.9521 706.531 31.625 676.003 34.882 30.52814       47.08423 
1 1 1 1   16 25 o 303.512 34.490 20.395  4.3544 20.395  4.3544  0.0000  0.0000 303.512 34.490 ?       ?      0.000000       34.48965 
1 1 1 1   16 26 o 413.193 23.639 36.993  4.1193 37.477  5.6646  36.449  6.0009 411.647 32.765 404.516 35.386 7.131073       48.22570 
1 1 1 1   16 27 o 144.111 36.320 4.8071  2.2158 0.0000  0.0000  4.8071  2.2158 ?       ?      144.111 36.320 0.000000       36.32034 
1 1 1 1   16 28 o 278.550 39.453 17.926  4.5239 0.0000  0.0000  17.926  4.5239 ?       ?      278.550 39.453 0.000000       39.45290 
1 1 1 1   16 29 o 224.859 22.591 11.110  2.1222 10.145  3.4777  11.682  2.6788 206.504 41.211 228.353 28.307 -21.84860      49.99605 
1 1 1 1   17 0  o 181.199 10.471 6.9866  0.8001 7.1863  1.1091  6.7698  1.1553 183.386 14.396 177.825 15.497 5.560501       21.15187 
1 1 1 1   17 1  o 364.686 10.006 28.203  1.5454 27.079  2.1616  29.378  2.2102 357.070 14.294 371.939 14.032 -14.86798      20.03061 
1 1 1 1   17 2  o 286.689 10.454 17.433  1.2692 16.268  1.7456  18.739  1.8487 276.305 14.974 296.991 14.699 -20.68561      20.98238 
1 1 1 1   17 3  o 650.726 13.390 89.921  3.6901 88.706  4.4356  92.651  6.6500 645.882 16.217 658.476 23.847 -12.59375      28.83850 
1 1 1 1   17 4  o 355.527 16.214 26.886  2.4412 26.886  2.4412  0.0000  0.0000 355.527 16.214 ?       ?      0.000000       16.21410 
1 1 1 1   17 5  o 325.573 17.075 22.628  2.3460 21.392  3.2939  23.901  3.3421 315.074 24.889 333.371 23.830 -18.29633      34.45732 
1 1 1 1   17 6  o 404.472 17.497 34.845  2.9971 32.307  4.1765  37.539  4.3034 387.363 25.604 417.975 24.418 -30.61237      35.38092 
1 1 1 1   17 7  o 374.341 25.695 30.190  4.0488 0.0000  0.0000  30.190  4.0488 ?       ?      374.341 25.695 0.000000       25.69528 
1 1 1 1   17 8  o 333.818 26.709 24.047  3.7442 0.0000  0.0000  24.047  3.7442 ?       ?      333.818 26.709 0.000000       26.70935 
1 1 1 1   17 9  o 351.356 26.947 26.592  3.9790 26.592  3.9790  0.0000  0.0000 351.356 26.947 ?       ?      0.000000       26.94670 
1 1 1 1   17 10 o 496.804 19.167 52.517  4.0325 53.148  5.5821  51.827  5.8318 497.982 26.565 491.377 28.142 6.604584       38.69987 
1 1 1 1   17 11 o 862.585 20.687 158.272 7.5568 162.073 10.479  154.154 10.908 871.124 28.405 849.065 30.335 22.05908       41.55799 
1 1 1 1   17 12 o 445.741 19.829 42.215  3.7431 42.450  5.0959  41.941  5.5163 445.499 27.140 442.389 29.615 3.109497       40.16985 
1 1 1 1   17 13 o 628.958 20.493 84.032  5.4583 80.757  7.4809  87.760  7.9820 615.638 28.693 641.682 29.373 -26.04333      41.06201 
1 1 1 1   17 14 o 589.192 20.524 73.734  5.1212 68.830  7.0158  79.327  7.4926 567.614 29.286 610.192 28.995 -42.57831      41.21149 
1 1 1 1   17 15 o 1828.44 28.903 712.475 22.381 713.689 31.156  711.180 32.170 1824.47 40.324 1820.46 41.728 4.009521       58.02813 
1 1 1 1   17 16 o 886.617 22.133 167.142 8.3105 171.565 11.423  162.168 12.113 896.702 30.080 871.167 32.833 25.53516       44.52919 
1 1 1 1   17 17 o 920.068 31.176 180.910 12.147 180.910 12.147  0.0000  0.0000 920.068 31.176 ?       ?      0.000000       31.17582 
1 1 1 1   17 18 o 763.761 32.190 124.860 10.412 0.0000  0.0000  124.860 10.412 ?       ?      763.761 32.190 0.000000       32.19025 
1 1 1 1   17 19 o 431.548 22.043 39.750  4.0150 39.525  5.4793  40.010  5.9002 428.802 30.370 430.959 32.569 -2.157196      44.53166 
1 1 1 1   17 20 o 505.980 21.894 54.521  4.6914 51.832  6.4101  57.624  6.8844 490.998 30.987 517.662 31.554 -26.66406      44.22496 
1 1 1 1   17 21 o 529.714 22.024 59.830  4.9406 60.212  6.7799  59.399  7.2144 528.904 30.397 524.664 32.631 4.240479       44.59573 
1 1 1 1   17 22 o 581.492 22.359 72.250  5.5061 72.855  7.5592  71.567  8.0364 580.783 30.844 574.738 33.159 6.044983       45.28651 
1 1 1 1   17 23 o 178.735 28.933 7.0546  2.1152 8.1517  2.8728  5.7558  3.1258 190.349 36.970 159.042 44.604 31.30777       57.93330 
1 1 1 1   17 24 o 211.552 27.051 9.7994  2.3680 8.2660  3.1779  11.714  3.5509 190.306 40.665 228.318 38.065 -38.01208      55.70100 
1 1 1 1   17 25 o 311.252 33.418 21.419  4.3359 21.419  4.3359  0.0000  0.0000 311.252 33.418 ?       ?      0.000000       33.41768 
1 1 1 1   17 26 o 545.915 34.366 66.166  7.9045 0.0000  0.0000  66.166  7.9045 ?       ?      545.915 34.366 0.000000       34.36584 
1 1 1 1   17 27 o 143.881 32.525 4.7466  1.9352 4.5220  2.4627  5.1092  3.1292 139.500 39.756 147.907 45.510 -8.406967      60.42951 
1 1 1 1   17 28 o 294.230 26.507 19.124  3.2674 0.0000  0.0000  19.124  3.2674 ?       ?      294.230 26.507 0.000000       26.50727 
1 1 1 1   17 29 o 393.764 19.573 33.546  3.2639 30.998  5.3338  35.071  4.1268 369.036 34.530 399.537 24.509 -30.50037      42.34403 
1 1 1 1   18 0  o 625.805 12.107 83.125  3.2086 81.109  3.9050  87.315  5.6295 617.785 14.926 639.894 20.774 -22.10883      25.57986 
1 1 1 1   18 1  o 357.166 14.098 27.101  2.1324 27.101  2.1324  0.0000  0.0000 357.166 14.098 ?       ?      0.000000       14.09815 
1 1 1 1   18 2  o 350.836 14.979 26.163  2.2255 26.163  2.2255  0.0000  0.0000 350.836 14.979 ?       ?      0.000000       14.97860 
1 1 1 1   18 3  o 357.349 15.567 27.158  2.3558 27.158  2.3558  0.0000  0.0000 357.349 15.567 ?       ?      0.000000       15.56674 
1 1 1 1   18 4  o 604.222 16.073 77.687  4.1128 76.658  5.8223  78.712  5.8105 598.675 22.965 606.735 22.614 -8.059998      32.22978 
1 1 1 1   18 5  o 180.313 16.445 6.9772  1.2419 5.5175  2.1180  7.7421  1.5332 156.966 32.914 189.558 19.371 -32.59203      38.19106 
1 1 1 1   18 6  o 336.251 17.947 24.162  2.5464 0.0000  0.0000  24.162  2.5464 ?       ?      336.251 17.947 0.000000       17.94695 
1 1 1 1   18 7  f 248.010 19.203 13.191  2.0012 0.0000  0.0000  13.191  2.0012 ?       ?      248.010 19.203 0.000000       19.20292 
1 1 1 1   18 8  o 661.899 18.650 93.317  5.2278 90.071  7.2933  96.748  7.4975 648.322 26.564 671.990 26.346 -23.66730      37.41292 
1 1 1 1   18 9  o 338.928 26.296 24.712  3.7448 24.712  3.7448  0.0000  0.0000 338.928 26.296 ?       ?      0.000000       26.29597 
1 1 1 1   18 10 o 812.708 20.030 140.524 6.8937 136.860 9.6022  144.421 9.9030 800.141 28.337 821.915 28.451 -21.77374      40.15549 
1 1 1 1   18 11 o 1087.03 21.928 251.378 10.095 250.891 14.047  251.898 14.516 1083.58 30.612 1085.44 31.579 -1.857056      43.98092 
1 1 1 1   18 12 o 546.328 19.865 63.406  4.5959 60.711  6.3081  66.456  6.7098 533.006 28.045 557.640 28.508 -24.63385      39.99017 
1 1 1 1   18 13 o 867.840 21.246 160.018 7.8085 164.929 10.758  154.548 11.352 879.796 28.873 851.155 31.494 28.64117       42.72611 
1 1 1 1   18 14 o 548.265 20.464 63.851  4.7515 63.894  6.5223  63.802  6.9360 546.951 28.255 546.240 30.100 0.7109985      41.28349 
1 1 1 1   18 15 o 462.776 20.331 45.499  3.9845 44.469  5.4602  46.673  5.8275 455.916 28.421 466.912 29.625 -10.99530      41.05379 
1 1 1 1   18 16 o 543.585 28.556 63.195  6.5507 63.195  6.5507  0.0000  0.0000 543.585 28.556 ?       ?      0.000000       28.55609 
1 1 1 1   18 17 o 483.803 20.864 49.779  4.2747 44.107  5.8082  56.481  6.3141 453.307 30.432 513.479 29.157 -60.17215      42.14550 
1 1 1 1   18 18 o 419.370 31.829 37.861  5.6106 0.0000  0.0000  37.861  5.6106 ?       ?      419.370 31.829 0.000000       31.82864 
1 1 1 1   18 19 o 542.881 21.623 62.740  4.9713 59.796  6.7817  66.159  7.3089 527.756 30.473 555.028 31.222 -27.27197      43.62811 
1 1 1 1   18 20 o 539.102 21.801 61.909  4.9773 63.396  6.7643  60.153  7.3501 543.420 29.503 528.381 33.013 15.03839       44.27544 
1 1 1 1   18 21 f 205.311 26.572 9.1689  2.2562 9.6591  3.0247  8.5541  3.3873 208.810 35.475 194.729 42.287 14.08102       55.19616 
1 1 1 1   18 22 o 610.230 22.283 79.615  5.7586 80.356  7.8614  78.756  8.4591 610.542 30.405 602.523 33.281 8.019836       45.07842 
1 1 1 1   18 23 o 286.720 23.507 17.745  2.8292 15.007  3.7792  21.236  4.2673 260.340 35.179 311.189 32.879 -50.84900      48.15138 
1 1 1 1   18 24 o 356.583 22.964 27.409  3.4493 22.962  4.6794  32.700  5.1043 322.462 34.819 386.755 31.436 -64.29254      46.91071 
1 1 1 1   18 25 o 341.310 32.900 25.741  4.6966 25.741  4.6966  0.0000  0.0000 341.310 32.900 ?       ?      0.000000       32.90033 
1 1 1 1   18 26 o 318.958 36.116 22.905  4.7925 0.0000  0.0000  22.905  4.7925 ?       ?      318.958 36.116 0.000000       36.11645 
1 1 1 1   18 27 o 229.850 26.758 11.680  2.5558 10.306  3.3953  13.477  3.8826 210.637 39.514 241.697 39.281 -31.06042      55.71618 
1 1 1 1   18 28 o 153.044 46.102 5.6541  3.2342 0.0000  0.0000  5.6541  3.2342 ?       ?      153.044 46.102 0.000000       46.10233 
1 1 1 1   18 29 o 88.181  30.707 1.5964  1.4066 0.2997  2.0823  2.6847  1.9076 81.571  34.631 109.526 35.762 -27.95546      49.78222 
1 1 1 1   19 0  o 379.164 14.554 30.561  2.3370 30.561  2.3370  0.0000  0.0000 379.164 14.554 ?       ?      0.000000       14.55407 
1 1 1 1   19 1  o 307.030 12.110 20.016  1.5747 19.374  1.9108  21.375  2.7797 301.845 14.948 315.746 20.906 -13.90152      25.70074 
1 1 1 1   19 2  o 548.218 12.345 63.827  2.8660 60.872  4.8334  65.428  3.5592 533.810 21.381 554.641 15.153 -20.83051      26.20570 
1 1 1 1   19 3  o 154.382 19.951 5.1685  1.2739 0.0000  0.0000  5.1685  1.2739 ?       ?      154.382 19.951 0.000000       19.95105 
1 1 1 1   19 4  o 369.519 16.627 29.072  2.6019 0.0000  0.0000  29.072  2.6019 ?       ?      369.519 16.627 0.000000       16.62708 
1 1 1 1   19 5  o 414.178 16.800 36.531  2.9467 0.0000  0.0000  36.531  2.9467 ?       ?      414.178 16.800 0.000000       16.79975 
1 1 1 1   19 6  o 549.656 14.239 64.221  3.3146 61.291  5.6375  65.769  4.0976 534.856 24.889 555.711 17.412 -20.85498      30.37481 
1 1 1 1   19 7  o 875.773 15.807 163.127 5.8626 162.424 10.098  163.484 7.2003 870.025 27.407 875.745 19.415 -5.719666      33.58715 
1 1 1 1   19 8  o 575.653 14.870 70.407  3.6250 75.330  6.2004  67.850  4.4682 593.672 24.662 564.547 18.689 29.12500       30.94342 
1 1 1 1   19 9  o 717.960 26.764 110.162 8.1375 110.162 8.1375  0.0000  0.0000 717.960 26.764 ?       ?      0.000000       26.76381 
1 1 1 1   19 10 o 860.006 20.218 157.296 7.3636 155.772 10.248  158.922 10.588 854.036 28.334 862.456 28.989 -8.420044      40.53593 
1 1 1 1   19 11 o 1215.90 22.760 314.500 11.719 310.743 16.343  318.478 16.814 1205.90 32.002 1220.63 32.528 -14.73230      45.63112 
1 1 1 1   19 12 o 705.307 19.868 105.661 5.9344 101.274 8.1949  110.499 8.6050 689.448 28.067 720.138 28.216 -30.69092      39.79815 
1 1 1 1   19 13 o 799.984 20.760 135.950 7.0331 142.957 9.7099  128.217 10.201 819.261 27.986 775.347 31.067 43.91370       41.81372 
1 1 1 1   19 14 o 1040.45 22.318 230.118 9.8340 230.331 13.545  229.881 14.301 1039.11 30.779 1037.65 32.544 1.466187       44.79387 
1 1 1 1   19 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   19 16 o 456.878 28.117 44.695  5.4138 44.695  5.4138  0.0000  0.0000 456.878 28.117 ?       ?      0.000000       28.11748 
1 1 1 1   19 17 o 789.961 31.887 133.549 10.667 0.0000  0.0000  133.549 10.667 ?       ?      789.961 31.887 0.000000       31.88681 
1 1 1 1   19 18 o 320.434 21.738 21.957  2.9324 22.420  3.9146  21.364  4.4265 322.608 28.961 313.866 33.837 8.741333       44.53870 
1 1 1 1   19 19 o 876.365 22.365 163.590 8.3005 150.059 11.331  179.256 12.193 836.765 31.977 914.726 31.476 -77.96033      44.86943 
1 1 1 1   19 20 o 462.862 22.002 45.662  4.3128 50.053  5.9044  40.639  6.3148 482.604 29.025 433.253 34.708 49.35110       45.24478 
1 1 1 1   19 21 o 985.489 23.394 207.555 9.7633 190.335 13.329  227.491 14.341 939.187 33.512 1027.08 32.972 -87.89203      47.01262 
1 1 1 1   19 22 o 551.767 21.966 65.115  5.1326 56.645  6.9425  75.326  7.6224 510.739 32.263 589.940 30.615 -79.20123      44.47705 
1 1 1 1   19 23 o 364.102 22.853 28.538  3.5059 26.964  4.7169  30.481  5.2405 351.094 32.079 372.914 33.542 -21.82013      46.41239 
1 1 1 1   19 24 o 451.945 30.447 44.557  5.7934 44.557  5.7934  0.0000  0.0000 451.945 30.447 ?       ?      0.000000       30.44703 
1 1 1 1   19 25 o 281.185 23.372 17.172  2.7579 15.122  3.6837  19.787  4.1602 259.982 34.295 298.234 33.520 -38.25256      47.95565 
1 1 1 1   19 26 o 209.282 43.075 10.285  3.6904 0.0000  0.0000  10.285  3.6904 ?       ?      209.282 43.075 0.000000       43.07520 
1 1 1 1   19 27 o 129.241 33.443 3.8574  1.8444 3.2954  2.3119  4.8414  3.0591 121.239 39.360 143.848 45.120 -22.60888      59.87467 
1 1 1 1   19 28 o 422.670 35.875 40.781  6.3609 0.0000  0.0000  40.781  6.3609 ?       ?      422.670 35.875 0.000000       35.87543 
1 1 1 1   19 29 o 184.509 28.281 7.6931  2.1393 6.7928  2.9782  8.6529  3.0751 167.558 42.040 190.840 39.356 -23.28281      57.58727 
1 1 1 1   20 0  o 666.547 15.327 94.517  4.3264 0.0000  0.0000  94.517  4.3264 ?       ?      666.547 15.327 0.000000       15.32673 
1 1 1 1   20 1  o 550.293 15.160 64.417  3.5331 0.0000  0.0000  64.417  3.5331 ?       ?      550.293 15.160 0.000000       15.16048 
1 1 1 1   20 2  o 145.633 19.598 4.6052  1.1780 0.0000  0.0000  4.6052  1.1780 ?       ?      145.633 19.598 0.000000       19.59786 
1 1 1 1   20 3  o 727.141 13.714 112.386 4.2229 122.928 7.5036  107.500 5.1087 757.720 23.384 710.434 16.980 47.28644       28.89869 
1 1 1 1   20 4  o 442.392 11.423 41.550  2.1401 40.395  3.0167  42.720  3.0364 435.599 16.353 448.012 16.004 -12.41278      22.88130 
1 1 1 1   20 5  o 263.835 14.195 14.839  1.5801 14.074  2.6006  15.287  1.9895 255.235 24.355 267.311 17.675 -12.07639      30.09233 
1 1 1 1   20 6  o 168.533 17.925 6.1165  1.2597 7.6602  2.1627  5.3239  1.5497 186.857 28.208 155.948 24.253 30.90852       37.20101 
1 1 1 1   20 7  o 427.587 14.530 38.845  2.6311 34.345  4.4718  41.227  3.2539 399.632 26.574 440.175 17.456 -40.54245      31.79470 
1 1 1 1   20 8  f 549.796 14.828 64.200  3.4524 62.037  5.8112  65.380  4.2920 538.862 25.465 554.389 18.281 -15.52631      31.34741 
1 1 1 1   20 9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   20 10 o 275.785 19.532 16.245  2.2664 15.509  3.1678  17.016  3.2440 268.135 28.326 281.121 27.605 -12.98624      39.55251 
1 1 1 1   20 11 o 1132.60 22.025 272.731 10.564 259.711 14.730  286.521 15.159 1102.88 31.538 1158.60 30.895 -55.72168      44.14901 
1 1 1 1   20 12 o 223.542 21.731 10.719  2.0312 12.319  2.8073  8.9611  2.9427 238.821 28.308 201.804 35.741 37.01633       45.59365 
1 1 1 1   20 13 o 494.381 19.721 51.910  4.1288 51.667  5.6439  52.190  6.0559 491.815 27.203 494.000 29.076 -2.184845      39.81736 
1 1 1 1   20 14 o 1013.46 21.977 218.354 9.4322 209.091 12.966  228.766 13.747 989.808 30.931 1035.22 31.357 -45.40887      44.04531 
1 1 1 1   20 15 o 422.882 28.096 38.301  5.0029 38.301  5.0029  0.0000  0.0000 422.882 28.096 ?       ?      0.000000       28.09556 
1 1 1 1   20 16 o 373.060 31.111 29.958  4.8703 0.0000  0.0000  29.958  4.8703 ?       ?      373.060 31.111 0.000000       31.11094 
1 1 1 1   20 17 o 327.582 31.535 23.176  4.3207 0.0000  0.0000  23.176  4.3207 ?       ?      327.582 31.535 0.000000       31.53460 
1 1 1 1   20 18 o 548.995 21.089 64.150  4.9030 65.398  6.6507  62.664  7.2568 552.416 28.526 539.905 31.880 12.51074       42.77913 
1 1 1 1   20 19 o 564.570 21.333 67.874  5.1005 68.664  6.9383  66.945  7.5235 565.764 29.056 557.859 31.979 7.905579       43.20797 
1 1 1 1   20 20 o 533.089 21.618 60.589  4.8805 57.389  6.5953  64.462  7.2560 516.270 30.298 546.912 31.461 -30.64160      43.67801 
1 1 1 1   20 21 o 847.801 22.617 153.634 8.1202 151.483 11.078  156.130 11.937 838.309 31.205 850.102 33.157 -11.79285      45.53204 
1 1 1 1   20 22 o 199.618 26.277 8.7080  2.1674 5.5706  2.8183  13.250  3.3908 156.421 41.761 244.977 33.567 -88.55571      53.57929 
1 1 1 1   20 23 o 201.240 26.728 8.8770  2.2215 6.7159  2.9549  11.686  3.3691 171.107 41.258 228.648 35.983 -57.54062      54.74541 
1 1 1 1   20 24 o 320.804 31.320 22.625  4.2007 22.625  4.2007  0.0000  0.0000 320.804 31.320 ?       ?      0.000000       31.31962 
1 1 1 1   20 25 o 642.486 33.972 91.441  9.2106 0.0000  0.0000  91.441  9.2106 ?       ?      642.486 33.972 0.000000       33.97233 
1 1 1 1   20 26 o 644.264 22.718 89.843  6.1985 84.360  8.4018  96.392  9.1820 616.780 32.278 659.536 32.874 -42.75574      46.07183 
1 1 1 1   20 27 o 177.752 42.225 7.5397  3.1314 7.5397  3.1314  0.0000  0.0000 177.752 42.225 ?       ?      0.000000       42.22494 
1 1 1 1   20 28 o 330.572 24.917 24.094  3.4626 24.001  4.6659  24.209  5.1660 324.181 34.517 322.776 38.556 1.405548       51.74895 
1 1 1 1   21 0  o 465.375 10.366 45.961  2.0430 45.217  2.9098  46.686  2.8692 461.039 14.903 468.532 14.460 -7.492981      20.76544 
1 1 1 1   21 1  o 332.143 12.501 23.436  1.7584 19.183  3.0402  25.574  2.1556 298.204 24.285 346.748 14.679 -48.54407      28.37692 
1 1 1 1   21 2  o 808.077 11.713 138.657 4.0082 136.826 5.6619  140.496 5.6751 801.569 16.679 812.296 16.498 -10.72766      23.45985 
1 1 1 1   21 3  o 579.234 11.231 71.222  2.7549 67.495  3.8850  74.992  3.9072 563.093 16.292 593.686 15.540 -30.59363      22.51504 
1 1 1 1   21 4  o 339.002 11.794 24.399  1.6932 25.312  2.3862  23.473  2.4031 344.864 16.338 331.575 17.173 13.28937       23.70330 
1 1 1 1   21 5  o 350.329 12.031 26.056  1.7849 25.020  2.5182  27.102  2.5303 342.368 17.426 356.852 16.743 -14.48380      24.16605 
1 1 1 1   21 6  o 608.897 14.098 78.760  3.6353 75.234  6.1458  80.657  4.5086 593.189 24.465 615.687 17.292 -22.49823      29.95883 
1 1 1 1   21 7  o 253.150 15.995 13.673  1.7059 16.453  2.9419  12.265  2.0940 276.332 25.424 239.030 20.896 37.30206       32.90938 
1 1 1 1   21 8  o 533.386 14.935 60.406  3.3737 60.803  5.6965  60.191  4.1869 533.805 25.199 532.042 18.583 1.763184       31.30966 
1 1 1 1   21 9  o 839.814 27.719 150.529 9.8584 0.0000  0.0000  150.529 9.8584 ?       ?      839.814 27.719 0.000000       27.71923 
1 1 1 1   21 10 o 1114.67 21.554 264.184 10.175 258.312 14.195  270.390 14.592 1099.94 30.473 1125.32 30.619 -25.37708      43.19833 
1 1 1 1   21 11 o 1009.08 21.130 216.384 9.0295 214.032 12.559  218.901 12.991 1001.86 29.600 1013.03 30.282 -11.16522      42.34624 
1 1 1 1   21 12 o 951.545 21.049 192.383 8.4822 197.603 11.801  186.804 12.200 962.898 28.940 935.820 30.784 27.07788       42.25139 
1 1 1 1   21 13 o 429.226 19.620 39.132  3.5665 41.485  4.9413  36.574  5.1528 440.579 26.608 413.095 29.652 27.48340       39.83994 
1 1 1 1   21 14 o 387.785 27.777 32.217  4.5314 32.217  4.5314  0.0000  0.0000 387.785 27.777 ?       ?      0.000000       27.77697 
1 1 1 1   21 15 o 486.102 20.110 50.230  4.1399 47.950  5.6806  52.813  6.0458 473.178 28.481 496.599 28.872 -23.42099      40.55597 
1 1 1 1   21 16 o 461.610 30.211 45.748  5.8733 0.0000  0.0000  45.748  5.8733 ?       ?      461.610 30.211 0.000000       30.21088 
1 1 1 1   21 17 o 420.195 20.886 37.574  3.7167 36.412  5.0686  38.926  5.4662 411.648 29.266 425.419 30.544 -13.77115      42.30137 
1 1 1 1   21 18 o 955.619 22.478 194.543 9.0966 191.927 12.422  197.568 13.358 946.601 30.987 959.724 32.866 -13.12317      45.17064 
1 1 1 1   21 19 o 823.699 21.968 144.582 7.6632 132.224 10.427  159.097 11.300 785.128 31.360 861.359 30.978 -76.23053      44.08083 
1 1 1 1   21 20 o 491.338 21.441 51.498  4.4614 52.021  6.0646  50.881  6.5865 491.427 29.274 485.120 32.243 6.307465       43.54961 
1 1 1 1   21 21 o 411.832 22.037 36.365  3.8295 36.156  5.2003  36.612  5.6604 408.407 30.283 410.153 32.864 -1.746460      44.68879 
1 1 1 1   21 22 o 488.970 21.590 51.192  4.4708 51.742  6.0185  50.514  6.6780 488.535 29.225 481.161 32.971 7.373749       44.05889 
1 1 1 1   21 23 o 341.533 30.718 25.520  4.3954 25.520  4.3954  0.0000  0.0000 341.533 30.718 ?       ?      0.000000       30.71828 
1 1 1 1   21 24 o 318.525 31.494 22.364  4.1927 22.364  4.1927  0.0000  0.0000 318.525 31.494 ?       ?      0.000000       31.49441 
1 1 1 1   21 25 o 193.801 42.035 8.7993  3.3507 0.0000  0.0000  8.7993  3.3507 ?       ?      193.801 42.035 0.000000       42.03520 
1 1 1 1   21 26 o 425.896 22.872 39.413  4.1101 43.378  5.5675  34.663  6.0932 442.972 29.852 391.195 37.229 51.77756       47.71968 
1 1 1 1   21 27 o 382.224 32.643 32.893  5.2332 32.893  5.2332  0.0000  0.0000 382.224 32.643 ?       ?      0.000000       32.64283 
1 1 1 1   21 28 o 366.144 33.103 30.446  5.0773 30.446  5.0773  0.0000  0.0000 366.144 33.103 ?       ?      0.000000       33.10273 
1 1 1 1   22 0  o 522.764 10.566 57.996  2.3393 59.894  3.3174  56.119  3.2992 530.683 14.761 513.626 15.167 17.05670       21.16454 
1 1 1 1   22 1  o 240.720 11.677 12.303  1.1904 14.074  1.6709  10.478  1.6962 256.744 15.440 220.979 18.290 35.76469       23.93513 
1 1 1 1   22 2  o 536.234 10.876 61.027  2.4699 58.264  3.4706  63.862  3.5156 523.309 15.660 547.955 15.150 -24.64520      21.78930 
1 1 1 1   22 3  o 290.245 11.552 17.883  1.4199 17.430  1.9959  18.347  2.0205 285.691 16.568 293.170 16.339 -7.479218      23.26885 
1 1 1 1   22 4  o 499.318 11.527 52.916  2.4375 51.796  3.4289  54.060  3.4659 493.413 16.409 504.108 16.235 -10.69553      23.08323 
1 1 1 1   22 5  o 318.605 12.496 21.548  1.6861 24.184  2.3747  18.870  2.3944 337.197 16.629 297.035 19.136 40.16122       25.35230 
1 1 1 1   22 6  o 268.807 14.924 15.396  1.6922 18.501  2.7928  13.596  2.1271 293.651 22.632 251.865 20.110 41.78638       30.27584 
1 1 1 1   22 7  f 368.448 14.504 28.821  2.2631 27.930  3.8130  29.306  2.8119 360.910 25.103 371.279 17.883 -10.36844      30.82201 
1 1 1 1   22 8  o 331.992 15.428 23.398  2.1692 23.060  3.6142  23.589  2.7119 327.757 26.259 332.540 19.340 -4.783539      32.61279 
1 1 1 1   22 9  o 573.981 26.915 70.235  6.5425 0.0000  0.0000  70.235  6.5425 ?       ?      573.981 26.915 0.000000       26.91534 
1 1 1 1   22 10 o 542.281 18.488 62.446  4.2457 59.740  5.9073  65.338  6.1065 529.623 26.338 553.917 26.032 -24.29346      37.03130 
1 1 1 1   22 11 o 246.845 20.609 13.035  2.1347 13.540  2.9385  12.471  3.1062 250.529 28.186 239.765 31.341 10.76437       42.15155 
1 1 1 1   22 12 o 854.495 20.426 155.128 7.3915 147.067 10.233  163.923 10.688 830.565 29.093 876.934 28.779 -46.36920      40.92294 
1 1 1 1   22 13 o 561.408 27.062 67.156  6.4340 67.156  6.4340  0.0000  0.0000 561.408 27.062 ?       ?      0.000000       27.06171 
1 1 1 1   22 14 o 432.292 27.968 40.021  5.0928 40.021  5.0928  0.0000  0.0000 432.292 27.968 ?       ?      0.000000       27.96828 
1 1 1 1   22 15 o 499.003 29.184 53.366  6.1404 0.0000  0.0000  53.366  6.1404 ?       ?      499.003 29.184 0.000000       29.18404 
1 1 1 1   22 16 o 335.282 20.886 24.011  2.9509 22.154  4.0982  26.010  4.2525 320.370 30.578 347.635 29.155 -27.26468      42.24908 
1 1 1 1   22 17 o 553.385 20.756 65.178  4.8643 65.832  6.6255  64.413  7.1644 554.229 28.323 547.555 31.024 6.674805       42.00793 
1 1 1 1   22 18 o 260.052 22.880 14.523  2.4941 11.821  3.3680  17.804  3.7114 231.930 35.413 286.616 31.075 -54.68703      47.11408 
1 1 1 1   22 19 o 424.215 21.088 38.349  3.7885 37.571  5.0868  39.317  5.6772 417.766 28.930 426.727 31.641 -8.960541      42.87304 
1 1 1 1   22 20 o 485.389 21.293 50.291  4.3769 49.290  5.8946  51.522  6.5345 477.979 29.261 487.911 31.799 -9.932800      43.21333 
1 1 1 1   22 21 o 583.265 21.509 72.761  5.3130 71.411  7.1922  74.383  7.8824 574.533 29.661 585.423 31.915 -10.89044      43.56978 
1 1 1 1   22 22 o 347.742 21.903 26.017  3.2091 24.626  4.2951  27.773  4.8283 335.781 30.539 356.095 32.371 -20.31458      44.50245 
1 1 1 1   22 23 o 357.053 30.670 27.913  4.5925 27.913  4.5925  0.0000  0.0000 357.053 30.670 ?       ?      0.000000       30.66951 
1 1 1 1   22 24 o 214.139 38.678 10.488  3.3785 0.0000  0.0000  10.488  3.3785 ?       ?      214.139 38.678 0.000000       38.67815 
1 1 1 1   22 25 o 333.199 23.532 24.177  3.2991 19.432  4.3240  30.787  5.1037 293.321 35.535 371.604 32.766 -78.28354      48.33596 
1 1 1 1   22 26 o 394.617 23.269 33.925  3.8714 29.420  5.2483  39.301  5.7339 361.215 34.738 419.387 32.539 -58.17230      47.59721 
1 1 1 1   22 27 o 218.328 38.870 11.203  3.4622 11.203  3.4622  0.0000  0.0000 218.328 38.870 ?       ?      0.000000       38.87008 
1 1 1 1   22 28 o 213.917 37.419 10.748  3.2664 10.748  3.2664  0.0000  0.0000 213.917 37.419 ?       ?      0.000000       37.41902 
1 1 1 1   23 0  o 233.704 11.409 11.593  1.1292 11.987  1.6683  11.260  1.5340 236.727 16.749 229.519 15.879 7.207825       23.08006 
1 1 1 1   23 1  o 297.943 11.271 18.841  1.4221 17.887  1.9887  19.838  2.0343 289.486 16.288 304.983 15.805 -15.49704      22.69574 
1 1 1 1   23 2  o 272.431 11.528 15.753  1.3300 14.512  1.8485  17.084  1.9151 260.598 16.840 282.954 16.048 -22.35605      23.26215 
1 1 1 1   23 3  o 501.305 11.075 53.323  2.3512 53.438  3.3172  53.207  3.3330 501.332 15.625 500.234 15.733 1.098022       22.17353 
1 1 1 1   23 4  o 566.493 11.569 68.095  2.7754 68.276  3.9060  67.911  3.9442 566.661 16.277 565.113 16.481 1.548584       23.16353 
1 1 1 1   23 5  o 175.870 15.138 6.6188  1.1165 5.5213  1.5901  7.6861  1.5680 159.018 24.390 188.965 19.893 -29.94690      31.47345 
1 1 1 1   23 6  o 798.871 14.699 135.502 4.9729 139.013 8.3590  133.579 6.1868 807.220 24.452 792.566 18.433 14.65411       30.62141 
1 1 1 1   23 7  o 477.163 14.020 48.316  2.8331 44.998  4.7167  50.189  3.5436 458.849 24.360 486.055 17.215 -27.20605      29.82946 
1 1 1 1   23 8  o 587.623 14.806 73.271  3.6845 73.853  6.1913  72.952  4.5848 588.817 24.829 585.995 18.475 2.821716       30.94827 
1 1 1 1   23 9  o 509.823 26.723 55.529  5.7496 0.0000  0.0000  55.529  5.7496 ?       ?      509.823 26.723 0.000000       26.72309 
1 1 1 1   23 10 o 696.024 18.908 102.880 5.5734 102.546 7.7392  103.240 8.0331 693.943 26.335 696.146 27.248 -2.203125      37.89427 
1 1 1 1   23 11 o 663.362 15.826 93.368  4.4459 93.156  7.4476  93.485  5.5416 661.389 26.590 663.406 19.725 -2.017334      33.10704 
1 1 1 1   23 12 o 783.767 27.656 130.914 9.1797 130.914 9.1797  0.0000  0.0000 783.767 27.656 ?       ?      0.000000       27.65650 
1 1 1 1   23 13 f 205.956 31.938 9.2727  2.6954 9.2727  2.6954  0.0000  0.0000 205.956 31.938 ?       ?      0.000000       31.93768 
1 1 1 1   23 14 o 634.590 28.901 85.984  7.7668 0.0000  0.0000  85.984  7.7668 ?       ?      634.590 28.901 0.000000       28.90060 
1 1 1 1   23 15 o 338.894 29.724 24.738  4.2228 0.0000  0.0000  24.738  4.2228 ?       ?      338.894 29.724 0.000000       29.72383 
1 1 1 1   23 16 o 80.405  29.988 1.0507  1.3698 2.0092  1.9968  0.1988  1.8825 103.343 36.542 79.080  33.214 24.26310       49.38097 
1 1 1 1   23 17 o 465.533 20.566 46.130  4.0546 45.976  5.5501  46.306  5.9377 462.812 28.455 464.039 30.383 -1.227020      41.62682 
1 1 1 1   23 18 f 358.012 21.287 27.399  3.2129 28.824  4.4068  25.781  4.6944 365.869 28.671 345.047 32.509 20.82156       43.34605 
1 1 1 1   23 19 o 156.168 29.377 5.4000  1.8716 3.6167  2.7021  7.0443  2.5947 130.725 42.558 177.576 35.741 -46.85130      55.57477 
1 1 1 1   23 20 o 364.553 21.629 28.496  3.3242 29.450  4.4874  27.336  4.9489 368.832 28.962 353.976 33.408 14.85599       44.21421 
1 1 1 1   23 21 o 490.342 21.061 51.444  4.3735 45.614  5.8597  58.775  6.5713 458.237 30.368 520.572 29.934 -62.33426      42.64070 
1 1 1 1   23 22 o 142.033 37.749 4.5921  2.3094 4.5921  2.3094  0.0000  0.0000 142.033 37.749 ?       ?      0.000000       37.74857 
1 1 1 1   23 23 o 295.037 30.658 19.154  3.7746 19.154  3.7746  0.0000  0.0000 295.037 30.658 ?       ?      0.000000       30.65755 
1 1 1 1   23 24 o 157.752 47.302 5.8462  3.4105 0.0000  0.0000  5.8462  3.4105 ?       ?      157.752 47.302 0.000000       47.30204 
1 1 1 1   23 25 o 175.555 29.769 6.9480  2.1341 7.3802  2.6211  6.0981  3.6760 178.868 35.851 159.844 49.350 19.02440       60.99781 
1 1 1 1   23 26 o 562.078 22.720 68.643  5.4081 65.969  7.2597  71.978  8.1067 543.767 31.663 565.902 33.984 -22.13446      46.44817 
1 1 1 1   23 27 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 1   23 28 o 277.818 24.746 17.086  2.8810 14.057  3.8615  20.889  4.3268 244.371 38.595 301.544 34.503 -57.17294      51.76905 
1 1 1 1   24 0  o 461.391 10.494 45.159  2.0505 42.449  2.8951  47.887  2.9047 446.873 15.298 474.736 14.448 -27.86273      21.04208 
1 1 1 1   24 1  o 557.882 11.047 66.033  2.6099 63.328  3.6598  68.832  3.7228 545.766 15.835 569.040 15.448 -23.27472      22.12210 
1 1 1 1   24 2  o 529.166 10.968 59.405  2.4578 57.423  3.4532  61.440  3.4991 519.750 15.688 537.661 15.368 -17.91089      21.96117 
1 1 1 1   24 3  o 944.819 12.637 189.467 5.0564 190.762 7.1532  188.173 7.1485 946.939 17.837 940.464 17.949 6.475159       25.30468 
1 1 1 1   24 4  o 429.445 11.433 39.120  2.0793 40.113  2.9571  38.149  2.9244 434.485 16.071 423.696 16.298 10.78894       22.88920 
1 1 1 1   24 5  o 373.872 12.264 29.653  1.9417 30.188  2.7353  29.109  2.7568 376.899 17.137 370.066 17.590 6.833008       24.55827 
1 1 1 1   24 6  o 238.975 15.237 12.172  1.5340 11.367  2.4761  12.674  1.9542 229.412 25.942 243.422 19.110 -14.01013      32.22106 
1 1 1 1   24 7  o 551.808 14.177 64.603  3.3130 65.878  5.5069  63.880  4.1475 556.279 23.376 548.392 17.859 7.887146       29.41733 
1 1 1 1   24 8  o 349.993 18.316 26.087  2.7053 25.266  3.7505  26.976  3.9061 343.431 25.979 354.892 26.174 -11.46100      36.87849 
1 1 1 1   24 9  o 769.590 27.401 126.201 8.9304 0.0000  0.0000  126.201 8.9304 ?       ?      769.590 27.401 0.000000       27.40117 
1 1 1 1   24 10 o 286.707 16.610 17.503  2.0082 18.866  3.3033  16.705  2.5292 296.459 26.594 279.523 21.532 16.93594       34.21769 
1 1 1 1   24 11 f 1295.97 22.922 357.209 12.580 371.787 17.614  342.028 17.974 1319.56 31.520 1264.94 33.553 54.61206       46.03637 
1 1 1 1   24 12 o 535.330 19.569 60.890  4.4364 61.255  5.9751  60.443  6.6228 536.187 26.314 531.392 29.546 4.794434       39.56488 
1 1 1 1   24 13 o 578.066 28.254 71.309  6.9167 0.0000  0.0000  71.309  6.9167 ?       ?      578.066 28.254 0.000000       28.25376 
1 1 1 1   24 14 o 254.800 33.429 14.142  3.5202 0.0000  0.0000  14.142  3.5202 ?       ?      254.800 33.429 0.000000       33.42922 
1 1 1 1   24 15 o 618.519 20.123 81.389  5.2710 81.124  7.2433  81.687  7.6848 616.207 27.757 618.015 29.362 -1.807739      40.40527 
1 1 1 1   24 16 f 317.556 21.772 21.577  2.9103 25.206  4.1018  17.898  4.1298 342.145 28.570 286.603 34.735 55.54138       44.97543 
1 1 1 1   24 17 o 339.176 21.060 24.591  3.0100 25.569  4.1476  23.504  4.3751 344.513 28.689 329.571 31.739 14.94226       42.78375 
1 1 1 1   24 18 o 380.761 21.359 30.996  3.4302 30.251  4.7231  31.828  4.9899 374.384 30.043 383.859 30.959 -9.475739      43.13955 
1 1 1 1   24 19 o 80.860  30.732 1.0018  1.4535 1.9123  2.0082  0.0000  2.1065 101.739 36.573 81.130  34.647 20.60930       50.37880 
1 1 1 1   24 20 o 483.671 21.327 50.022  4.3684 50.716  5.9173  49.191  6.4763 484.202 28.990 475.615 32.346 8.587067       43.43588 
1 1 1 1   24 21 o 81.585  31.174 1.0173  1.5006 1.8653  2.1839  0.2587  2.0655 102.641 37.947 82.504  34.729 20.13714       51.44032 
1 1 1 1   24 22 f 154.014 38.116 5.4296  2.4726 5.4296  2.4726  0.0000  0.0000 154.014 38.116 ?       ?      0.000000       38.11623 
1 1 1 1   24 23 o 102.325 39.259 1.6899  2.3862 0.0000  0.0000  1.6899  2.3862 ?       ?      102.325 39.259 0.000000       39.25937 
1 1 1 1   24 24 o 151.105 49.646 5.2829  3.6741 0.0000  0.0000  5.2829  3.6741 ?       ?      151.105 49.646 0.000000       49.64597 
1 1 1 1   24 25 o 242.103 26.494 12.953  2.6721 15.689  3.5737  9.4848  4.0239 264.016 32.660 197.523 48.468 66.49246       58.44468 
1 1 1 1   24 26 o 347.238 24.431 26.482  3.5697 24.150  4.6124  29.964  5.6370 326.195 33.884 361.115 37.402 -34.92056      50.46831 
1 1 1 1   24 27 o 108.699 40.618 2.3269  2.5152 0.0000  0.0000  2.3269  2.5152 ?       ?      108.699 40.618 0.000000       40.61764 
1 1 1 1   25 0  o 289.629 11.105 17.794  1.3621 17.081  1.9690  18.447  1.8862 282.994 16.501 294.287 15.186 -11.29242      22.42542 
1 1 1 1   25 1  o 537.433 10.896 61.261  2.4798 58.827  3.4971  63.723  3.5170 526.177 15.694 547.701 15.163 -21.52429      21.82236 
1 1 1 1   25 2  o 175.986 14.582 6.6216  1.0770 7.8331  1.5177  5.3928  1.5285 190.938 19.023 157.284 23.682 33.65424       30.37625 
1 1 1 1   25 3  o 793.716 11.961 133.639 4.0205 137.026 5.6848  130.250 5.6869 803.014 16.716 782.835 17.154 20.17877       23.95204 
1 1 1 1   25 4  o 357.734 11.544 27.140  1.7489 31.598  2.4989  22.862  2.4483 385.763 15.296 327.505 17.719 58.25793       23.40789 
1 1 1 1   25 5  o 790.878 12.466 132.667 4.1752 130.618 5.8889  134.738 5.9206 784.073 17.735 796.370 17.555 -12.29681      24.95434 
1 1 1 1   25 6  o 970.190 13.597 199.674 5.5865 189.842 7.8501  209.762 7.9520 945.071 19.614 993.554 18.899 -48.48218      27.23764 
1 1 1 1   25 7  o 763.918 18.079 123.937 5.8487 123.786 7.9459  124.115 8.6405 762.488 24.607 763.121 26.736 -0.6326904     36.33659 
1 1 1 1   25 8  o 449.874 17.666 42.969  3.3657 44.968  4.5689  40.597  4.9769 459.146 23.577 435.667 27.109 23.47879       35.92735 
1 1 1 1   25 9  o 922.446 19.502 180.747 7.6182 189.659 10.623  171.310 10.931 943.634 26.583 896.370 28.797 47.26398       39.19026 
1 1 1 1   25 10 o 479.596 25.819 49.121  5.2247 49.121  5.2247  0.0000  0.0000 479.596 25.819 ?       ?      0.000000       25.81909 
1 1 1 1   25 11 o 834.314 16.319 147.745 5.7658 138.997 9.6719  152.568 7.1814 807.300 28.290 847.312 20.014 -40.01166      34.65346 
1 1 1 1   25 12 o 835.838 20.705 148.543 7.3291 0.0000  0.0000  148.543 7.3291 ?       ?      835.838 20.705 0.000000       20.70537 
1 1 1 1   25 13 o 372.816 28.537 29.853  4.4714 0.0000  0.0000  29.853  4.4714 ?       ?      372.816 28.537 0.000000       28.53722 
1 1 1 1   25 14 o 194.361 24.113 8.1734  1.9421 11.251  2.6808  4.7739  2.8173 227.743 28.414 147.066 42.709 80.67749       51.29679 
1 1 1 1   25 15 o 1110.05 22.483 262.540 10.569 274.727 14.701  249.501 15.206 1132.52 30.652 1078.16 33.303 54.35901       45.26201 
1 1 1 1   25 16 o 753.069 20.686 120.742 6.5972 120.654 9.1027  120.839 9.5750 750.925 28.624 751.087 30.103 -0.1619263     41.53921 
1 1 1 1   25 17 o 494.804 20.419 52.138  4.2787 58.767  5.9326  44.953  6.1768 523.566 26.847 456.446 32.160 67.11990       41.89285 
1 1 1 1   25 18 o 603.641 20.697 77.686  5.2908 78.385  7.1972  76.865  7.8042 604.610 28.109 597.160 30.966 7.449951       41.82120 
1 1 1 1   25 19 o 618.502 21.126 81.714  5.5335 86.310  7.5888  76.496  8.0859 633.473 28.288 594.175 32.255 39.29779       42.90242 
1 1 1 1   25 20 f 539.924 20.965 62.369  4.7937 65.438  6.5422  58.811  7.0444 550.092 28.178 519.772 32.161 30.31964       42.75844 
1 1 1 1   25 21 o 101.997 38.981 1.6600  2.3467 1.6600  2.3467  0.0000  0.0000 101.997 38.981 ?       ?      0.000000       38.98105 
1 1 1 1   25 22 o 354.298 21.918 27.070  3.2724 23.498  4.4642  31.219  4.8110 326.323 32.745 377.554 30.345 -51.23184      44.64425 
1 1 1 1   25 23 f 106.453 41.798 1.6939  2.7530 0.0000  0.0000  1.6939  2.7530 ?       ?      106.453 41.798 0.000000       41.79836 
1 1 1 1   25 24 o 187.623 26.879 7.8358  2.0747 6.5612  2.5512  10.325  3.5651 168.035 36.865 209.766 41.602 -41.73006      55.58521 
1 1 1 1   25 25 o 330.263 24.115 23.874  3.3495 23.385  4.3654  24.574  5.2229 322.708 32.379 327.200 38.424 -4.492249      50.24768 
1 1 1 1   25 26 o 237.501 26.141 12.555  2.5857 13.907  3.3479  10.557  4.0704 246.796 32.849 206.581 47.517 40.21533       57.76618 
1 1 1 1   25 27 o 117.187 44.918 2.6722  3.1217 0.0000  0.0000  2.6722  3.1217 ?       ?      117.187 44.918 0.000000       44.91814 
1 1 1 1   26 0  o 276.436 11.480 16.207  1.3439 16.530  1.9570  15.919  1.8487 278.430 16.674 273.290 16.044 5.140106       23.13912 
1 1 1 1   26 1  o 218.179 12.623 10.133  1.1614 9.7324  1.7414  10.453  1.5587 213.016 19.521 221.182 16.765 -8.166290      25.73145 
1 1 1 1   26 2  o 229.389 13.176 11.201  1.2746 10.502  1.7856  11.928  1.8200 221.399 19.235 236.173 18.340 -14.77428      26.57728 
1 1 1 1   26 3  o 630.811 11.518 84.382  3.0769 82.251  4.2991  86.620  4.4056 622.334 16.312 638.652 16.289 -16.31732      23.05253 
1 1 1 1   26 4  o 353.264 11.680 26.462  1.7473 28.321  2.4944  24.672  2.4484 365.223 16.127 340.836 16.963 24.38678       23.40569 
1 1 1 1   26 5  o 243.995 15.753 12.689  1.6190 13.015  2.0184  12.100  2.7113 246.704 19.478 236.611 27.576 10.09303       33.76106 
1 1 1 1   26 6  o 393.382 14.659 32.832  2.4422 36.707  3.0117  25.390  4.1734 415.805 17.103 343.773 28.935 72.03189       33.61193 
1 1 1 1   26 7  o 732.052 17.430 113.775 5.4036 103.653 7.4261  125.166 7.8776 697.732 25.132 766.874 24.257 -69.14191      34.92863 
1 1 1 1   26 8  o 1150.94 20.353 281.482 9.9201 288.012 13.911  274.725 14.150 1162.32 28.262 1134.87 29.442 27.45410       40.81116 
1 1 1 1   26 9  o 546.971 18.161 63.531  4.2066 66.869  5.7414  59.662  6.1811 560.536 24.186 528.338 27.722 32.19818       36.79004 
1 1 1 1   26 10 o 364.698 15.898 28.228  2.4554 27.159  4.0557  28.846  3.0850 355.942 27.109 367.903 19.874 -11.96127      33.61395 
1 1 1 1   26 11 o 378.183 20.395 30.493  3.2543 0.0000  0.0000  30.493  3.2543 ?       ?      378.183 20.395 0.000000       20.39477 
1 1 1 1   26 12 o 537.902 20.732 61.542  4.7226 0.0000  0.0000  61.542  4.7226 ?       ?      537.902 20.732 0.000000       20.73157 
1 1 1 1   26 13 f 369.021 17.000 28.930  2.6566 31.297  4.2932  27.461  3.3819 381.991 26.707 358.411 22.393 23.57928       34.85294 
1 1 1 1   26 14 o 185.668 24.966 7.4841  1.9133 9.6107  2.6137  5.0289  2.8084 209.781 30.299 150.377 42.316 59.40433       52.04457 
1 1 1 1   26 15 o 496.076 20.004 52.377  4.2026 57.263  5.8281  47.085  6.0657 516.991 26.711 467.730 30.795 49.26089       40.76530 
1 1 1 1   26 16 o 570.133 20.412 69.213  4.9284 62.153  6.7272  77.393  7.2409 537.827 29.650 601.308 28.435 -63.48126      41.08114 
1 1 1 1   26 17 o 934.076 21.775 186.054 8.6136 187.713 11.870  184.208 12.519 935.302 29.969 925.701 31.933 9.601685       43.79307 
1 1 1 1   26 18 o 352.419 21.036 26.600  3.1252 24.636  4.2789  28.846  4.5754 337.032 30.303 365.011 29.861 -27.97876      42.54338 
1 1 1 1   26 19 o 369.352 21.706 29.282  3.3803 30.318  4.6062  28.074  4.9762 373.795 29.334 358.405 33.161 15.38919       44.27354 
1 1 1 1   26 20 o 160.317 28.887 5.7185  1.8891 3.8512  2.6070  7.7828  2.7411 132.237 41.680 185.698 36.156 -53.46039      55.17699 
1 1 1 1   26 21 o 139.287 41.411 4.3915  2.6222 4.3915  2.6222  0.0000  0.0000 139.287 41.411 ?       ?      0.000000       41.41084 
1 1 1 1   26 22 o 230.853 36.805 12.045  3.4774 0.0000  0.0000  12.045  3.4774 ?       ?      230.853 36.805 0.000000       36.80516 
1 1 1 1   26 23 o 116.040 33.945 3.0535  1.7740 2.4640  2.2681  3.9823  2.8470 110.041 38.941 133.150 43.700 -23.10870      58.53265 
1 1 1 1   26 24 o 264.383 24.431 15.336  2.7045 15.099  3.5557  15.661  4.1657 258.585 33.239 260.534 38.951 -1.948364      51.20563 
1 1 1 1   26 25 o 588.993 22.219 75.386  5.5422 68.671  7.4024  83.951  8.3605 554.126 31.676 612.125 32.367 -57.99817      45.28745 
1 1 1 1   26 26 o 224.611 27.354 11.325  2.5482 12.058  3.3217  10.277  3.9726 227.620 35.627 203.254 47.077 24.36626       59.03848 
1 1 1 1   26 27 o 238.989 45.446 14.034  4.4314 0.0000  0.0000  14.034  4.4314 ?       ?      238.989 45.446 0.000000       45.44576 
1 1 1 1   27 0  o 612.323 11.044 79.496  2.8639 79.159  4.0764  79.825  4.0245 610.607 15.764 613.195 15.498 -2.587646      22.10635 
1 1 1 1   27 1  o 667.453 11.416 94.462  3.2269 95.306  4.6066  93.649  4.5216 669.956 16.236 664.121 16.077 5.834106       22.84918 
1 1 1 1   27 2  o 548.483 11.276 63.784  2.6192 62.069  3.6888  65.527  3.7195 540.692 16.110 555.576 15.809 -14.88379      22.57079 
1 1 1 1   27 3  o 171.864 17.135 6.3345  1.2305 6.0599  1.4832  6.9409  2.2041 167.445 21.406 177.815 30.359 -10.36940      37.14706 
1 1 1 1   27 4  o 652.417 16.746 90.370  4.6267 90.370  4.6267  0.0000  0.0000 652.417 16.746 ?       ?      0.000000       16.74567 
1 1 1 1   27 5  o 299.918 14.765 19.084  1.8753 18.167  2.2865  20.971  3.2780 291.863 18.596 312.841 24.950 -20.97794      31.11725 
1 1 1 1   27 6  o 194.923 21.469 8.1748  1.7428 7.1573  2.2276  9.7806  2.7985 180.754 30.164 211.601 32.249 -30.84645      44.15672 
1 1 1 1   27 7  o 472.465 16.899 47.384  3.3812 45.085  4.5523  50.213  5.0500 459.743 23.459 485.068 24.665 -25.32458      34.03957 
1 1 1 1   27 8  o 774.559 18.099 127.405 5.9368 128.186 8.1785  126.534 8.6317 775.927 24.889 770.640 26.449 5.287537       36.31801 
1 1 1 1   27 9  o 486.880 18.453 50.352  3.8049 0.0000  0.0000  50.352  3.8049 ?       ?      486.880 18.453 0.000000       18.45346 
1 1 1 1   27 10 o 577.482 19.245 70.869  4.7066 0.0000  0.0000  70.869  4.7066 ?       ?      577.482 19.245 0.000000       19.24523 
1 1 1 1   27 11 o 1057.16 17.289 237.387 7.7402 248.303 13.066  231.486 9.6072 1078.27 28.614 1042.99 21.751 35.27563       35.94264 
1 1 1 1   27 12 o 232.192 19.573 11.546  1.9067 12.318  3.0159  11.032  2.4609 238.025 30.630 225.895 26.211 12.12999       40.31398 
1 1 1 1   27 13 o 511.083 16.594 55.495  3.5917 49.966  5.6404  59.266  4.6582 482.741 27.706 527.651 20.846 -44.91037      34.67258 
1 1 1 1   27 14 o 122.389 29.184 3.3340  1.4913 2.3938  2.1884  4.1493  2.0378 110.632 38.315 136.347 35.087 -25.71517      51.95274 
1 1 1 1   27 15 o 328.434 20.760 23.063  2.8726 25.260  3.9157  20.502  4.2270 342.648 27.209 307.241 33.004 35.40649       42.77386 
1 1 1 1   27 16 o 760.266 20.652 123.140 6.6493 124.259 9.1398  121.881 9.6915 761.670 28.335 753.711 30.363 7.959351       41.53050 
1 1 1 1   27 17 o 432.374 20.288 39.857  3.7149 39.952  5.1264  39.752  5.3909 430.622 28.268 429.115 29.851 1.507172       41.11121 
1 1 1 1   27 18 o 193.930 25.006 8.1923  2.0058 7.7916  2.8639  8.5782  2.8103 186.041 37.642 196.074 35.135 -10.03227      51.49149 
1 1 1 1   27 19 o 246.074 23.282 13.101  2.3973 12.214  3.3049  14.085  3.4827 234.615 34.274 252.524 33.385 -17.90948      47.84682 
1 1 1 1   27 20 o 120.303 40.426 3.0515  2.4329 3.0515  2.4329  0.0000  0.0000 120.303 40.426 ?       ?      0.000000       40.42619 
1 1 1 1   27 21 o 104.149 32.366 2.3703  1.5783 1.6959  2.1443  3.1676  2.3313 99.619  37.449 120.939 39.538 -21.32027      54.45794 
1 1 1 1   27 22 o 160.916 44.648 6.0772  3.1496 0.0000  0.0000  6.0772  3.1496 ?       ?      160.916 44.648 0.000000       44.64754 
1 1 1 1   27 23 o 432.657 21.802 40.588  3.9819 42.548  5.3410  38.135  5.9748 439.181 28.878 412.146 34.551 27.03448       45.02967 
1 1 1 1   27 24 o 276.896 24.110 16.819  2.7990 16.513  3.6324  17.266  4.3915 270.694 32.326 273.258 39.060 -2.563812      50.70177 
1 1 1 1   27 25 o 146.190 31.724 4.9522  1.9076 4.3300  2.4561  5.8983  3.0285 135.131 40.056 155.734 43.985 -20.60283      59.49056 
1 1 1 1   27 26 o 273.228 33.528 17.175  3.7982 17.175  3.7982  0.0000  0.0000 273.228 33.528 ?       ?      0.000000       33.52844 
1 1 1 1   28 0  o 326.557 16.548 22.699  2.2810 22.699  2.2810  0.0000  0.0000 326.557 16.548 ?       ?      0.000000       16.54806 
1 1 1 1   28 1  o 673.151 16.420 96.200  4.6808 96.200  4.6808  0.0000  0.0000 673.151 16.420 ?       ?      0.000000       16.41977 
1 1 1 1   28 2  o 545.058 16.123 63.062  3.7215 63.062  3.7215  0.0000  0.0000 545.058 16.123 ?       ?      0.000000       16.12267 
1 1 1 1   28 3  o 191.999 17.529 7.8926  1.4095 7.3921  1.6579  9.1976  2.6773 185.212 21.540 205.101 31.857 -19.88861      38.45573 
1 1 1 1   28 4  f 591.221 15.775 74.182  3.9498 77.337  5.5126  70.853  5.6621 603.070 21.585 577.049 23.170 26.02130       31.66602 
1 1 1 1   28 5  o 621.101 13.370 81.815  3.5168 75.973  5.8335  85.150  4.4078 597.574 23.051 633.375 16.433 -35.80084      28.30903 
1 1 1 1   28 6  o 418.558 14.825 37.169  2.6278 38.474  5.0123  36.674  3.0859 423.856 28.083 415.600 17.533 8.256226       33.10667 
1 1 1 1   28 7  f 707.822 18.327 106.412 5.4937 0.0000  0.0000  106.412 5.4937 ?       ?      707.822 18.327 0.000000       18.32736 
1 1 1 1   28 8  o 406.010 27.533 35.313  4.7061 0.0000  0.0000  35.313  4.7061 ?       ?      406.010 27.533 0.000000       27.53296 
1 1 1 1   28 9  o 737.970 15.120 115.578 4.7252 120.202 7.8524  112.953 5.9163 751.174 24.684 729.041 19.163 22.13287       31.24911 
1 1 1 1   28 10 o 273.271 17.653 15.930  2.0320 11.237  3.2505  18.941  2.6034 226.351 35.042 297.686 20.781 -71.33501      40.74063 
1 1 1 1   28 11 o 193.208 20.840 8.0346  1.6782 8.4485  2.6963  7.7728  2.1441 195.805 33.734 188.832 27.629 6.972382       43.60446 
1 1 1 1   28 12 o 631.381 16.056 84.678  4.2931 84.382  7.1193  84.847  5.3817 628.520 26.747 631.443 20.125 -2.923340      33.47280 
1 1 1 1   28 13 o 744.115 16.713 117.672 5.2668 116.713 8.6855  118.229 6.6235 738.727 27.763 745.096 20.991 -6.369446      34.80520 
1 1 1 1   28 14 o 286.104 19.138 17.495  2.3054 18.020  3.6370  17.143  2.9808 288.424 30.225 282.231 25.204 6.192780       39.35506 
1 1 1 1   28 15 o 297.452 21.491 18.953  2.6890 17.648  3.5957  20.610  4.0504 285.323 30.218 308.293 31.464 -22.96991      43.62441 
1 1 1 1   28 16 o 524.963 19.881 58.718  4.4198 55.783  6.0535  62.069  6.4683 509.341 28.174 537.246 28.532 -27.90512      40.09781 
1 1 1 1   28 17 o 682.349 20.593 99.379  5.9508 109.899 8.2478  87.956  8.5942 715.434 27.222 638.436 31.787 76.99774       41.85015 
1 1 1 1   28 18 o 228.816 24.090 11.352  2.2993 13.005  3.1608  9.4934  3.3509 243.230 31.420 204.808 40.070 38.42236       50.91958 
1 1 1 1   28 19 o 302.689 31.097 20.090  3.9296 20.090  3.9296  0.0000  0.0000 302.689 31.097 ?       ?      0.000000       31.09721 
1 1 1 1   28 20 o 462.225 20.795 45.827  4.0706 39.957  5.5433  52.695  5.9967 427.333 30.838 491.942 28.911 -64.60895      42.27098 
1 1 1 1   28 21 o 181.628 43.748 7.7106  3.3249 0.0000  0.0000  7.7106  3.3249 ?       ?      181.628 43.748 0.000000       43.74755 
1 1 1 1   28 22 o 218.169 25.765 10.487  2.3345 8.7486  3.1063  12.743  3.5389 194.209 39.121 236.562 36.499 -42.35307      53.50331 
1 1 1 1   28 23 o 157.383 31.333 5.6643  2.0149 4.7787  2.7752  6.6517  2.9302 142.482 42.657 167.266 41.552 -24.78398      59.54965 
1 1 1 1   28 24 o 80.069  31.504 0.9093  1.5669 -0.4684 1.9267  3.6000  2.6927 71.870  31.859 126.344 42.530 -54.47352      53.13936 
1 1 1 1   28 25 o 173.320 30.015 6.8819  2.1233 5.5510  2.7034  9.0247  3.4303 151.294 41.118 192.314 43.177 -41.01945      59.62333 
1 1 1 1   28 26 o 156.680 40.066 5.9757  2.6690 5.9757  2.6690  0.0000  0.0000 156.680 40.066 ?       ?      0.000000       40.06634 
1 1 1 1   29 0  o 259.533 18.693 14.383  2.0408 19.183  3.1943  11.072  2.6529 299.019 25.468 226.093 28.329 72.92618       38.09362 
1 1 1 1   29 1  o 256.663 15.276 14.028  1.6529 14.347  3.4029  13.930  1.8910 257.163 31.933 255.524 17.582 1.639191       36.45371 
1 1 1 1   29 2  o 472.789 16.668 47.453  3.3374 0.0000  0.0000  47.453  3.3374 ?       ?      472.789 16.668 0.000000       16.66831 
1 1 1 1   29 3  o 480.844 16.322 49.077  3.3236 0.0000  0.0000  49.077  3.3236 ?       ?      480.844 16.322 0.000000       16.32171 
1 1 1 1   29 4  o 734.318 17.480 114.497 5.4359 0.0000  0.0000  114.497 5.4359 ?       ?      734.318 17.480 0.000000       17.48008 
1 1 1 1   29 5  o 372.529 14.533 29.443  2.2928 34.751  4.5598  27.647  2.6525 402.888 26.879 360.838 17.358 42.04971       31.99685 
1 1 1 1   29 6  o 271.447 16.664 15.701  1.9064 15.076  3.8197  15.909  2.2000 263.062 35.167 272.967 19.152 -9.905426      40.04399 
1 1 1 1   29 7  o 462.077 12.910 45.285  2.5263 44.690  3.5890  45.868  3.5568 458.644 18.478 464.684 18.074 -6.039673      25.84777 
1 1 1 1   29 8  o 773.098 26.391 127.455 8.6405 0.0000  0.0000  127.455 8.6405 ?       ?      773.098 26.391 0.000000       26.39142 
1 1 1 1   29 9  o 489.171 15.215 50.795  3.1520 54.682  5.1876  48.521  3.9685 506.575 24.181 477.699 19.617 28.87613       31.13789 
1 1 1 1   29 10 o 616.468 19.252 80.816  5.0260 0.0000  0.0000  80.816  5.0260 ?       ?      616.468 19.252 0.000000       19.25153 
1 1 1 1   29 11 o 317.551 17.561 21.499  2.3525 22.799  3.8209  20.705  2.9854 325.383 28.001 310.875 22.837 14.50769       36.13256 
1 1 1 1   29 12 o 709.758 16.291 107.040 4.8966 112.301 8.1041  104.015 6.1452 724.947 26.397 698.899 20.762 26.04834       33.58385 
1 1 1 1   29 13 o 344.185 18.124 25.266  2.6324 23.333  4.2267  26.491  3.3647 328.448 30.745 351.747 22.709 -23.29831      38.22225 
1 1 1 1   29 14 o 192.617 25.131 8.0567  2.0011 8.1904  2.8040  7.9180  2.8569 191.988 35.804 188.416 37.124 3.571777       51.57660 
1 1 1 1   29 15 o 260.457 22.350 14.578  2.4414 14.680  3.2783  14.452  3.6580 259.782 30.372 256.743 34.518 3.038635       45.97795 
1 1 1 1   29 16 o 331.193 18.967 23.450  2.6493 23.848  3.9209  23.116  3.5936 332.119 28.142 327.410 26.136 4.709778       38.40630 
1 1 1 1   29 17 o 421.395 20.616 37.943  3.6791 37.086  5.0308  38.929  5.3943 413.857 28.885 423.617 30.268 -9.759552      41.83901 
1 1 1 1   29 18 o 486.267 28.673 51.277  5.8784 51.277  5.8784  0.0000  0.0000 486.267 28.673 ?       ?      0.000000       28.67265 
1 1 1 1   29 19 o 398.592 28.795 34.614  4.8278 34.614  4.8278  0.0000  0.0000 398.592 28.795 ?       ?      0.000000       28.79451 
1 1 1 1   29 20 o 126.185 39.390 3.5443  2.3346 0.0000  0.0000  3.5443  2.3346 ?       ?      126.185 39.390 0.000000       39.38978 
1 1 1 1   29 21 o 500.779 21.274 54.007  4.5118 54.167  6.1012  53.813  6.7024 497.137 29.107 493.626 32.239 3.511139       43.43425 
1 1 1 1   29 22 o 340.418 22.400 25.208  3.2112 24.834  4.2952  25.681  4.8354 334.037 30.707 337.747 34.281 -3.709900      46.02314 
1 1 1 1   29 23 o 275.965 24.375 16.732  2.8194 17.790  3.7648  15.381  4.2543 280.954 32.225 256.635 40.487 24.31909       51.74555 
1 1 1 1   29 24 o 134.650 32.249 4.2210  1.8147 4.0296  2.2994  4.5370  2.9548 130.751 38.757 138.330 44.455 -7.579498      58.97768 
1 1 1 1   29 25 o 171.235 30.402 6.7572  2.1239 10.469  2.7484  1.2543  3.3464 213.559 31.320 106.151 44.416 107.4080       54.34781 
1 1 1 1   29 26 f 150.109 40.463 5.5079  2.6306 5.5079  2.6306  0.0000  0.0000 150.109 40.463 ?       ?      0.000000       40.46309 
1 1 1 1   30 0  o 232.173 17.346 11.510  1.6932 0.0000  0.0000  11.510  1.6932 ?       ?      232.173 17.346 0.000000       17.34641 
1 1 1 1   30 1  o 298.562 16.867 18.985  2.1240 0.0000  0.0000  18.985  2.1240 ?       ?      298.562 16.867 0.000000       16.86737 
1 1 1 1   30 2  f 801.614 14.176 136.323 4.8125 129.147 8.5529  139.647 5.8215 778.502 25.943 810.999 16.950 -32.49640      30.98897 
1 1 1 1   30 3  o 339.895 12.177 24.497  1.7528 20.638  2.4884  28.297  2.4693 311.091 18.979 365.120 15.969 -54.02905      24.80356 
1 1 1 1   30 4  o 523.018 12.029 58.003  2.6643 56.943  3.7593  59.072  3.7766 517.848 17.142 527.460 16.907 -9.612183      24.07670 
1 1 1 1   30 5  o 487.089 12.088 50.310  2.4934 51.089  3.5769  49.574  3.4775 490.483 17.220 483.172 16.995 7.310730       24.19453 
1 1 1 1   30 6  o 157.646 18.064 5.3483  1.1842 4.6370  1.7196  5.9900  1.6333 144.835 29.046 166.035 23.919 -21.20027      37.62675 
1 1 1 1   30 7  o 312.925 13.958 20.777  1.8498 21.129  2.6874  20.460  2.5499 314.560 20.282 309.614 19.547 4.945770       28.16856 
1 1 1 1   30 8  o 668.244 18.501 94.917  5.2358 0.0000  0.0000  94.917  5.2358 ?       ?      668.244 18.501 0.000000       18.50149 
1 1 1 1   30 9  o 485.410 14.929 50.024  3.0690 46.933  4.8916  52.031  3.9412 468.452 24.745 494.667 18.814 -26.21466      31.08476 
1 1 1 1   30 10 o 184.342 21.477 7.3337  1.6452 9.7328  2.7006  5.9179  2.0746 210.916 31.175 163.555 31.089 47.36050       44.02693 
1 1 1 1   30 11 o 293.301 18.180 18.365  2.2470 20.546  3.6897  17.080  2.8328 308.550 28.561 281.939 23.953 26.61087       37.27540 
1 1 1 1   30 12 o 581.819 16.026 71.935  3.9488 78.305  6.3152  67.846  5.0599 605.562 24.626 564.290 21.174 41.27234       32.47679 
1 1 1 1   30 13 o 293.685 21.444 18.480  2.6487 19.653  3.8511  17.426  3.6487 301.147 30.623 283.330 30.910 17.81754       43.51087 
1 1 1 1   30 14 f 307.489 20.175 20.229  2.6126 19.529  3.5776  21.030  3.8243 300.552 28.447 311.793 29.307 -11.24115      40.84225 
1 1 1 1   30 15 o 457.538 19.658 44.621  3.8090 42.456  5.1413  47.254  5.6709 444.096 27.472 468.254 28.737 -24.15744      39.75549 
1 1 1 1   30 16 o 144.978 28.047 4.6697  1.6597 3.4042  2.3496  5.9299  2.3448 125.345 39.575 162.335 35.127 -36.98904      52.91623 
1 1 1 1   30 17 o 164.941 34.576 6.1352  2.3380 7.5976  2.6980  1.7257  4.6848 183.626 35.981 129.766 53.256 53.86000       64.27194 
1 1 1 1   30 18 o 315.096 30.083 21.735  3.9655 21.735  3.9655  0.0000  0.0000 315.096 30.083 ?       ?      0.000000       30.08267 
1 1 1 1   30 19 o 444.525 30.648 43.259  5.7343 0.0000  0.0000  43.259  5.7343 ?       ?      444.525 30.648 0.000000       30.64771 
1 1 1 1   30 20 o 120.634 41.691 3.0475  2.5905 0.0000  0.0000  3.0475  2.5905 ?       ?      120.634 41.691 0.000000       41.69074 
1 1 1 1   30 21 o 401.989 21.692 34.998  3.6792 26.438  4.8465  46.641  5.6522 343.710 33.731 460.243 29.150 -116.5331      44.58132 
1 1 1 1   30 22 o 186.355 28.267 7.7982  2.1608 8.9645  2.8363  6.1851  3.3356 197.225 35.253 160.023 46.471 37.20224       58.32964 
1 1 1 1   30 23 o 159.587 30.646 5.8317  1.9959 7.6207  2.7380  3.8031  2.9156 180.305 37.095 129.667 44.252 50.63834       57.74355 
1 1 1 1   30 24 o 132.741 31.979 4.1215  1.7764 4.0371  2.2209  4.2715  2.9597 130.331 37.939 134.275 44.580 -3.943680      58.53867 
1 1 1 1   30 25 o 428.476 22.299 40.349  4.0323 31.925  5.3093  51.832  6.1984 372.015 34.079 478.074 30.779 -106.0588      45.92067 
1 1 1 1   31 0  o 935.178 12.598 185.474 4.9895 180.301 7.0787  190.582 7.0338 921.270 18.144 947.273 17.534 -26.00220      25.23132 
1 1 1 1   31 1  o 345.292 11.952 25.281  1.7477 27.620  2.6097  23.380  2.3533 360.642 17.087 331.398 16.823 29.24438       23.97902 
1 1 1 1   31 2  o 677.696 11.838 97.385  3.3974 99.140  4.8563  95.704  4.7547 683.289 16.783 671.350 16.723 11.93829       23.69246 
1 1 1 1   31 3  o 322.294 12.957 22.032  1.7685 23.123  2.5056  20.949  2.4964 329.427 18.029 313.408 18.897 16.01959       26.11738 
1 1 1 1   31 4  o 796.827 12.552 134.665 4.2356 137.949 5.9959  131.393 5.9842 805.854 17.569 786.412 17.969 19.44208       25.13063 
1 1 1 1   31 5  o 598.437 12.238 75.953  3.1015 77.858  4.4430  74.143  4.3314 605.407 17.329 590.791 17.312 14.61639       24.49528 
1 1 1 1   31 6  o 573.824 12.464 69.842  3.0288 67.720  4.3006  71.932  4.2665 564.509 17.989 581.878 17.314 -17.36865      24.96763 
1 1 1 1   31 7  o 518.608 12.757 57.058  2.8017 56.728  3.9742  57.384  3.9505 516.601 18.165 519.607 17.953 -3.005371      25.53991 
1 1 1 1   31 8  f 517.612 18.792 56.978  4.1192 0.0000  0.0000  56.978  4.1192 ?       ?      517.612 18.792 0.000000       18.79167 
1 1 1 1   31 9  o 416.310 15.061 36.807  2.6554 38.817  4.1866  35.453  3.4346 426.038 23.293 408.141 19.871 17.89743       30.61730 
1 1 1 1   31 10 o 421.707 15.574 37.781  2.7814 35.512  4.3951  39.296  3.5923 406.924 25.635 429.652 19.743 -22.72839      32.35667 
1 1 1 1   31 11 o 268.565 18.395 15.417  2.0796 14.958  3.3859  15.695  2.6352 262.225 31.096 270.241 23.252 -8.015594      38.82785 
1 1 1 1   31 12 o 395.488 18.932 33.293  3.1708 34.754  4.3994  31.713  4.5740 402.342 25.959 383.747 28.346 18.59531       38.43614 
1 1 1 1   31 13 o 331.033 20.344 23.437  2.8382 22.948  3.9683  23.949  4.0609 325.861 29.061 332.940 29.093 -7.079468      41.12124 
1 1 1 1   31 14 o 321.532 18.718 22.093  2.5377 22.600  3.8824  21.715  3.3532 323.256 28.657 317.594 25.137 5.661987       38.11920 
1 1 1 1   31 15 o 653.545 19.615 91.126  5.4289 85.595  7.4373  97.435  7.9428 630.999 27.832 673.218 27.860 -42.21893      39.37975 
1 1 1 1   31 16 o 252.415 25.075 13.817  2.6449 16.347  3.0840  6.7822  5.1427 274.300 26.895 175.047 58.776 99.25287       64.63733 
1 1 1 1   31 17 o 225.492 26.954 11.125  2.5230 11.452  2.9724  10.280  4.7720 227.476 31.718 208.465 53.718 19.01151       62.38326 
1 1 1 1   31 18 o 596.861 22.665 76.621  5.7290 0.0000  0.0000  76.621  5.7290 ?       ?      596.861 22.665 0.000000       22.66542 
1 1 1 1   31 19 o 336.107 33.662 25.056  4.7270 0.0000  0.0000  25.056  4.7270 ?       ?      336.107 33.662 0.000000       33.66187 
1 1 1 1   31 20 o 363.928 21.182 28.630  3.2504 26.321  4.3443  31.567  4.8990 345.343 30.003 377.968 30.876 -32.62473      43.05213 
1 1 1 1   31 21 o 215.865 26.745 10.342  2.3926 6.0977  3.1251  16.354  3.7192 159.599 44.542 269.119 33.348 -109.5199      55.64241 
1 1 1 1   31 22 o 173.062 28.625 6.7683  2.0246 4.0610  2.6633  10.474  3.1162 132.235 42.176 212.936 35.829 -80.70062      55.33974 
1 1 1 1   31 23 o 233.215 23.830 12.015  2.3205 9.7925  3.0579  15.032  3.5632 204.628 36.632 256.231 33.651 -51.60350      49.74248 
1 1 1 1   31 24 o 175.837 29.760 7.1057  2.1370 10.325  2.8639  3.0609  3.2100 210.910 33.158 121.124 45.757 89.78580       56.50781 
1 1 1 1   31 25 o 362.765 22.963 29.051  3.5096 27.650  4.6458  30.912  5.3563 347.385 31.937 364.616 35.123 -17.23178      47.47245 
1 1 1 1   32 0  o 915.832 12.664 177.907 4.9115 177.038 6.9877  178.756 6.9049 912.778 18.077 917.249 17.776 -4.471802      25.35262 
1 1 1 1   32 1  o 314.031 12.713 20.918  1.6906 21.268  2.5536  20.644  2.2558 315.725 19.190 311.278 17.179 4.447296       25.75597 
1 1 1 1   32 2  o 352.346 12.261 26.331  1.8295 25.302  2.6620  27.251  2.5185 344.570 18.308 358.207 16.602 -13.63757      24.71480 
1 1 1 1   32 3  o 194.481 16.684 8.0922  1.3608 7.1918  1.9238  8.9937  1.9251 181.874 25.693 204.282 22.633 -22.40823      34.23984 
1 1 1 1   32 4  o 496.895 12.126 52.368  2.5516 51.062  3.6326  53.641  3.5849 490.215 17.498 502.505 16.846 -12.28998      24.28904 
1 1 1 1   32 5  o 182.053 17.219 7.1047  1.3118 7.2425  1.8814  6.9744  1.8300 182.615 24.983 179.180 24.780 3.435410       35.18767 
1 1 1 1   32 6  o 702.533 12.725 104.715 3.7858 105.161 5.3858  104.280 5.3226 703.315 18.082 700.385 17.945 2.929993       25.47533 
1 1 1 1   32 7  o 544.375 12.908 62.884  2.9757 60.748  4.2707  64.900  4.1486 534.399 18.871 552.507 17.731 -18.10730      25.89365 
1 1 1 1   32 8  o 245.063 22.095 12.902  2.2684 0.0000  0.0000  12.902  2.2684 ?       ?      245.063 22.095 0.000000       22.09529 
1 1 1 1   32 9  o 349.938 15.972 26.022  2.3670 21.761  3.7522  28.839  3.0505 317.601 28.190 367.535 19.670 -49.93384      34.37438 
1 1 1 1   32 10 o 738.761 15.475 115.967 4.8415 122.479 7.9654  112.153 6.0970 757.142 24.842 725.696 19.839 31.44574       31.79171 
1 1 1 1   32 11 o 663.997 18.619 93.840  5.2356 94.887  7.0995  92.591  7.7519 666.275 25.161 657.475 27.841 8.799805       37.52611 
1 1 1 1   32 12 o 486.029 18.901 50.296  3.8903 53.585  5.3092  46.483  5.7168 499.993 25.154 464.592 29.205 35.40155       38.54406 
1 1 1 1   32 13 o 194.696 21.869 8.1901  1.7719 9.5006  2.6796  7.1719  2.3621 207.894 31.416 179.896 32.187 27.99785       44.97739 
1 1 1 1   32 14 o 606.572 16.142 78.299  4.1464 71.333  6.6653  82.697  5.2960 576.284 27.311 622.520 20.088 -46.23621      33.90340 
1 1 1 1   32 15 o 207.377 32.936 9.5416  2.7958 9.5416  2.7958  0.0000  0.0000 207.377 32.936 ?       ?      0.000000       32.93587 
1 1 1 1   32 16 o 380.754 21.540 31.169  3.4590 36.323  4.3625  22.443  5.6764 409.998 25.248 315.186 43.703 94.81198       50.47187 
1 1 1 1   32 17 o 302.975 24.377 19.905  3.1012 0.0000  0.0000  19.905  3.1012 ?       ?      302.975 24.377 0.000000       24.37670 
1 1 1 1   32 18 o 370.430 25.353 29.806  3.9533 0.0000  0.0000  29.806  3.9533 ?       ?      370.430 25.353 0.000000       25.35326 
1 1 1 1   32 19 f 401.867 18.116 34.616  3.0831 35.085  4.7078  34.264  4.0796 400.365 27.941 397.176 24.372 3.188538       37.07753 
1 1 1 1   32 20 o 189.037 26.864 7.9502  2.0901 7.9777  2.6904  7.9083  3.3196 186.293 35.395 182.338 43.582 3.955353       56.14455 
1 1 1 1   32 21 o 149.862 30.825 5.1537  1.8910 3.4832  2.4151  7.8011  3.0403 123.732 40.231 181.164 40.629 -57.43205      57.17758 
1 1 1 1   32 22 o 342.332 22.254 25.609  3.2088 24.250  4.2723  27.367  4.8601 328.309 31.099 347.359 33.453 -19.05020      45.67504 
1 1 1 1   32 23 o 293.659 22.947 18.998  2.8311 18.997  3.8602  18.999  4.1646 288.411 32.152 286.521 35.053 1.889862       47.56512 
1 1 1 1   32 24 o 186.523 28.936 7.9703  2.2116 9.6874  2.8237  5.2450  3.5572 203.289 33.999 145.018 48.882 58.27095       59.54361 
1 1 1 1   32 25 o 229.858 25.690 11.866  2.4580 8.9745  3.1928  16.074  3.8513 191.536 40.621 261.516 35.708 -69.97990      54.08426 
1 1 1 1   33 0  o 434.176 11.831 39.982  2.1754 39.696  3.0931  40.262  3.0602 432.248 16.897 435.346 16.598 -3.097931      23.68608 
1 1 1 1   33 1  o 364.232 12.261 28.141  1.8912 26.467  2.7728  29.597  2.5861 352.333 18.649 373.276 16.359 -20.94244      24.80794 
1 1 1 1   33 2  o 592.573 11.979 74.481  3.0061 73.718  4.2969  75.213  4.2070 588.986 17.227 594.992 16.696 -6.006531      23.99037 
1 1 1 1   33 3  f 445.681 12.422 42.139  2.3445 43.573  3.2853  40.651  3.3469 452.812 17.132 437.280 18.073 15.53204       24.90300 
1 1 1 1   33 4  o 352.932 13.178 26.433  1.9696 26.792  2.8168  26.089  2.7551 354.423 18.834 349.753 18.668 4.669952       26.51848 
1 1 1 1   33 5  o 182.358 17.989 7.1391  1.3711 7.1474  1.9660  7.1312  1.9131 181.053 26.420 180.985 25.680 0.6822205E-01  36.84400 
1 1 1 1   33 6  o 568.451 12.508 68.568  3.0111 69.282  4.3391  67.904  4.1818 570.766 17.952 565.127 17.473 5.638855       25.05142 
1 1 1 1   33 7  o 275.705 17.581 16.230  2.0420 15.981  2.4819  16.752  3.5928 272.985 21.646 277.742 31.078 -4.756439      37.87365 
1 1 1 1   33 8  o 461.155 18.625 45.258  3.6373 0.0000  0.0000  45.258  3.6373 ?       ?      461.155 18.625 0.000000       18.62463 
1 1 1 1   33 9  o 301.766 17.004 19.426  2.1641 19.307  3.3381  19.513  2.8424 299.229 26.620 301.619 22.413 -2.390106      34.79925 
1 1 1 1   33 10 o 934.328 19.530 185.928 7.7278 178.759 10.451  194.577 11.479 913.719 27.007 952.712 28.452 -38.99268      39.22864 
1 1 1 1   33 11 o 198.640 21.918 8.5185  1.8131 7.6192  2.8096  9.1603  2.3735 184.530 37.237 204.880 28.095 -20.34995      46.64660 
1 1 1 1   33 12 o 500.281 15.991 53.226  3.3880 58.264  5.4193  49.994  4.3408 521.899 24.520 484.065 21.175 37.83359       32.39737 
1 1 1 1   33 13 o 178.071 21.777 6.8735  1.6080 9.7744  2.4188  4.5762  2.1525 211.590 27.656 142.537 35.728 69.05290       45.18107 
1 1 1 1   33 14 o 298.922 22.270 19.233  2.7990 20.461  3.4636  16.920  4.7519 307.262 26.889 274.451 42.239 32.81122       50.07146 
1 1 1 1   33 15 o 73.291  31.716 -0.1700 1.8100 -0.1700 1.8100  0.0000  0.0000 73.291  31.716 ?       ?      0.000000       31.71650 
1 1 1 1   33 16 o 250.718 28.413 13.789  2.9635 0.0000  0.0000  13.789  2.9635 ?       ?      250.718 28.413 0.000000       28.41286 
1 1 1 1   33 17 o 584.708 22.338 73.584  5.5312 0.0000  0.0000  73.584  5.5312 ?       ?      584.708 22.338 0.000000       22.33772 
1 1 1 1   33 18 o 220.665 22.217 10.595  2.0479 9.5479  2.8770  11.670  2.9158 205.612 34.245 229.005 30.850 -23.39262      46.09222 
1 1 1 1   33 19 o 454.600 18.216 44.372  3.5069 46.375  5.3459  42.859  4.6464 459.927 27.574 443.523 24.837 16.40353       37.11068 
1 1 1 1   33 20 o 308.024 19.548 20.557  2.5368 17.355  3.6958  23.409  3.4882 277.610 32.023 326.282 25.446 -48.67175      40.90203 
1 1 1 1   33 21 o 95.414  32.149 1.9474  1.5386 2.1879  2.0244  1.6185  2.3676 103.182 36.760 99.625  38.863 3.557205       53.49440 
1 1 1 1   33 22 f 176.821 26.974 7.0530  1.9559 5.8896  2.6248  8.5057  2.9330 156.457 39.584 189.496 37.873 -33.03883      54.78380 
1 1 1 1   33 23 f 249.822 24.225 13.889  2.5308 17.359  3.3977  9.5655  3.7929 276.464 29.475 194.463 46.654 82.00043       55.18490 
1 1 1 1   33 24 o 393.164 22.337 34.091  3.7038 32.623  4.8946  36.058  5.6655 377.850 30.858 394.021 34.295 -16.17053      46.13377 
1 1 1 1   34 0  o 418.744 12.446 37.204  2.2071 38.081  3.1794  36.389  3.0664 423.204 17.740 413.719 17.502 9.485596       24.92008 
1 1 1 1   34 1  f 535.866 11.868 60.916  2.6933 64.537  3.9289  57.706  3.6994 551.044 16.836 521.074 16.764 29.97076       23.75902 
1 1 1 1   34 2  o 430.514 12.014 39.321  2.1904 37.366  3.1226  41.216  3.0735 419.211 17.589 440.388 16.480 -21.17651      24.10298 
1 1 1 1   34 3  o 197.738 16.781 8.3703  1.3920 8.1202  2.1306  8.5565  1.8387 193.102 26.774 199.146 22.178 -6.043976      34.76707 
1 1 1 1   34 4  o 130.385 25.268 3.7532  1.3448 1.6848  1.9664  5.5711  1.8434 98.352  36.067 158.989 28.421 -60.63673      45.91949 
1 1 1 1   34 5  o 496.698 12.673 52.359  2.6658 53.292  3.7418  51.398  3.7990 500.563 17.651 491.512 18.251 9.050812       25.39030 
1 1 1 1   34 6  o 439.468 13.230 41.000  2.4623 41.393  3.5319  40.628  3.4344 440.979 18.913 436.928 18.561 4.050720       26.49895 
1 1 1 1   34 7  o 635.101 14.871 85.694  3.9998 85.506  4.9953  86.030  6.6769 633.805 18.611 634.448 24.850 -0.6422729     31.04661 
1 1 1 1   34 8  o 858.413 16.089 156.656 5.8489 152.596 7.1275  165.028 10.235 846.324 19.886 877.669 27.536 -31.34540      33.96645 
1 1 1 1   34 9  o 631.207 17.751 84.784  4.7451 78.135  6.3332  93.293  7.1646 604.544 24.737 660.356 25.620 -55.81274      35.61305 
1 1 1 1   34 10 o 609.038 15.352 78.844  3.9597 78.283  6.3569  79.200  5.0616 605.003 24.811 609.674 19.604 -4.671387      31.62124 
1 1 1 1   34 11 o 122.039 29.443 3.3273  1.5042 2.9002  2.4188  3.5965  1.9207 119.155 40.308 126.964 34.722 -7.809357      53.20121 
1 1 1 1   34 12 o 570.651 19.084 69.440  4.6120 70.590  6.0568  67.853  7.1149 573.943 24.919 560.418 30.089 13.52472       39.06802 
1 1 1 1   34 13 o 437.351 19.587 40.849  3.6278 41.211  4.5927  40.248  5.9158 437.466 24.893 429.697 32.756 7.769440       41.14134 
1 1 1 1   34 14 o 206.116 21.060 9.1903  1.8125 6.8982  2.5980  11.364  2.5299 174.529 36.331 228.102 26.695 -53.57297      45.08400 
1 1 1 1   34 15 o 181.781 38.528 7.5512  2.8739 0.0000  0.0000  7.5512  2.8739 ?       ?      181.781 38.528 0.000000       38.52806 
1 1 1 1   34 16 o 314.606 23.706 21.458  3.1352 0.0000  0.0000  21.458  3.1352 ?       ?      314.606 23.706 0.000000       23.70635 
1 1 1 1   34 17 o 202.579 22.123 8.9411  1.8671 7.9044  2.7697  9.8047  2.5278 185.974 36.471 210.180 29.188 -24.20584      46.71221 
1 1 1 1   34 18 o 339.239 19.307 24.813  2.7622 22.981  3.9940  26.493  3.8243 322.556 29.568 348.028 26.138 -25.47235      39.46469 
1 1 1 1   34 19 o 174.997 26.942 6.8504  1.9326 5.2915  2.5623  8.9072  2.9432 149.738 39.745 196.108 36.791 -46.36961      54.15937 
1 1 1 1   34 20 o 402.767 21.174 35.297  3.5989 34.251  4.7485  36.709  5.5167 392.327 28.781 403.540 32.558 -11.21350      43.45547 
1 1 1 1   34 21 o 411.552 18.490 36.599  3.2225 34.629  4.8845  38.117  4.2882 393.319 29.541 416.262 24.433 -22.94360      38.33533 
1 1 1 1   34 22 o 106.378 31.156 2.6185  1.4937 2.9601  2.0914  2.2628  2.1341 113.655 37.462 104.163 37.668 9.491508       53.12478 
1 1 1 1   34 23 o 252.459 23.923 14.204  2.5272 13.181  3.3011  15.653  3.9283 237.454 33.779 256.601 37.237 -19.14641      50.27548 
1 1 1 1   34 24 o 188.298 28.515 8.1339  2.2027 6.0849  2.9685  10.644  3.2857 155.413 43.425 209.973 38.364 -54.56007      57.94397 
1 1 1 1   35 0  o 363.696 12.645 28.074  1.9476 31.865  2.7932  24.486  2.7171 387.111 17.038 338.640 19.024 48.47107       25.53818 
1 1 1 1   35 1  o 313.913 13.178 20.919  1.7519 21.211  2.6416  20.689  2.3407 314.975 19.906 311.354 17.826 3.621521       26.72098 
1 1 1 1   35 2  o 144.091 20.097 4.5063  1.1930 6.1739  1.7701  3.1187  1.6148 168.069 25.685 118.437 31.607 49.63208       40.72742 
1 1 1 1   35 3  o 396.614 12.547 33.386  2.1075 32.740  3.0876  33.950  2.8836 392.207 18.590 399.554 17.042 -7.347382      25.21892 
1 1 1 1   35 4  o 163.159 21.930 5.7777  1.4769 8.0261  2.1287  3.6905  2.0509 191.825 26.947 128.913 36.121 62.91199       45.06504 
1 1 1 1   35 5  o 375.165 14.286 29.897  2.2697 28.746  3.2441  31.002  3.1767 366.612 20.982 380.981 19.757 -14.36835      28.81965 
1 1 1 1   35 6  o 192.685 20.737 8.0047  1.6655 8.1594  2.1871  7.7910  2.5698 193.287 27.494 187.449 33.606 5.837158       43.41994 
1 1 1 1   35 7  o 536.487 18.871 61.293  4.2875 61.293  4.2875  0.0000  0.0000 536.487 18.871 ?       ?      0.000000       18.87144 
1 1 1 1   35 8  o 336.082 15.173 24.007  2.1596 23.282  3.1514  24.649  2.9653 329.437 22.728 339.375 20.732 -9.937836      30.76274 
1 1 1 1   35 9  o 98.240  30.315 2.0733  1.3873 3.5088  2.1114  0.9828  1.8403 126.124 37.073 87.125  34.186 38.99909       50.42865 
1 1 1 1   35 10 o 608.681 18.410 78.928  4.7456 73.622  6.2734  86.026  7.2559 586.300 25.266 633.239 27.057 -46.93915      37.01973 
1 1 1 1   35 11 o 336.793 20.789 24.314  2.9506 22.296  3.6874  27.906  4.9198 320.996 27.388 357.810 32.834 -36.81412      42.75690 
1 1 1 1   35 12 f 288.339 22.480 17.910  2.7233 19.874  3.3390  14.008  4.7065 302.908 26.290 247.661 46.584 55.24770       53.49077 
1 1 1 1   35 13 o 320.899 22.998 22.213  3.1046 0.0000  0.0000  22.213  3.1046 ?       ?      320.899 22.998 0.000000       22.99760 
1 1 1 1   35 14 o 444.860 21.054 42.452  3.9665 0.0000  0.0000  42.452  3.9665 ?       ?      444.860 21.054 0.000000       21.05410 
1 1 1 1   35 15 o 215.750 23.101 10.137  2.0779 14.072  2.8620  5.7508  3.0218 253.417 27.088 157.383 43.755 96.03407       51.46123 
1 1 1 1   35 16 f 265.728 18.746 15.213  2.0960 13.390  3.1520  16.658  2.8064 245.524 31.006 276.594 24.203 -31.06943      39.33380 
1 1 1 1   35 17 o 465.029 17.173 46.326  3.3821 35.348  5.2660  54.034  4.4123 399.766 31.357 500.873 20.802 -101.1076      37.62912 
1 1 1 1   35 18 f 526.839 17.551 59.616  3.9159 60.692  6.1016  58.862  5.1063 525.541 27.511 520.778 23.153 4.762695       35.95718 
1 1 1 1   35 19 o 307.087 21.781 20.581  2.8142 17.029  3.6276  25.949  4.4598 274.575 31.785 339.837 31.342 -65.26242      44.63854 
1 1 1 1   35 20 o 241.104 22.357 12.772  2.2568 12.311  3.1392  13.265  3.2467 231.954 32.878 241.022 32.648 -9.068192      46.33446 
1 1 1 1   35 21 o 191.809 23.963 8.1948  1.9040 8.4754  2.6818  7.9096  2.7037 190.386 34.534 182.974 36.174 7.411713       50.01101 
1 1 1 1   35 22 o 204.686 23.657 9.3574  2.0128 5.9685  2.9239  12.410  2.7751 154.446 43.077 233.428 28.675 -78.98238      51.74877 
1 1 1 1   35 23 o 78.260  30.834 0.9302  1.5029 -0.0000 1.9590  2.2610  2.3431 75.526  32.840 104.914 39.203 -29.38790      51.14032 
1 1 1 1   36 0  o 854.493 12.774 155.007 4.6226 153.567 6.6198  156.377 6.4580 849.338 18.404 857.225 17.789 -7.886719      25.59649 
1 1 1 1   36 1  o 161.789 20.682 5.6691  1.3846 5.8441  2.1501  5.5452  1.8098 162.011 32.469 158.584 27.971 3.427017       42.85514 
1 1 1 1   36 2  o 338.109 13.189 24.274  1.8885 22.007  2.6895  26.478  2.6522 320.762 19.897 352.277 17.836 -31.51474      26.72135 
1 1 1 1   36 3  o 706.979 12.460 106.100 3.7305 105.071 5.3117  107.102 5.2404 702.618 17.851 709.456 17.442 -6.838379      24.95775 
1 1 1 1   36 4  o 282.162 17.761 17.011  2.1115 15.877  2.7271  18.709  3.3364 271.527 23.962 294.290 27.074 -22.76321      36.15487 
1 1 1 1   36 5  o 723.498 15.112 111.256 4.6304 101.578 5.6996  130.045 7.9411 690.451 19.492 779.966 24.042 -89.51514      30.95079 
1 1 1 1   36 6  o 145.738 25.554 4.6757  1.5197 3.6129  2.0503  5.9714  2.2639 127.568 36.246 163.487 33.814 -35.91914      49.57010 
1 1 1 1   36 7  o 143.061 45.014 4.4564  3.0421 0.0000  0.0000  4.4564  3.0421 ?       ?      143.061 45.014 0.000000       45.01391 
1 1 1 1   36 8  o 318.659 20.642 21.752  2.7706 26.024  3.5628  15.216  4.4069 347.931 24.333 261.292 41.190 86.63965       47.84073 
1 1 1 1   36 9  o 218.218 24.316 10.317  2.2089 12.189  2.6822  6.3705  3.8942 236.785 27.245 168.199 50.570 68.58636       57.44216 
1 1 1 1   36 10 o 284.607 22.373 17.433  2.6748 16.335  3.3439  19.384  4.4573 273.849 29.287 296.529 36.249 -22.67920      46.60208 
1 1 1 1   36 11 o 392.805 21.212 33.108  3.5156 0.0000  0.0000  33.108  3.5156 ?       ?      392.805 21.212 0.000000       21.21220 
1 1 1 1   36 12 o 305.922 22.662 20.192  2.9151 0.0000  0.0000  20.192  2.9151 ?       ?      305.922 22.662 0.000000       22.66194 
1 1 1 1   36 13 o 313.762 22.769 21.273  3.0049 0.0000  0.0000  21.273  3.0049 ?       ?      313.762 22.769 0.000000       22.76947 
1 1 1 1   36 14 o 394.010 16.633 33.174  2.7754 29.210  4.2674  36.080  3.6536 365.791 27.754 409.237 21.154 -43.44559      34.89707 
1 1 1 1   36 15 o 451.513 18.899 43.726  3.6138 44.431  4.8656  42.859  5.3969 452.099 25.517 442.360 28.969 9.738922       38.60487 
1 1 1 1   36 16 o 176.412 21.776 6.8083  1.5923 7.3248  2.3065  6.3379  2.2010 180.209 31.362 167.063 32.278 13.14598       45.00496 
1 1 1 1   36 17 o 141.546 26.314 4.5025  1.5193 4.4995  2.1099  4.5058  2.1895 139.241 35.633 139.192 36.642 0.4870605E-01  51.11066 
1 1 1 1   36 18 o 218.898 24.527 10.590  2.2346 9.8476  2.8409  11.794  3.6188 207.348 33.495 224.241 39.552 -16.89314      51.82927 
1 1 1 1   36 19 f 346.529 18.968 26.044  2.7730 24.500  4.0378  27.422  3.8148 330.819 29.118 352.144 25.759 -21.32550      38.87655 
1 1 1 1   36 20 o 180.657 27.353 7.3789  2.0272 6.2047  2.7844  8.7033  2.9572 159.848 40.949 191.522 37.802 -31.67439      55.72990 
1 1 1 1   36 21 o 158.256 26.218 5.6983  1.6956 5.5267  2.3422  5.8873  2.4579 151.318 36.885 155.913 37.650 -4.594498      52.70704 
1 1 1 1   36 22 o 245.719 20.617 13.315  2.1255 13.463  3.0256  13.170  2.9867 241.783 30.208 239.146 30.161 2.636963       42.68773 
1 1 1 1   36 23 o 73.585  31.621 0.1495  1.7744 -0.4773 1.9268  3.6461  4.5512 70.651  31.555 131.803 53.079 -61.15193      61.75043 
1 1 1 1   37 0  o 550.151 15.203 64.340  3.5420 63.576  4.4101  65.728  5.9455 546.265 19.063 554.131 25.336 -7.865906      31.70662 
1 1 1 1   37 1  o 340.791 20.615 24.858  2.9612 24.858  2.9612  0.0000  0.0000 340.791 20.615 ?       ?      0.000000       20.61484 
1 1 1 1   37 2  o 489.378 17.839 50.986  3.6972 50.986  3.6972  0.0000  0.0000 489.378 17.839 ?       ?      0.000000       17.83944 
1 1 1 1   37 3  o 247.573 24.782 13.241  2.5634 13.241  2.5634  0.0000  0.0000 247.573 24.782 ?       ?      0.000000       24.78223 
1 1 1 1   37 4  o 492.495 15.693 51.578  3.2731 50.247  3.9707  54.398  5.7812 485.573 19.309 502.928 27.245 -17.35486      33.39391 
1 1 1 1   37 5  o 522.675 18.247 58.184  4.0389 60.139  5.4606  55.823  6.0013 530.188 24.320 509.243 27.934 20.94458       37.03778 
1 1 1 1   37 6  o 147.218 30.447 4.8316  1.8356 5.4879  2.2481  3.5190  3.1794 156.331 34.846 132.585 46.167 23.74634       57.84124 
1 1 1 1   37 7  o 303.568 29.888 20.020  3.7925 0.0000  0.0000  20.020  3.7925 ?       ?      303.568 29.888 0.000000       29.88813 
1 1 1 1   37 8  o 234.052 17.230 11.730  1.6958 11.379  2.4159  12.072  2.3809 229.004 25.336 236.213 24.141 -7.208450      34.99511 
1 1 1 1   37 9  o 173.997 31.393 6.7375  2.2281 0.0000  0.0000  6.7375  2.2281 ?       ?      173.997 31.393 0.000000       31.39324 
1 1 1 1   37 10 o 384.366 21.835 31.746  3.5395 0.0000  0.0000  31.746  3.5395 ?       ?      384.366 21.835 0.000000       21.83454 
1 1 1 1   37 11 o 435.618 21.543 40.694  3.9743 0.0000  0.0000  40.694  3.9743 ?       ?      435.618 21.543 0.000000       21.54308 
1 1 1 1   37 12 o 104.022 30.652 2.3994  1.4418 1.9943  2.3137  2.6567  1.8435 105.363 39.038 110.513 35.073 -5.150169      52.47951 
1 1 1 1   37 13 o 169.374 20.977 6.2541  1.4724 5.1814  2.0493  7.3989  2.1170 150.944 32.981 182.504 28.308 -31.55969      43.46356 
1 1 1 1   37 14 o 208.435 19.496 9.4058  1.7009 7.1128  2.5513  11.240  2.2820 176.453 35.374 226.785 24.131 -50.33191      42.82113 
1 1 1 1   37 15 o 325.405 17.067 22.741  2.3437 19.669  3.4892  25.267  3.1636 299.013 27.876 341.497 21.992 -42.48428      35.50694 
1 1 1 1   37 16 o 241.661 18.816 12.634  1.9105 10.253  2.8087  14.683  2.6063 213.158 32.111 258.984 24.037 -45.82640      40.11121 
1 1 1 1   37 17 o 140.406 27.524 4.4747  1.5781 4.2140  2.0694  4.8368  2.4394 134.229 35.761 143.023 39.138 -8.794418      53.01529 
1 1 1 1   37 18 f 220.000 20.961 10.605  1.9293 8.8384  2.8549  12.090  2.6174 194.423 35.999 232.536 27.087 -38.11371      45.05122 
1 1 1 1   37 19 o 75.317  29.518 0.8317  1.3707 0.8235  1.7503  0.8449  2.2041 81.499  32.883 88.622  36.469 -7.123344      49.10451 
1 1 1 1   37 20 o 201.895 23.954 9.0959  2.0081 5.1532  2.7253  13.779  2.9703 144.750 41.997 246.346 29.029 -101.5968      51.05287 
1 1 1 1   37 21 o 292.160 20.654 18.791  2.5390 21.611  3.6376  16.112  3.5455 308.539 28.149 263.184 32.501 45.35464       42.99663 
1 1 1 1   37 22 o 183.573 30.810 7.8750  2.3103 8.2785  2.6223  6.4753  4.8836 186.198 34.527 155.155 56.848 31.04266       66.51191 
1 1 1 1   38 0  o 1253.29 17.239 334.376 9.1495 341.933 11.329  320.203 15.515 1265.68 21.136 1219.84 30.034 45.83093       36.72561 
1 1 1 1   38 1  o 636.193 12.779 85.955  3.4430 77.058  4.8915  94.691  4.8470 601.257 19.210 666.952 17.161 -65.69507      25.75915 
1 1 1 1   38 2  o 795.266 12.811 134.317 4.3148 120.966 6.1756  147.051 6.0310 753.270 19.359 831.135 17.134 -77.86462      25.85269 
1 1 1 1   38 3  o 280.891 16.407 16.846  1.9432 16.252  3.5147  17.107  2.3321 272.992 30.948 282.577 19.609 -9.584564      36.63792 
1 1 1 1   38 4  o 594.513 14.641 75.141  3.6863 67.306  6.2678  79.285  4.5579 560.139 26.422 610.133 17.640 -49.99365      31.76964 
1 1 1 1   38 5  o 383.325 19.068 31.332  3.0954 0.0000  0.0000  31.332  3.0954 ?       ?      383.325 19.068 0.000000       19.06800 
1 1 1 1   38 6  o 240.055 20.553 12.394  2.0693 12.646  4.8023  12.337  2.2930 234.550 49.882 239.044 22.933 -4.493698      54.90067 
1 1 1 1   38 7  o 250.566 20.618 13.504  2.1684 11.374  4.9111  14.020  2.4167 220.989 53.131 254.941 22.619 -33.95168      57.74521 
1 1 1 1   38 8  o 188.929 27.561 7.8455  2.1402 8.5964  5.1055  7.6854  2.3573 192.186 57.931 186.088 31.004 6.097946       65.70528 
1 1 1 1   38 9  o 315.001 17.269 21.236  2.2949 20.740  3.3554  21.672  3.1457 309.254 25.857 316.786 23.618 -7.532593      35.02005 
1 1 1 1   38 10 o 600.086 15.291 76.765  3.8859 58.707  5.9947  89.852  5.1032 520.306 27.301 648.186 18.591 -127.8801      33.03013 
1 1 1 1   38 11 o 211.558 22.642 9.7351  1.9971 5.9612  2.8676  13.290  2.7830 160.449 41.788 246.279 27.134 -85.82910      49.82418 
1 1 1 1   38 12 o 141.533 28.649 4.5088  1.6582 4.1878  2.9898  4.6515  1.9928 137.144 44.772 142.730 33.538 -5.586334      55.94007 
1 1 1 1   38 13 o 166.576 23.024 6.0985  1.5808 5.5440  2.3103  6.5867  2.1676 155.204 35.870 170.892 31.097 -15.68800      47.47276 
1 1 1 1   38 14 f 227.696 18.798 11.207  1.7964 8.1078  2.5978  14.048  2.4869 188.903 33.709 253.769 23.405 -64.86618      41.03785 
1 1 1 1   38 15 o 146.529 26.074 4.8123  1.5587 6.9728  2.3673  3.1591  2.0709 174.660 33.220 118.416 37.120 56.24418       49.81406 
1 1 1 1   38 16 o 207.406 30.661 9.7258  2.6119 9.7258  2.6119  0.0000  0.0000 207.406 30.661 ?       ?      0.000000       30.66129 
1 1 1 1   38 17 o 219.655 20.222 10.548  1.8600 9.4873  2.7734  11.415  2.5076 202.833 33.453 226.038 26.712 -23.20499      42.80910 
1 1 1 1   38 18 o 106.099 30.613 2.5930  1.4517 3.4566  2.0214  1.6731  2.0862 121.401 36.419 96.469  36.781 24.93210       51.76079 
1 1 1 1   38 19 o 190.749 23.617 8.1117  1.8670 7.8022  2.5192  8.4888  2.7810 182.447 33.851 189.368 35.993 -6.921707      49.41029 
1 1 1 1   38 20 o 60.142  27.054 -0.5401 1.4438 -0.4295 1.7991  -0.7403 2.4198 68.699  30.602 77.423  34.907 -8.724014      46.42143 
1 1 1 1   38 21 o 240.772 26.364 13.148  2.6442 13.415  3.0878  12.416  5.1208 240.233 31.079 210.380 56.347 29.85291       64.34966 
1 1 1 1   38 22 o 252.465 21.733 14.152  2.3010 12.974  3.3225  15.237  3.1897 233.702 34.618 256.956 29.869 -23.25368      45.72285 
1 1 1 1   39 0  o 448.423 19.252 42.890  3.6559 0.0000  0.0000  42.890  3.6559 ?       ?      448.423 19.252 0.000000       19.25152 
1 1 1 1   39 1  f 224.461 27.317 10.978  2.5432 0.0000  0.0000  10.978  2.5432 ?       ?      224.461 27.317 0.000000       27.31746 
1 1 1 1   39 2  o 633.201 18.411 85.477  4.9370 0.0000  0.0000  85.477  4.9370 ?       ?      633.201 18.411 0.000000       18.41109 
1 1 1 1   39 3  o 290.004 18.945 18.014  2.3139 11.935  4.2287  20.613  2.7644 229.053 45.199 309.873 21.193 -80.82016      49.92091 
1 1 1 1   39 4  o 137.793 32.322 4.2696  1.8535 -0.8335 3.9779  5.6848  2.0948 104.581 46.097 159.393 32.143 -54.81165      56.19676 
1 1 1 1   39 5  o 163.012 36.734 6.0137  2.4751 3.0958  4.4985  7.2805  2.9642 138.869 53.737 178.914 40.112 -40.04451      67.05731 
1 1 1 1   39 6  o 383.959 14.716 31.378  2.3929 30.330  3.5608  32.241  3.2313 375.552 22.492 387.922 19.734 -12.36981      29.92235 
1 1 1 1   39 7  f 213.914 23.381 9.9373  2.0836 5.9975  4.8180  10.844  2.3108 165.831 56.883 223.212 24.869 -57.38126      62.08162 
1 1 1 1   39 8  o 162.212 22.366 5.7512  1.4956 4.5827  2.0664  7.0365  2.1673 142.003 34.665 177.850 29.831 -35.84798      45.73363 
1 1 1 1   39 9  o 287.323 18.874 17.745  2.2838 14.133  3.8468  19.712  2.8382 250.649 37.383 302.012 22.349 -51.36287      43.55468 
1 1 1 1   39 10 o 538.093 15.805 61.821  3.6015 55.196  5.8306  65.908  4.5796 503.578 27.444 554.397 19.506 -50.81955      33.66967 
1 1 1 1   39 11 o 470.930 16.387 47.416  3.2681 41.187  5.0955  51.769  4.2596 434.157 27.861 490.740 20.496 -56.58228      34.58823 
1 1 1 1   39 12 o 272.423 18.963 16.008  2.1741 12.707  3.5295  18.026  2.7598 236.644 36.384 288.023 22.813 -51.37947      42.94412 
1 1 1 1   39 13 o 135.075 27.230 4.1141  1.5038 4.5449  2.2665  3.7754  2.0100 140.000 37.483 128.164 35.705 11.83522       51.76687 
1 1 1 1   39 14 o 161.059 22.138 5.7125  1.4701 5.8166  2.0763  5.6078  2.0817 159.575 31.840 156.415 32.488 3.159973       45.48932 
1 1 1 1   39 15 o 156.478 25.193 5.4769  1.6128 7.0288  2.1507  3.4827  2.4379 176.007 29.925 123.847 40.429 52.16044       50.29862 
1 1 1 1   39 16 o 201.734 27.936 9.1659  2.3226 0.0000  0.0000  9.1659  2.3226 ?       ?      201.734 27.936 0.000000       27.93604 
1 1 1 1   39 17 o 210.941 20.253 9.7552  1.7870 5.6472  2.5529  13.702  2.5023 152.979 39.221 248.695 24.059 -95.71571      46.01202 
1 1 1 1   39 18 o 145.385 26.659 4.8239  1.5809 1.3381  2.2182  8.4219  2.2536 93.723  37.290 192.311 28.537 -98.58777      46.95672 
1 1 1 1   39 19 o 147.342 28.801 5.0404  1.7327 5.5273  2.3878  4.4988  2.5184 150.551 37.571 135.232 40.669 15.31949       55.36733 
1 1 1 1   39 20 o 155.202 30.443 5.6699  1.9294 7.0694  2.1544  -0.0001 4.3363 173.772 30.382 105.581 47.234 68.19065       56.16169 
1 1 1 1   39 21 o 205.204 24.831 9.5308  2.1139 7.3796  2.8353  12.223  3.1720 171.897 39.743 226.785 34.081 -54.88779      52.35490 
1 1 1 1   40 0  o 108.109 33.478 2.5368  1.6903 2.7994  2.7480  2.3770  2.1437 120.131 42.825 109.219 37.916 10.91260       57.19815 
1 1 1 1   40 1  o 324.899 14.803 22.465  2.0368 19.433  2.9298  25.301  2.8335 300.216 23.224 343.613 19.553 -43.39728      30.35920 
1 1 1 1   40 2  o 173.229 23.791 6.5539  1.6992 5.9467  2.2484  7.3626  2.5948 162.575 33.761 180.991 35.121 -18.41525      48.71633 
1 1 1 1   40 3  f 480.861 13.143 49.167  2.6765 42.722  3.7752  55.681  3.7952 447.019 19.942 510.890 17.541 -63.87085      26.55908 
1 1 1 1   40 4  o 228.169 18.550 11.191  1.7769 12.824  2.5638  9.6828  2.4649 242.877 25.297 209.900 28.464 32.97704       38.08057 
1 1 1 1   40 5  o 128.098 29.888 3.6953  1.5917 -1.3007 2.3143  8.1800  2.1927 74.102  33.699 192.745 27.655 -118.6432      43.59422 
1 1 1 1   40 6  o 236.173 17.753 11.982  1.7626 10.774  2.6816  12.901  2.3389 221.078 29.369 243.990 22.904 -22.91159      37.24397 
1 1 1 1   40 7  o 361.322 17.884 27.915  2.7366 19.526  5.8624  30.253  3.0944 289.756 49.555 375.305 19.537 -85.54840      53.26749 
1 1 1 1   40 8  o 458.767 14.654 44.880  2.8471 42.608  4.2317  46.760  3.8484 444.328 22.563 467.025 19.458 -22.69699      29.79423 
1 1 1 1   40 9  o 184.137 23.938 7.4395  1.8226 6.5908  2.8483  8.0278  2.3717 168.461 40.438 189.434 30.607 -20.97304      50.71467 
1 1 1 1   40 10 o 390.634 17.136 32.672  2.8348 34.090  4.5256  31.756  3.6366 394.855 27.231 382.964 22.522 11.89105       35.33802 
1 1 1 1   40 11 o 197.214 25.632 8.5833  2.0902 5.6365  3.2604  10.639  2.7234 154.845 46.208 218.305 30.273 -63.46011      55.24174 
1 1 1 1   40 12 o 338.125 16.393 24.489  2.3473 22.755  3.5969  25.774  3.0979 321.944 26.621 344.914 21.313 -22.96976      34.10161 
1 1 1 1   40 13 o 257.692 20.314 14.416  2.1989 14.742  2.9676  14.020  3.2743 257.988 27.590 249.811 31.660 8.177200       41.99504 
1 1 1 1   40 14 o 191.876 22.974 8.1175  1.8297 7.7915  2.4899  8.5001  2.6978 184.166 33.144 191.990 34.446 -7.823059      47.80230 
1 1 1 1   40 15 o 193.618 20.231 8.2170  1.6343 8.2316  2.3225  8.2026  2.3003 190.170 29.819 189.944 29.557 0.2260284      41.98569 
1 1 1 1   40 16 f 86.872  30.446 1.5543  1.3839 0.5257  1.7667  3.1878  2.2262 78.158  32.450 117.664 38.644 -39.50598      50.46172 
1 1 1 1   40 17 f 120.351 29.130 3.3705  1.4687 2.3715  2.0329  4.4613  2.1243 104.801 36.890 136.497 36.169 -31.69602      51.66357 
1 1 1 1   40 18 o 176.341 30.540 7.2269  2.1981 6.8659  2.5426  8.2951  4.3734 168.687 36.641 175.368 53.776 -6.680527      65.07240 
1 1 1 1   40 19 o 171.710 29.917 6.8898  2.0964 6.9966  2.4160  6.5644  4.2178 170.492 34.644 155.692 53.224 14.79979       63.50606 
1 1 1 1   40 20 o 83.543  30.564 1.3989  1.4109 1.7087  1.7805  0.8761  2.3132 92.011  34.215 88.599  36.987 3.412354       50.38596 
1 1 1 1   41 0  o 134.771 30.032 4.0892  1.6702 3.6689  2.7057  4.3480  2.1230 130.129 42.596 138.316 35.923 -8.186676      55.72174 
1 1 1 1   41 1  o 410.104 14.447 35.819  2.5091 31.351  3.8021  39.265  3.3395 381.131 23.673 428.615 18.398 -47.48431      29.98171 
1 1 1 1   41 2  o 436.532 14.175 40.580  2.6204 43.165  3.9139  38.480  3.5277 448.810 20.592 423.982 19.647 24.82834       28.46151 
1 1 1 1   41 3  o 361.640 15.419 27.885  2.3614 24.870  3.6455  30.065  3.0997 338.574 25.614 374.212 19.628 -35.63852      32.26981 
1 1 1 1   41 4  o 362.543 14.892 28.019  2.2864 27.380  3.2622  28.636  3.2054 356.410 21.717 364.773 20.836 -8.363159      30.09606 
1 1 1 1   41 5  o 287.489 16.567 17.711  2.0084 13.699  2.8457  21.694  2.8351 250.008 27.322 317.123 21.233 -67.11490      34.60255 
1 1 1 1   41 6  f 170.106 28.791 6.4565  2.0001 4.4649  2.5061  9.9501  3.3192 139.619 40.204 208.565 39.014 -68.94609      56.02208 
1 1 1 1   41 7  o 399.375 14.699 34.034  2.4861 34.884  3.6181  33.274  3.4219 402.095 21.324 392.917 20.637 9.178375       29.67471 
1 1 1 1   41 8  o 245.442 18.595 12.994  1.9185 10.887  2.9703  14.502  2.5130 220.179 32.862 258.095 23.240 -37.91548      40.24924 
1 1 1 1   41 9  o 317.864 16.658 21.690  2.2346 22.328  3.3364  21.171  3.0093 319.896 24.822 312.136 22.926 7.760345       33.78984 
1 1 1 1   41 10 o 276.070 19.479 16.475  2.2627 19.851  3.7836  14.596  2.8232 299.068 30.291 257.590 26.247 41.47836       40.08086 
1 1 1 1   41 11 f 352.966 18.016 26.831  2.6840 27.525  4.3134  26.393  3.4286 352.815 29.129 348.069 23.396 4.745911       37.36139 
1 1 1 1   41 12 o 101.575 31.361 2.3017  1.4845 1.7735  1.9914  2.9622  2.2271 97.682  36.213 115.958 38.679 -18.27561      52.98499 
1 1 1 1   41 13 o 231.440 21.569 11.723  2.0897 8.5399  2.8588  15.375  3.0621 191.311 36.620 262.610 27.964 -71.29922      46.07633 
1 1 1 1   41 14 o 67.778  27.662 0.4539  1.2551 -1.2853 1.9931  1.5970  1.6158 66.487  30.623 90.246  32.754 -23.75921      44.83984 
1 1 1 1   41 15 o 206.888 19.742 9.3819  1.7087 5.9950  2.4455  12.612  2.3884 158.169 37.143 238.351 23.987 -80.18280      44.21559 
1 1 1 1   41 16 o 92.237  30.294 1.8778  1.3680 2.0504  1.7627  1.6163  2.1695 98.028  34.361 96.220  37.294 1.808685       50.71053 
1 1 1 1   41 17 o 223.597 25.449 11.248  2.3669 11.364  2.7287  10.895  4.7564 222.479 29.704 200.412 54.571 22.06697       62.13137 
1 1 1 1   41 18 o 216.025 27.455 10.681  2.4550 12.020  2.8341  6.6579  4.9134 227.656 30.137 155.843 57.033 71.81383       64.50557 
1 1 1 1   41 19 o 159.646 24.413 5.8121  1.5981 5.1822  2.2796  6.4208  2.2410 144.519 37.067 163.218 33.543 -18.69916      49.99129 
1 1 1 1   41 20 o 158.863 39.768 6.3740  2.6693 0.0000  0.0000  6.3740  2.6693 ?       ?      158.863 39.768 0.000000       39.76786 
1 1 1 1   42 0  o 236.759 19.283 12.091  1.9166 11.936  3.0310  12.195  2.4741 231.680 31.726 236.294 25.108 -4.613647      40.45925 
1 1 1 1   42 1  o 400.559 14.906 34.225  2.5286 40.063  3.8594  29.835  3.3469 431.788 21.106 371.975 21.336 59.81204       30.01138 
1 1 1 1   42 2  o 205.155 22.043 9.1572  1.8851 10.379  2.8668  8.2261  2.5020 215.468 32.422 191.501 31.979 23.96660       45.53994 
1 1 1 1   42 3  o 193.614 22.536 8.1800  1.8132 5.5580  2.8386  9.9872  2.3567 154.677 42.174 213.020 26.712 -58.34282      49.92191 
1 1 1 1   42 4  o 99.761  32.599 2.1261  1.5849 1.7788  2.4859  2.3639  2.0572 104.371 40.065 107.315 37.149 -2.944084      54.63768 
1 1 1 1   42 5  o 236.217 18.599 12.039  1.8455 12.396  2.6115  11.682  2.6083 237.534 26.408 230.238 27.281 7.296555       37.96896 
1 1 1 1   42 6  o 242.413 26.436 12.919  2.6699 12.919  2.6699  0.0000  0.0000 242.413 26.436 ?       ?      0.000000       26.43557 
1 1 1 1   42 7  o 229.691 18.688 11.402  1.8020 8.0296  2.6671  14.235  2.4443 187.511 34.870 255.623 22.820 -68.11256      41.67321 
1 1 1 1   42 8  o 221.677 19.739 10.658  1.8336 10.551  2.8476  10.733  2.3966 216.509 32.023 220.528 26.173 -4.018890      41.35843 
1 1 1 1   42 9  o 289.862 17.596 18.101  2.1497 18.942  3.2362  17.437  2.8759 293.508 26.315 282.293 24.293 11.21469       35.81405 
1 1 1 1   42 10 o 507.471 19.668 55.528  4.2268 56.045  5.8796  54.975  6.0806 504.775 27.609 499.038 28.895 5.737183       39.96507 
1 1 1 1   42 11 o 451.040 20.013 43.963  3.8227 49.364  5.1109  37.106  5.7590 474.335 25.537 405.696 33.829 68.63882       42.38533 
1 1 1 1   42 12 o 224.063 18.702 10.914  1.7584 11.709  2.6875  10.319  2.3251 228.428 28.394 215.231 26.039 13.19754       38.52563 
1 1 1 1   42 13 o 194.919 20.943 8.3590  1.7016 7.3817  2.5654  9.1267  2.2738 177.098 35.443 201.217 27.396 -24.11908      44.79638 
1 1 1 1   42 14 o 75.802  27.868 1.0709  1.1751 -0.8145 1.8428  2.3628  1.5254 66.699  30.231 101.800 31.850 -35.10039      43.91286 
1 1 1 1   42 15 o 174.533 30.434 7.0485  2.1677 5.5543  2.5857  10.581  3.9761 150.577 39.907 204.395 46.926 -53.81862      61.60018 
1 1 1 1   42 16 o 131.392 36.342 4.1783  2.0902 4.1783  2.0902  0.0000  0.0000 131.392 36.342 ?       ?      0.000000       36.34155 
1 1 1 1   42 17 o 248.896 28.590 14.229  2.9588 14.229  2.9588  0.0000  0.0000 248.896 28.590 ?       ?      0.000000       28.59009 
1 1 1 1   42 18 o 333.849 25.449 25.220  3.5709 0.0000  0.0000  25.220  3.5709 ?       ?      333.849 25.449 0.000000       25.44860 
1 1 1 1   42 19 o 103.552 33.415 2.5299  1.6681 0.0000  0.0000  2.5299  1.6681 ?       ?      103.552 33.415 0.000000       33.41461 
1 1 1 1   43 0  o 77.817  31.372 0.6623  1.5917 -2.0695 2.5754  2.3507  2.0247 73.576  34.208 106.651 36.858 -33.07520      50.28592 
1 1 1 1   43 1  o 328.158 15.845 23.025  2.2021 20.821  3.4324  24.567  2.8707 308.336 26.545 337.378 20.185 -29.04257      33.34772 
1 1 1 1   43 2  o 165.025 25.788 6.0468  1.7433 4.9369  2.8110  6.7404  2.2222 145.740 42.757 172.645 31.557 -26.90463      53.14176 
1 1 1 1   43 3  o 184.231 22.108 7.4262  1.6904 7.9580  2.6194  7.0467  2.2129 186.899 34.360 176.847 30.659 10.05217       46.04964 
1 1 1 1   43 4  o 144.095 29.709 4.7100  1.7527 8.8155  2.7949  2.0489  2.2501 196.643 34.837 104.520 38.543 92.12263       51.95346 
1 1 1 1   43 5  o 296.518 16.807 18.900  2.1018 14.205  2.8931  24.147  3.0585 253.656 27.366 333.668 21.764 -80.01126      34.96536 
1 1 1 1   43 6  o 186.636 27.493 7.7666  2.1079 5.8232  2.6337  11.230  3.5161 157.533 39.539 220.295 39.122 -62.76192      55.62273 
1 1 1 1   43 7  o 292.386 16.589 18.387  2.0456 16.328  3.0486  20.073  2.7588 272.063 26.808 303.948 21.573 -31.88513      34.41035 
1 1 1 1   43 8  o 144.861 31.174 4.8096  1.8558 5.1852  2.4299  4.2838  2.8748 148.606 38.352 136.306 43.854 12.29987       58.25886 
1 1 1 1   43 9  o 51.740  25.027 -2.5938 1.6754 -2.1178 2.4601  -3.0055 2.2881 70.656  33.043 62.622  30.024 8.033337       44.64629 
1 1 1 1   43 10 o 276.940 23.667 16.847  2.7491 15.376  3.7789  18.500  4.0066 258.864 35.398 285.180 33.835 -26.31607      48.96800 
1 1 1 1   43 11 o 153.329 30.585 5.4197  1.9163 4.0237  3.5528  5.9925  2.2758 134.109 48.586 159.833 34.623 -25.72406      59.66029 
1 1 1 1   43 12 f 101.858 28.448 2.3881  1.2743 7.3280  1.8830  -1.7857 1.7309 180.639 25.310 57.399  27.114 123.2402       37.09152 
1 1 1 1   43 13 o 106.121 29.427 2.6161  1.3686 1.7283  2.0200  3.3695  1.8609 95.897  36.281 119.340 34.725 -23.44289      50.22072 
1 1 1 1   43 14 o 142.356 32.867 4.8035  1.9414 4.4460  2.2129  5.9979  4.0449 135.495 37.359 152.799 52.122 -17.30429      64.12811 
1 1 1 1   43 15 o 97.615  36.133 1.9317  1.9812 2.5591  2.2804  0.0004  4.0010 108.137 38.963 102.996 45.771 5.140778       60.10933 
1 1 1 1   43 16 o 241.567 20.627 12.925  2.0900 9.1522  2.6998  18.566  3.3015 195.850 33.771 285.095 27.695 -89.24428      43.67469 
1 1 1 1   43 17 o 202.488 29.829 9.6025  2.4813 0.0000  0.0000  9.6025  2.4813 ?       ?      202.488 29.829 0.000000       29.82924 
1 1 1 1   43 18 o 113.176 37.215 3.1081  2.0644 0.0000  0.0000  3.1081  2.0644 ?       ?      113.176 37.215 0.000000       37.21489 
1 1 1 1   44 0  o 531.004 16.163 60.397  3.6347 61.497  4.5610  58.484  6.0165 534.115 20.164 516.216 27.622 17.89850       34.19869 
1 1 1 1   44 1  o 109.201 32.109 2.6954  1.5837 0.5403  2.6551  3.8856  1.9731 93.552  39.377 129.711 35.076 -36.15957      52.73402 
1 1 1 1   44 2  f 234.740 19.448 11.943  1.9159 11.451  3.0174  12.276  2.4800 225.243 32.579 236.209 25.181 -10.96585      41.17615 
1 1 1 1   44 3  o 148.198 27.680 4.9536  1.6733 8.3374  2.6734  2.7740  2.1456 190.862 34.338 113.056 37.965 77.80619       51.19017 
1 1 1 1   44 4  o 131.033 31.043 3.9417  1.6962 6.8825  2.7090  2.0454  2.1754 171.522 38.267 103.325 37.928 68.19666       53.87899 
1 1 1 1   44 5  o 121.001 30.451 3.3591  1.5592 1.9664  2.2818  4.5790  2.1355 103.347 38.674 140.188 35.833 -36.84078      52.72273 
1 1 1 1   44 6  o 272.807 49.104 17.986  5.4644 17.986  5.4644  0.0000  0.0000 272.807 49.104 ?       ?      0.000000       49.10408 
1 1 1 1   44 7  o 270.656 19.867 15.906  2.2612 13.930  2.8546  19.234  3.7047 250.390 27.366 293.212 30.270 -42.82143      40.80712 
1 1 1 1   44 8  o 71.508  32.439 -0.9951 2.1275 -0.9951 2.1275  0.0000  0.0000 71.508  32.439 ?       ?      0.000000       32.43876 
1 1 1 1   44 9  f 172.583 27.001 6.7139  1.9087 8.1830  3.1422  5.8549  2.4028 184.461 41.257 157.291 36.737 27.17001       55.24286 
1 1 1 1   44 10 o 195.307 23.480 8.4735  1.9031 8.1098  3.2973  8.6552  2.3305 181.658 43.446 195.074 29.100 -13.41695      52.29131 
1 1 1 1   44 11 f 243.563 24.875 13.234  2.5298 7.7676  3.5244  19.043  3.6334 175.091 46.679 289.407 30.086 -114.3153      55.53474 
1 1 1 1   44 12 o 219.900 25.756 10.877  2.3531 11.660  2.8962  9.3556  4.0363 224.798 31.269 189.622 49.671 35.17586       58.69337 
1 1 1 1   44 13 o 170.232 27.413 6.6326  1.9092 7.1810  2.3304  5.5132  3.3293 174.695 32.701 147.342 47.172 27.35266       57.39836 
1 1 1 1   44 14 o 144.786 26.137 4.8151  1.5436 3.9976  2.3864  5.4032  2.0241 127.798 39.813 150.638 32.669 -22.83961      51.50111 
1 1 1 1   44 15 o 119.011 38.410 3.4499  2.2040 0.0000  0.0000  3.4499  2.2040 ?       ?      119.011 38.410 0.000000       38.40989 
1 1 1 1   44 16 o 172.723 38.666 7.4993  2.7578 0.0000  0.0000  7.4993  2.7578 ?       ?      172.723 38.666 0.000000       38.66562 
1 1 1 1   44 17 o 142.701 26.607 4.7561  1.5488 1.8377  2.2155  7.5453  2.1659 96.922  37.654 178.802 29.642 -81.87982      47.92141 
1 1 1 1   45 0  o 374.224 14.845 29.980  2.3527 26.270  3.6482  32.621  3.0783 346.026 25.066 389.127 18.680 -43.10126      31.26064 
1 1 1 1   45 1  o 222.746 20.371 10.808  1.9004 12.342  2.9358  9.7010  2.4932 234.438 30.277 207.926 29.112 26.51218       42.00275 
1 1 1 1   45 2  o 147.200 28.591 4.9225  1.7181 8.1743  2.7616  2.8692  2.1944 187.776 36.038 114.326 38.394 73.44947       52.65812 
1 1 1 1   45 3  o 297.698 16.590 19.087  2.0833 19.618  3.2485  18.717  2.7151 298.244 25.979 292.907 22.050 5.336639       34.07547 
1 1 1 1   45 4  o 190.169 25.745 8.0510  2.0201 10.566  2.7418  5.0649  2.9876 216.223 30.815 145.809 44.396 70.41399       54.04226 
1 1 1 1   45 5  o 148.605 30.333 5.0660  1.8444 1.3793  2.4650  9.7547  2.7799 98.311  39.249 206.553 32.883 -108.2415      51.20277 
1 1 1 1   45 6  o 125.613 38.840 3.6719  2.2760 -0.2438 4.6435  4.9100  2.6111 111.555 49.455 143.343 40.966 -31.78860      64.21817 
1 1 1 1   45 7  o 336.845 16.746 24.432  2.3888 21.147  3.8216  26.540  3.0604 306.694 29.800 348.927 20.805 -42.23285      36.34410 
1 1 1 1   45 8  o 143.737 46.449 5.0351  3.2223 0.0000  0.0000  5.0351  3.2223 ?       ?      143.737 46.449 0.000000       46.44862 
1 1 1 1   45 9  o 239.726 26.166 12.888  2.6133 9.2865  3.6265  16.777  3.7692 192.708 45.216 269.173 33.811 -76.46501      56.45938 
1 1 1 1   45 10 o 150.849 35.654 5.4660  2.2417 10.159  3.3060  1.4713  3.0500 204.685 39.571 103.990 42.859 100.6942       58.33252 
1 1 1 1   45 11 f 257.444 24.077 14.789  2.5945 17.304  3.6052  12.087  3.7366 273.775 31.680 222.035 41.258 51.73996       52.01764 
1 1 1 1   45 12 o 201.017 21.170 8.9590  1.7751 9.8320  2.8547  8.4087  2.2665 203.791 34.296 191.088 28.912 12.70335       44.85639 
1 1 1 1   45 13 o 292.113 22.768 18.997  2.7944 0.0000  0.0000  18.997  2.7944 ?       ?      292.113 22.768 0.000000       22.76826 
1 1 1 1   45 14 o 324.669 23.272 23.613  3.1785 0.0000  0.0000  23.613  3.1785 ?       ?      324.669 23.272 0.000000       23.27190 
1 1 1 1   45 15 o 235.214 20.388 12.314  2.0108 9.9341  3.1213  14.002  2.6291 199.376 38.360 247.705 25.423 -48.32935      46.01994 
1 1 1 1   45 16 o 63.846  27.913 -0.0703 1.4323 -0.3608 1.9837  0.2460  2.0701 71.635  32.005 78.324  33.907 -6.689133      46.62580 
1 1 1 1   45 17 o 97.384  30.864 2.2372  1.4280 4.6406  2.3002  0.7300  1.8215 134.908 38.413 79.430  32.962 55.47821       50.61652 
1 1 1 1   46 0  o 83.134  35.946 0.0303  2.3212 0.0303  2.3212  0.0000  0.0000 83.134  35.946 ?       ?      0.000000       35.94646 
1 1 1 1   46 1  o 84.752  37.445 -0.4068 2.6400 -0.4068 2.6400  0.0000  0.0000 84.752  37.445 ?       ?      0.000000       37.44453 
1 1 1 1   46 2  f 211.230 33.129 10.240  2.8661 10.240  2.8661  0.0000  0.0000 211.230 33.129 ?       ?      0.000000       33.12943 
1 1 1 1   46 3  o 190.514 37.662 8.5598  2.9309 8.5598  2.9309  0.0000  0.0000 190.514 37.662 ?       ?      0.000000       37.66223 
1 1 1 1   46 4  o 153.133 32.670 5.4620  2.0540 3.8702  2.6708  7.7667  3.2137 128.846 42.328 178.491 43.020 -49.64532      60.35213 
1 1 1 1   46 5  o 127.180 38.312 3.8265  2.2336 2.5357  3.1854  5.0749  3.1327 116.375 45.167 144.336 45.711 -27.96081      64.26137 
1 1 1 1   46 6  o 203.791 43.582 10.206  3.6474 0.0000  0.0000  10.206  3.6474 ?       ?      203.791 43.582 0.000000       43.58167 
1 1 1 1   46 7  o 122.344 35.648 3.5572  1.9599 4.9085  2.5437  1.5832  3.0745 141.685 40.414 105.556 43.211 36.12868       59.16500 
1 1 1 1   46 8  f 265.605 20.668 15.514  2.3064 12.714  2.8539  20.788  3.9162 235.965 29.181 300.967 31.178 -65.00204      42.70361 
1 1 1 1   46 9  o 259.662 18.162 14.724  1.9846 8.8605  2.8454  20.279  2.7695 192.242 36.281 303.030 21.725 -110.7880      42.28794 
1 1 1 1   46 10 o 267.228 24.769 16.009  2.7712 0.0000  0.0000  16.009  2.7712 ?       ?      267.228 24.769 0.000000       24.76868 
1 1 1 1   46 11 o 276.607 24.959 17.194  2.8922 0.0000  0.0000  17.194  2.8922 ?       ?      276.607 24.959 0.000000       24.95875 
1 1 1 1   46 12 o 274.619 23.538 16.901  2.7110 0.0000  0.0000  16.901  2.7110 ?       ?      274.619 23.538 0.000000       23.53836 
1 1 1 1   46 13 o 146.656 25.539 4.9723  1.5285 8.0958  2.5854  3.2940  1.8952 182.381 34.742 116.029 35.367 66.35166       49.57682 
1 1 1 1   46 14 f 78.534  29.020 1.2239  1.2768 2.7093  1.8988  -0.0022 1.7252 106.379 35.714 70.221  30.669 36.15752       47.07574 
1 1 1 1   46 15 o 50.259  23.422 -0.9634 1.2188 -3.8793 1.8171  1.4215  1.6433 47.942  23.760 85.586  32.641 -37.64436      40.37299 
1 1 1 1   46 16 o 78.937  30.598 1.1086  1.4605 2.5503  2.0110  -0.5005 2.1245 104.162 36.688 72.756  32.764 31.40598       49.18858 
1 1 1 1   47 0  o 127.179 40.206 3.8350  2.4245 6.1031  3.7507  2.2070  3.1776 155.644 50.093 112.780 44.707 42.86449       67.14191 
1 1 1 1   47 1  o 186.512 25.923 7.8288  1.9922 3.2758  4.1959  9.1539  2.2637 129.638 51.379 201.326 27.250 -71.68840      58.15824 
1 1 1 1   47 2  o 73.136  31.472 0.0751  1.7621 -6.3465 3.6327  2.0508  2.0150 71.334  35.012 100.307 36.552 -28.97361      50.61512 
1 1 1 1   47 3  o 208.586 24.974 9.7402  2.1622 0.0000  0.0000  9.7402  2.1622 ?       ?      208.586 24.974 0.000000       24.97364 
1 1 1 1   47 4  f 165.171 33.186 6.4266  2.2407 0.0000  0.0000  6.4266  2.2407 ?       ?      165.171 33.186 0.000000       33.18584 
1 1 1 1   47 5  o 158.476 35.298 6.0169  2.3082 0.0000  0.0000  6.0169  2.3082 ?       ?      158.476 35.298 0.000000       35.29751 
1 1 1 1   47 6  o 142.253 33.678 4.8394  1.9974 3.9644  4.8442  5.0186  2.1925 136.190 54.791 143.936 36.047 -7.746124      65.58503 
1 1 1 1   47 7  o 302.029 20.912 20.109  2.6583 24.879  6.3318  19.088  2.9289 310.305 49.872 292.508 23.852 17.79715       55.28253 
1 1 1 1   47 8  o 194.171 26.276 8.5789  2.1051 1.2279  4.8883  10.253  2.3325 117.733 51.518 212.390 26.510 -94.65719      57.93838 
1 1 1 1   47 9  o 157.457 33.411 5.9375  2.1589 8.5011  5.4779  5.4661  2.3490 171.233 60.526 149.054 37.303 22.17874       71.09798 
1 1 1 1   47 10 o 200.958 31.578 9.4998  2.5988 0.0000  0.0000  9.4998  2.5988 ?       ?      200.958 31.578 0.000000       31.57830 
1 1 1 1   47 11 o 97.476  33.679 2.1472  1.6905 -0.1612 2.6895  3.6548  2.1735 84.618  37.569 121.569 38.016 -36.95123      53.44751 
1 1 1 1   47 12 o 205.003 20.965 9.4069  1.7945 7.6244  2.8167  10.625  2.3281 173.138 39.313 214.932 26.114 -41.79395      47.19589 
1 1 1 1   47 13 o 111.380 30.845 3.0148  1.5047 2.8645  2.6066  3.0899  1.8428 110.727 41.354 111.955 35.004 -1.228363      54.17974 
1 1 1 1   47 14 o 83.886  30.542 1.4818  1.4064 0.6887  2.3896  1.9022  1.7397 86.315  36.883 93.116  33.958 -6.800858      50.13473 
1 1 1 1   47 15 o 297.440 18.550 19.569  2.3250 15.015  3.4412  23.393  3.1536 248.791 33.514 321.413 23.328 -72.62166      40.83306 
1 1 1 1   48 0  o 232.676 26.521 12.248  2.5666 0.0000  0.0000  12.248  2.5666 ?       ?      232.676 26.521 0.000000       26.52108 
1 1 1 1   48 1  o 68.155  30.742 -0.6764 1.8791 0.0000  0.0000  -0.6764 1.8791 ?       ?      68.155  30.742 0.000000       30.74157 
1 1 1 1   48 2  o 239.060 24.782 12.833  2.4725 0.0000  0.0000  12.833  2.4725 ?       ?      239.060 24.782 0.000000       24.78232 
1 1 1 1   48 3  o 111.300 33.701 2.9327  1.7250 1.9866  4.2563  3.1187  1.8869 117.755 49.725 114.481 35.360 3.274048       61.01574 
1 1 1 1   48 4  o 332.241 18.772 24.156  2.6305 23.118  5.6170  24.448  2.9771 303.154 45.128 332.751 21.238 -29.59631      49.87534 
1 1 1 1   48 5  o 93.396  39.976 0.6526  2.8158 2.0050  4.9357  0.0000  3.4284 122.251 52.639 96.033  42.538 26.21851       67.67827 
1 1 1 1   48 6  o 216.111 25.909 10.603  2.3240 19.757  5.9336  8.9444  2.5257 270.404 53.709 195.122 31.650 75.28244       62.34105 
1 1 1 1   48 7  f 216.599 20.052 10.377  1.8184 13.328  2.6689  7.8198  2.4843 242.083 26.464 180.873 33.673 61.21040       42.82743 
1 1 1 1   48 8  o 101.672 31.061 2.4296  1.4606 1.9990  2.1450  2.8019  1.9944 99.081  37.410 109.126 36.603 -10.04515      52.33847 
1 1 1 1   48 9  o 119.661 31.287 3.4485  1.6033 1.9095  2.3130  4.8720  2.2246 99.092  38.480 139.783 37.000 -40.69090      53.38260 
1 1 1 1   48 10 o 180.349 23.684 7.4051  1.7651 7.2315  2.5479  7.5652  2.4477 170.607 36.376 176.186 34.037 -5.579483      49.81656 
1 1 1 1   48 11 o 278.041 19.306 17.148  2.2591 15.539  3.4515  18.354  2.9882 254.149 32.836 283.311 25.168 -29.16185      41.37149 
1 1 1 1   48 12 o 71.533  30.063 0.4574  1.5438 3.0563  2.3852  -1.4160 2.0251 111.756 39.893 64.336  30.052 47.42061       49.94564 
1 1 1 1   48 13 o 79.445  30.384 1.1942  1.4264 2.0653  2.6112  0.8237  1.7029 101.378 40.420 78.243  32.110 23.13515       51.62179 
1 1 1 1   48 14 o 178.583 24.677 7.3642  1.8164 6.1369  2.9590  8.1063  2.3009 150.134 43.818 183.602 30.675 -33.46880      53.48798 
1 1 1 1   49 0  o 309.798 17.085 20.928  2.2328 17.902  3.4347  23.143  2.9384 278.550 29.569 323.077 21.601 -44.52698      36.61860 
1 1 1 1   49 1  f 107.168 31.607 2.7231  1.5325 0.5663  2.4672  4.0780  1.9555 87.884  37.513 129.333 34.896 -41.44926      51.23425 
1 1 1 1   49 2  o 178.633 23.936 7.2199  1.7652 6.0361  2.8670  7.9426  2.2402 153.489 42.601 184.516 29.674 -31.02670      51.91739 
1 1 1 1   49 3  o 87.873  31.726 1.6037  1.5130 3.8007  2.4110  0.1766  1.9432 124.191 40.183 76.399  32.962 47.79191       51.97298 
1 1 1 1   49 4  o 152.322 26.927 5.3738  1.6734 6.8278  2.8356  4.5968  2.0729 164.082 40.941 136.866 35.472 27.21574       54.17002 
1 1 1 1   49 5  o 111.489 37.245 2.9575  2.0649 1.4945  2.7916  4.7250  3.0685 99.710  41.038 135.648 45.402 -35.93806      61.20027 
1 1 1 1   49 6  o 86.563  32.023 1.5072  1.5556 1.3411  2.5658  1.6037  1.9562 95.700  39.360 92.066  35.489 3.633827       52.99735 
1 1 1 1   49 7  o 141.161 27.593 4.6774  1.5904 2.7039  2.3584  6.3234  2.1538 108.648 39.551 161.933 32.536 -53.28489      51.21375 
1 1 1 1   49 8  o 165.783 23.948 6.2893  1.6326 4.8198  2.3620  7.6334  2.2590 137.260 38.872 178.811 30.952 -41.55093      49.68948 
1 1 1 1   49 9  o 81.384  30.875 1.2772  1.4654 3.0348  2.1443  -0.2629 2.0073 111.208 37.951 72.581  32.327 38.62765       49.85291 
1 1 1 1   49 10 o 181.237 23.995 7.5491  1.7964 3.8048  2.6916  10.557  2.4122 121.347 42.465 212.323 27.472 -90.97597      50.57626 
1 1 1 1   49 11 o 109.641 33.202 2.9786  1.6743 3.7260  2.4606  2.3343  2.2847 119.993 40.654 101.887 38.576 18.10616       56.04311 
1 1 1 1   49 12 o 61.184  27.601 -0.4750 1.5155 1.0278  2.1196  -2.0467 2.1677 85.691  35.558 62.965  29.919 22.72551       46.47103 
1 1 1 1   50 0  o 221.678 21.788 10.997  2.0190 11.374  3.1864  10.744  2.6097 216.041 36.101 214.475 29.514 1.566055       46.63010 
1 1 1 1   50 1  o 112.775 31.054 3.0582  1.5302 2.6996  2.4719  3.2810  1.9483 109.337 40.383 115.860 35.954 -6.523262      54.06934 
1 1 1 1   50 2  o 83.612  32.059 1.2888  1.5905 2.0033  2.6589  0.8906  1.9848 102.852 40.856 83.859  34.569 18.99339       53.51871 
1 1 1 1   50 3  o 144.864 27.693 4.9259  1.6370 10.564  2.8050  2.0136  2.0159 210.319 32.544 97.562  36.382 112.7578       48.81322 
1 1 1 1   50 4  o 199.397 21.827 8.9383  1.8131 8.1330  3.1499  9.3373  2.2172 176.592 42.608 201.067 26.699 -24.47403      50.28222 
1 1 1 1   50 5  o 92.923  36.219 1.6518  2.0550 4.4874  2.7170  -2.1390 3.1415 131.225 42.672 78.434  36.890 52.79031       56.40731 
1 1 1 1   50 6  o 59.860  27.281 -0.6862 1.5269 -1.2303 2.6731  -0.4227 1.8603 76.390  35.283 68.699  30.821 7.690315       46.84924 
1 1 1 1   50 7  o 155.725 25.995 5.6698  1.6539 3.8587  2.4663  7.1498  2.2294 122.223 40.700 171.517 31.866 -49.29456      51.69115 
1 1 1 1   50 8  o 73.176  30.330 0.6193  1.5396 -1.6181 2.3533  2.2936  2.0357 68.623  32.164 99.933  36.690 -31.31004      48.79221 
1 1 1 1   50 9  o 147.616 27.228 5.1787  1.6394 0.9046  2.4351  8.7220  2.2171 88.028  37.414 191.836 28.126 -103.8079      46.80684 
1 1 1 1   50 10 o 79.571  31.233 1.1339  1.5367 1.6599  2.1003  0.5280  2.2542 92.137  36.403 82.340  35.514 9.796837       50.85683 
1 1 1 1   50 11 o 194.870 23.715 8.7423  1.9167 9.0168  2.9656  8.5453  2.5119 186.272 38.851 185.986 33.105 0.2856140      51.04284 
1 1 1 1   51 0  o 85.573  32.616 1.4369  1.6402 -0.1094 2.8102  2.2357  2.0199 85.398  38.128 99.622  36.551 -14.22436      52.81754 
1 1 1 1   51 1  o 152.324 28.326 5.5108  1.7600 5.5546  2.8828  5.4848  2.2222 143.550 43.589 147.399 35.926 -3.849335      56.48630 
1 1 1 1   51 2  o 142.325 31.651 4.9554  1.8583 5.1483  2.9715  4.8315  2.3815 137.745 44.614 136.268 39.179 1.476303       59.37495 
1 1 1 1   51 3  o 144.434 27.956 4.9680  1.6482 4.7187  2.9403  5.0823  1.9903 132.205 44.442 142.919 33.472 -10.71483      55.63720 
1 1 1 1   51 4  o 231.910 19.567 12.014  1.9037 7.2519  3.1649  14.713  2.3831 162.292 44.649 254.874 22.303 -92.58159      49.90931 
1 1 1 1   51 5  o 99.134  46.475 -1.4080 4.9175 -1.4080 4.9175  0.0000  0.0000 99.134  46.475 ?       ?      0.000000       46.47462 
1 1 1 1   51 6  o 81.836  31.763 1.2660  1.5753 0.7980  2.7120  1.5043  1.9353 90.002  38.886 88.712  34.977 1.290527       52.30203 
1 1 1 1   51 7  o 72.918  30.426 0.5912  1.5641 -1.3365 2.5224  1.7956  1.9937 72.564  33.776 92.663  35.797 -20.09830      49.21687 
1 1 1 1   51 8  o 99.849  31.984 2.4399  1.5304 0.7077  2.2593  3.9087  2.0804 83.736  35.824 122.547 36.989 -38.81084      51.49295 
1 1 1 1   51 9  o 58.637  26.945 -0.7817 1.5312 1.2761  2.2443  -2.5736 2.0943 88.991  36.730 58.595  28.254 30.39537       46.34028 
1 1 1 1   52 0  o 63.775  28.570 -0.3322 1.5921 -1.2441 2.5617  0.2417  2.0323 73.616  34.190 76.464  33.345 -2.848724      47.75805 
1 1 1 1   52 1  o 162.865 26.144 6.2573  1.7422 3.8486  2.9079  7.6058  2.1759 120.293 43.898 177.108 30.087 -56.81524      53.21914 
1 1 1 1   52 2  f 129.172 30.299 4.1153  1.6288 2.8166  2.7253  4.8369  2.0316 108.464 41.867 137.419 34.856 -28.95477      54.47752 
1 1 1 1   52 3  o 146.686 26.326 5.1105  1.5753 2.9700  2.7586  6.1462  1.9189 110.095 42.219 159.061 29.576 -48.96580      51.54765 
1 1 1 1   52 4  o 96.520  32.833 2.2462  1.6050 3.4479  2.8196  1.6703  1.9521 115.339 43.024 90.437  35.286 24.90249       55.64293 
1 1 1 1   52 5  o 130.580 42.932 4.7274  2.7474 -1.4651 5.1258  7.2236  3.2544 98.989  46.730 158.430 45.871 -59.44061      65.48174 
1 1 1 1   52 6  o 177.519 27.452 7.5140  1.9972 9.9684  3.3551  6.1670  2.4855 191.085 42.553 152.375 38.502 38.71011       57.38580 
1 1 1 1   52 7  o 203.678 23.189 9.5615  1.9645 11.503  3.1518  8.3280  2.5123 212.095 36.401 182.034 33.834 30.06084       49.69701 
1 1 1 1   52 8  o 95.279  33.805 2.1501  1.7103 3.1661  2.2286  0.6942  2.6678 110.995 38.651 87.965  38.285 23.03020       54.40321 
1 1 1 1   53 0  o 63.936  28.756 -0.3568 1.6306 -4.6240 2.8281  1.7681  1.9957 62.010  30.526 91.495  35.684 -29.48523      46.95916 
1 1 1 1   53 1  o 105.696 34.438 2.8337  1.7693 5.9913  2.8001  0.7351  2.2828 145.945 42.633 83.568  35.888 62.37681       55.72729 
1 1 1 1   53 2  o 93.347  33.210 2.0627  1.6517 1.4779  2.6729  2.4239  2.1008 94.110  39.555 100.372 37.197 -6.262383      54.29749 
1 1 1 1   53 3  o 103.405 32.532 2.6837  1.5890 3.5057  2.9613  2.3513  1.8830 115.231 43.848 98.536  35.416 16.69484       56.36447 
1 1 1 1   53 4  o 173.078 24.886 7.0365  1.7716 4.7534  3.1659  8.0774  2.1376 128.556 45.952 182.962 28.518 -54.40657      54.08217 
1 1 1 1   53 5  o 118.964 41.688 3.8374  2.5944 2.1584  5.3286  4.3591  2.9702 114.607 51.724 124.595 44.512 -9.988579      68.24015 
1 1 1 1   54 0  o 55.717  27.053 -2.7399 2.0059 -0.0347 2.7857  -5.6527 2.8907 83.150  37.475 59.473  29.559 23.67711       47.72929 
1 1 1 2   0  0  o 176.607 21.968 6.9194  1.5745 6.4469  2.2278  7.3910  2.2255 162.918 37.043 178.126 32.773 0.000000       0.000000 
1 1 1 2   0  1  o 170.793 22.244 6.4978  1.5334 6.8397  2.1676  6.1552  2.1696 170.172 33.874 158.637 37.160 0.000000       0.000000 
1 1 1 2   0  2  o 155.079 22.974 5.4285  1.4115 5.4357  1.9859  5.4212  2.0065 148.115 36.572 147.544 37.128 0.000000       0.000000 
1 1 1 2   0  3  o 1513.42 38.459 489.411 24.613 0.0000  0.0000  489.411 24.613 1513.42 38.459 1513.42 38.459 0.000000       0.000000 
1 1 1 2   0  4  o 163.094 37.260 6.4677  2.2421 6.4677  2.2421  0.0000  0.0000 163.094 37.260 163.094 37.260 0.000000       0.000000 
1 1 1 2   0  5  o 1014.46 23.711 218.855 10.174 221.168 14.381  216.538 14.395 1017.65 33.452 1006.80 33.848 0.000000       0.000000 
1 1 1 2   0  6  o 249.197 21.950 13.483  2.2751 10.860  3.2104  16.129  3.2246 216.175 38.782 270.936 28.936 0.000000       0.000000 
1 1 1 2   0  7  o 1144.65 24.606 278.712 11.915 272.879 16.816  284.593 16.886 1129.86 35.222 1154.10 34.620 0.000000       0.000000 
1 1 1 2   0  8  o 292.431 21.841 18.459  2.6701 19.839  3.7639  17.061  3.7884 300.843 30.244 277.071 33.602 0.000000       0.000000 
1 1 1 2   0  9  o 283.197 22.174 17.349  2.6219 15.838  3.6787  18.908  3.7378 266.162 34.183 293.130 30.895 0.000000       0.000000 
1 1 1 2   0  10 o 657.289 31.905 92.889  8.8332 0.0000  0.0000  92.889  8.8332 657.289 31.905 657.289 31.905 0.000000       0.000000 
1 1 1 2   0  11 o 210.041 23.511 9.7295  2.0241 9.5006  2.8528  9.9615  2.8723 201.411 37.176 207.253 35.973 0.000000       0.000000 
1 1 1 2   0  12 o 761.161 32.127 124.307 10.314 124.307 10.314  0.0000  0.0000 761.161 32.127 761.161 32.127 0.000000       0.000000 
1 1 1 2   0  13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   0  14 o 133.132 32.097 4.3599  1.5690 2.9908  2.2093  5.7532  2.2286 97.672  46.616 150.568 40.444 0.000000       0.000000 
1 1 1 2   0  15 o 384.879 22.311 31.737  3.6085 28.689  5.0226  34.990  5.1879 362.866 33.331 402.316 30.867 0.000000       0.000000 
1 1 1 2   0  16 o 770.279 23.086 126.189 7.5154 122.051 10.456  130.612 10.809 755.780 32.810 781.986 32.771 0.000000       0.000000 
1 1 1 2   0  17 o 111.171 37.260 3.3781  1.5655 3.4638  2.1556  3.2824  2.2775 106.714 46.225 102.790 47.484 0.000000       0.000000 
1 1 1 2   0  18 o 551.552 32.767 65.346  7.5917 0.0000  0.0000  65.346  7.5917 551.552 32.767 551.552 32.767 0.000000       0.000000 
1 1 1 2   0  19 o 687.713 32.194 101.237 9.3292 101.237 9.3292  0.0000  0.0000 687.713 32.194 687.713 32.194 0.000000       0.000000 
1 1 1 2   0  20 o 482.783 22.939 49.807  4.6659 50.990  6.4961  48.547  6.7060 486.494 31.844 474.012 33.801 0.000000       0.000000 
1 1 1 2   0  21 o 1280.43 26.270 348.778 14.231 358.137 19.854  338.888 20.409 1294.80 36.273 1258.78 38.365 0.000000       0.000000 
1 1 1 2   0  22 o 387.425 23.476 32.228  3.8194 37.427  5.3354  26.763  5.4699 416.006 30.668 348.023 38.296 0.000000       0.000000 
1 1 1 2   0  23 o 742.600 23.714 117.593 7.4404 117.319 10.324  117.889 10.733 739.266 33.127 740.683 34.386 0.000000       0.000000 
1 1 1 2   0  24 o 519.637 23.222 57.793  5.0871 53.557  6.9977  62.542  7.4084 497.092 33.593 537.948 32.799 0.000000       0.000000 
1 1 1 2   0  25 o 705.569 34.279 107.464 10.187 0.0000  0.0000  107.464 10.187 705.569 34.279 705.569 34.279 0.000000       0.000000 
1 1 1 2   0  26 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   0  27 o 84.679  48.976 2.0107  2.8510 0.0000  0.0000  2.0107  2.8510 84.679  48.976 84.679  48.976 0.000000       0.000000 
1 1 1 2   0  28 o 296.042 41.414 20.134  4.9011 0.0000  0.0000  20.134  4.9011 296.042 41.414 296.042 41.414 0.000000       0.000000 
1 1 1 2   0  29 o 194.483 54.384 10.061  3.8759 0.0000  0.0000  10.061  3.8759 194.483 54.384 194.483 54.384 0.000000       0.000000 
1 1 1 2   0  30 o 266.643 42.436 16.725  4.4283 0.0000  0.0000  16.725  4.4283 266.643 42.436 266.643 42.436 0.000000       0.000000 
1 1 1 2   1  0  o 420.785 14.567 37.570  2.5958 37.824  3.6651  37.314  3.6770 421.774 20.519 418.901 20.727 2.872711       29.16580 
1 1 1 2   1  1  o 312.070 14.505 20.664  1.9170 21.757  2.7095  19.569  2.7127 319.283 20.142 302.588 21.305 16.69568       29.31872 
1 1 1 2   1  2  o 190.451 14.845 7.7433  1.1879 7.8388  1.6794  7.6476  1.6804 190.836 21.135 188.421 21.441 2.414963       30.10657 
1 1 1 2   1  3  o 1135.79 24.349 274.730 11.712 267.515 16.612  281.859 16.513 1117.32 35.109 1147.31 33.987 -29.99121      48.86411 
1 1 1 2   1  4  o 382.832 21.045 31.259  3.3988 32.246  4.7796  30.251  4.8342 387.545 29.340 375.047 30.706 12.49854       42.46959 
1 1 1 2   1  5  o 605.846 15.306 77.896  3.9272 78.439  5.5545  77.353  5.5532 607.278 21.598 603.043 21.745 4.235413       30.64808 
1 1 1 2   1  6  o 564.499 15.260 67.629  3.6481 67.449  5.1559  67.810  5.1624 563.096 21.621 564.607 21.591 -1.510132      30.55532 
1 1 1 2   1  7  o 310.371 14.989 20.447  1.9701 19.745  2.7811  21.153  2.7912 303.829 21.758 314.628 21.070 -10.79919      30.28815 
1 1 1 2   1  8  o 444.126 15.165 41.882  2.8522 39.774  4.0342  43.988  4.0331 431.578 22.147 454.591 20.950 -23.01291      30.48599 
1 1 1 2   1  9  o 155.165 16.952 5.1787  1.0958 6.1235  1.5509  4.2368  1.5485 168.026 22.350 138.367 27.396 29.65863       35.35592 
1 1 1 2   1  10 o 362.255 17.779 27.933  2.7275 26.928  4.7394  28.431  3.3352 352.219 32.127 364.370 21.713 -12.15155      38.77615 
1 1 1 2   1  11 o 344.914 15.427 25.294  2.2534 27.084  3.1918  23.516  3.1819 355.624 21.291 330.996 22.839 24.62805       31.22423 
1 1 1 2   1  12 o 533.832 21.817 60.787  4.9322 57.759  6.9177  63.919  7.0340 517.333 31.729 544.657 30.620 -27.32446      44.09401 
1 1 1 2   1  13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   1  14 o 413.820 15.565 36.342  2.7277 34.590  3.8572  38.093  3.8578 402.589 22.717 422.695 21.624 -20.10641      31.36284 
1 1 1 2   1  15 o 625.406 15.870 82.972  4.2033 87.612  5.9459  78.336  5.9429 642.129 21.865 607.063 23.117 35.06622       31.81909 
1 1 1 2   1  16 o 700.886 16.092 104.193 4.7763 102.413 6.7439  105.984 6.7657 694.273 22.937 706.307 22.619 -12.03424      32.21383 
1 1 1 2   1  17 o 368.497 15.807 28.801  2.4667 32.059  3.5065  25.609  3.4708 387.922 21.427 346.304 23.811 41.61823       32.03260 
1 1 1 2   1  18 o 1037.68 24.856 229.049 10.923 214.997 15.437  243.139 15.458 1002.75 36.352 1066.95 34.210 -64.20227      49.91779 
1 1 1 2   1  19 o 811.430 23.102 140.049 7.9388 144.604 11.253  135.535 11.202 822.754 32.296 796.333 33.216 26.42108       46.32821 
1 1 1 2   1  20 o 715.991 19.029 108.919 5.7700 108.769 10.123  108.991 7.0226 712.964 33.526 715.643 23.172 -2.678406      40.75420 
1 1 1 2   1  21 o 1127.80 17.842 270.174 8.5214 263.359 12.052  276.987 12.050 1111.63 25.602 1140.21 24.955 -28.58362      35.75187 
1 1 1 2   1  22 o 625.945 16.307 83.210  4.3227 77.439  6.0834  89.097  6.1435 602.832 23.829 646.851 22.427 -44.01947      32.72269 
1 1 1 2   1  23 o 676.841 19.150 97.514  5.4892 92.098  9.6155  100.133 6.6856 652.937 34.901 685.065 23.044 -32.12872      41.82223 
1 1 1 2   1  24 o 898.227 19.895 172.060 7.5678 169.516 13.233  173.297 9.2253 884.831 35.314 899.916 24.207 -15.08484      42.81428 
1 1 1 2   1  25 o 248.316 25.521 13.371  2.6456 13.645  3.7274  13.093  3.7555 247.898 36.607 242.378 37.822 5.520493       52.63632 
1 1 1 2   1  26 o 175.361 39.232 7.0100  2.8407 0.0000  0.0000  7.0100  2.8407 ?       ?      175.361 39.232 0.000000       39.23235 
1 1 1 2   1  27 o 170.447 24.753 6.3951  1.7345 10.683  3.1361  4.5055  2.0819 217.879 35.187 140.432 35.102 77.44656       49.70242 
1 1 1 2   1  28 o 111.421 35.763 2.7132  1.9127 5.1889  2.7366  0.3487  2.6744 149.495 41.667 92.757  39.306 56.73766       57.28100 
1 1 1 2   1  29 o 296.070 27.236 19.312  3.3766 16.834  4.6746  22.016  4.8826 268.986 42.444 310.922 37.863 -41.93634      56.87845 
1 1 1 2   1  30 o 335.198 26.103 24.723  3.6762 24.460  5.1155  25.004  5.2866 326.954 37.632 330.012 38.554 -3.057526      53.87504 
1 1 1 2   2  0  o 384.714 16.331 31.422  2.6606 31.754  4.5623  31.250  3.2752 384.738 28.198 382.862 20.272 1.875397       34.72857 
1 1 1 2   2  1  o 564.996 14.766 67.738  3.5332 66.954  4.9973  68.522  4.9960 561.098 21.031 567.660 20.782 -6.562744      29.56663 
1 1 1 2   2  2  o 504.221 14.747 53.949  3.1490 56.446  4.4552  51.456  4.4515 515.256 20.417 491.858 21.371 23.39758       29.55651 
1 1 1 2   2  3  o 350.800 20.794 26.258  3.0754 24.399  4.3744  28.075  4.3245 336.484 31.048 361.607 28.469 -25.12314      42.12471 
1 1 1 2   2  4  o 369.487 20.957 29.123  3.2658 28.820  4.5792  29.436  4.6589 366.176 29.788 370.058 29.986 -3.881958      42.26674 
1 1 1 2   2  5  o 415.650 14.875 36.660  2.6184 36.569  3.6927  36.752  3.7132 414.153 21.125 415.187 21.189 -1.033813      29.92038 
1 1 1 2   2  6  o 804.144 15.924 137.269 5.4228 143.449 7.6614  131.064 7.6766 821.107 22.033 784.674 23.101 36.43250       31.92330 
1 1 1 2   2  7  o 306.664 15.024 19.962  1.9512 20.101  2.7631  19.823  2.7557 306.613 21.414 304.461 21.511 2.151459       30.35294 
1 1 1 2   2  8  o 482.043 15.185 49.340  3.0998 51.050  4.3810  47.626  4.3866 489.687 21.126 472.885 21.904 16.80246       30.43165 
1 1 1 2   2  9  o 358.230 15.161 27.261  2.3000 26.227  3.2382  28.314  3.2673 350.077 21.953 363.900 21.294 -13.82339      30.58416 
1 1 1 2   2  10 o 191.352 18.874 7.8735  1.5095 7.3484  2.5928  8.1427  1.8566 181.537 34.995 193.913 23.061 -12.37607      41.91013 
1 1 1 2   2  11 o 619.349 18.050 81.683  4.7344 80.634  5.7856  83.808  8.2367 614.469 22.233 623.892 31.174 -9.423645      38.29053 
1 1 1 2   2  12 o 450.668 17.784 43.216  3.3941 41.243  5.8093  44.238  4.1822 436.892 31.612 455.429 21.684 -18.53723      38.33393 
1 1 1 2   2  13 o 896.513 23.574 171.337 8.9503 0.0000  0.0000  171.337 8.9503 ?       ?      896.513 23.574 0.000000       23.57421 
1 1 1 2   2  14 o 876.638 16.558 163.131 6.1469 162.811 8.6907  163.452 8.6955 874.679 23.462 876.406 23.429 -1.727295      33.15649 
1 1 1 2   2  15 f 567.836 18.346 68.441  4.4118 70.758  7.7138  67.315  5.3783 575.111 31.795 562.794 22.566 12.31696       38.98905 
1 1 1 2   2  16 o 778.050 16.341 128.405 5.3844 124.956 7.6089  131.864 7.6205 766.831 23.430 787.811 22.841 -20.97992      32.72158 
1 1 1 2   2  17 o 135.335 20.406 3.9756  1.1332 5.2064  1.6098  2.7666  1.5954 154.457 25.500 112.524 31.975 41.93301       40.89804 
1 1 1 2   2  18 o 328.115 23.359 23.003  3.2247 21.595  4.5680  24.403  4.5528 316.091 34.695 336.657 32.332 -20.56580      47.42439 
1 1 1 2   2  19 o 323.401 33.010 22.577  4.4575 0.0000  0.0000  22.577  4.4575 ?       ?      323.401 33.010 0.000000       33.00966 
1 1 1 2   2  20 o 374.062 18.941 29.803  2.9907 28.970  5.2512  30.204  3.6385 366.322 34.247 376.056 22.957 -9.734100      41.22962 
1 1 1 2   2  21 o 376.500 19.038 30.200  3.0256 26.841  5.3024  31.821  3.6843 351.993 36.081 386.025 22.636 -34.03198      42.59366 
1 1 1 2   2  22 o 857.845 19.611 156.498 7.1244 154.266 12.502  157.572 8.6698 847.778 34.823 859.905 23.808 -12.12714      42.18348 
1 1 1 2   2  23 o 466.768 18.869 46.371  3.7299 51.185  6.6249  44.137  4.5132 486.977 32.307 454.144 23.547 32.83359       39.97804 
1 1 1 2   2  24 o 563.740 18.911 67.730  4.5148 64.861  7.8953  69.125  5.5033 546.648 34.278 568.669 22.852 -22.02112      41.19706 
1 1 1 2   2  25 o 347.881 24.157 26.066  3.5369 24.430  4.9750  27.737  5.0292 333.366 35.800 356.135 33.748 -22.76868      49.19981 
1 1 1 2   2  26 o 389.257 32.489 33.147  5.3067 0.0000  0.0000  33.147  5.3067 ?       ?      389.257 32.489 0.000000       32.48859 
1 1 1 2   2  27 o 204.585 22.515 9.1109  1.9184 7.6608  3.3010  9.8506  2.3574 181.335 43.536 211.643 26.911 -30.30801      51.18166 
1 1 1 2   2  28 o 119.669 28.714 3.2440  1.4366 1.7261  2.7006  3.8429  1.6965 106.259 41.491 129.923 31.222 -23.66353      51.92616 
1 1 1 2   2  29 o 124.190 29.647 3.5215  1.5377 5.3628  3.1557  2.9482  1.7609 150.815 45.563 114.070 33.940 36.74579       56.81477 
1 1 1 2   2  30 o 341.676 25.765 25.659  3.7007 28.749  5.1861  22.453  5.2823 356.582 34.786 310.904 41.129 45.67798       53.86704 
1 1 1 2   3  0  o 636.542 19.986 86.135  5.3875 90.059  7.5669  82.100  7.6724 649.743 27.500 620.069 29.218 29.67413       40.12400 
1 1 1 2   3  1  o 650.982 20.777 90.114  5.7280 89.199  8.0763  91.040  8.1251 646.278 29.509 652.938 29.384 -6.660034      41.64370 
1 1 1 2   3  2  o 424.621 28.960 38.666  5.1765 38.666  5.1765  0.0000  0.0000 424.621 28.960 ?       ?      0.000000       28.95975 
1 1 1 2   3  3  o 251.479 20.655 13.536  2.1803 13.843  3.0801  13.228  3.0866 252.982 29.291 247.075 30.123 5.907547       42.01636 
1 1 1 2   3  4  o 689.763 31.076 101.685 9.0775 0.0000  0.0000  101.685 9.0775 ?       ?      689.763 31.076 0.000000       31.07600 
1 1 1 2   3  5  o 591.783 17.535 74.374  4.3944 78.592  7.6469  72.294  5.3697 606.653 29.765 582.988 21.749 23.66479       36.86404 
1 1 1 2   3  6  o 269.626 17.378 15.504  1.9737 15.957  3.4421  15.281  2.4090 271.608 30.449 267.176 21.473 4.432312       37.25884 
1 1 1 2   3  7  o 838.394 18.589 149.398 6.6001 147.808 11.479  150.183 8.0669 830.682 32.631 839.823 22.682 -9.141602      39.73976 
1 1 1 2   3  8  o 242.786 17.854 12.597  1.8229 13.447  3.1897  12.185  2.2213 248.692 30.956 238.139 22.285 10.55325       38.14339 
1 1 1 2   3  9  o 261.387 17.788 14.599  1.9573 14.291  3.3992  14.752  2.3941 256.010 32.055 262.175 21.759 -6.165100      38.74278 
1 1 1 2   3  10 o 399.816 21.953 34.221  3.7029 36.800  5.2375  31.644  5.2359 412.704 30.176 381.855 32.693 30.84882       44.49086 
1 1 1 2   3  11 o 344.783 21.965 25.481  3.1905 24.587  4.5103  26.376  4.5138 336.351 32.052 348.784 30.878 -12.43292      44.50609 
1 1 1 2   3  12 o 276.482 22.924 16.425  2.6599 0.0000  0.0000  16.425  2.6599 ?       ?      276.482 22.924 0.000000       22.92396 
1 1 1 2   3  13 o 382.712 22.247 31.301  3.5902 0.0000  0.0000  31.301  3.5902 ?       ?      382.712 22.247 0.000000       22.24722 
1 1 1 2   3  14 o 281.719 18.688 16.931  2.2169 16.752  3.8636  17.020  2.7069 277.926 33.502 281.934 22.869 -4.007904      40.56274 
1 1 1 2   3  15 o 851.152 19.158 153.805 6.9056 159.410 12.036  151.054 8.4314 864.316 32.882 842.932 23.619 21.38428       40.48562 
1 1 1 2   3  16 o 729.210 18.760 112.852 5.7935 118.101 10.111  110.286 7.0692 744.347 32.074 720.441 23.170 23.90619       39.56763 
1 1 1 2   3  17 o 889.153 19.437 167.831 7.3191 172.540 12.790  165.538 8.9249 899.274 33.583 882.485 23.881 16.78857       41.20858 
1 1 1 2   3  18 o 874.411 23.931 162.596 8.8619 154.349 12.531  170.846 12.534 849.920 34.815 894.578 33.085 -44.65863      48.02818 
1 1 1 2   3  19 o 561.144 32.146 67.480  7.6075 0.0000  0.0000  67.480  7.6075 ?       ?      561.144 32.146 0.000000       32.14650 
1 1 1 2   3  20 o 553.492 18.792 65.086  4.4048 65.646  7.6629  64.809  5.3830 553.031 32.867 551.853 23.033 1.177917       40.13443 
1 1 1 2   3  21 o 614.209 18.887 80.166  4.9126 80.668  8.6305  79.926  5.9751 612.942 33.374 612.758 23.026 0.1843262      40.54646 
1 1 1 2   3  22 o 554.911 18.886 65.466  4.4382 69.626  7.7935  63.470  5.3992 569.135 32.470 545.800 23.359 23.33521       39.99881 
1 1 1 2   3  23 o 492.428 18.961 51.615  3.9541 52.549  6.9248  51.163  4.8165 493.098 33.357 489.628 23.228 3.469330       40.64817 
1 1 1 2   3  24 o 400.389 19.072 34.171  3.2339 32.691  5.6813  34.881  3.9332 387.120 35.034 403.254 23.128 -16.13446      41.97977 
1 1 1 2   3  25 o 424.850 23.768 38.801  4.2592 40.319  6.0258  37.286  6.0210 430.038 33.348 412.936 34.754 17.10214       48.16570 
1 1 1 2   3  26 o 178.135 40.830 7.2628  3.0143 0.0000  0.0000  7.2628  3.0143 ?       ?      178.135 40.830 0.000000       40.83011 
1 1 1 2   3  27 o 169.967 24.146 6.3500  1.6892 6.2966  2.8101  6.3802  2.1136 164.951 40.520 168.594 30.736 -3.643173      50.85854 
1 1 1 2   3  28 o 337.417 20.296 24.557  2.8866 23.006  4.9433  25.359  3.5558 319.758 37.200 341.400 24.763 -21.64178      44.68814 
1 1 1 2   3  29 o 402.956 19.924 34.990  3.4000 47.628  6.1197  29.348  4.0892 463.286 31.376 365.697 26.586 97.58902       41.12518 
1 1 1 2   3  30 o 176.956 25.013 6.9565  1.8222 8.4549  3.3573  6.3308  2.1696 188.126 43.069 166.310 31.966 21.81645       53.63607 
1 1 1 2   4  0  o 510.713 18.538 55.417  4.0095 55.625  5.6342  55.203  5.7071 510.160 26.167 508.132 26.614 2.028320       37.32278 
1 1 1 2   4  1  o 306.224 19.114 20.004  2.4664 19.363  3.4604  20.666  3.5162 300.044 27.541 310.140 27.042 -10.09573      38.59759 
1 1 1 2   4  2  o 770.908 30.154 126.964 9.8444 126.964 9.8444  0.0000  0.0000 770.908 30.154 ?       ?      0.000000       30.15378 
1 1 1 2   4  3  o 698.844 30.232 104.336 8.9473 0.0000  0.0000  104.336 8.9473 ?       ?      698.844 30.232 0.000000       30.23223 
1 1 1 2   4  4  o 374.231 29.508 30.086  4.6386 0.0000  0.0000  30.086  4.6386 ?       ?      374.231 29.508 0.000000       29.50776 
1 1 1 2   4  5  o 590.279 21.408 74.104  5.3515 78.601  7.5469  69.555  7.5896 606.753 29.371 569.555 31.590 37.19800       43.13389 
1 1 1 2   4  6  o 685.655 17.861 99.870  5.1863 100.491 8.9733  99.558  6.3553 685.574 30.907 684.021 21.939 1.552551       37.90194 
1 1 1 2   4  7  o 601.203 17.679 76.800  4.5011 71.143  7.7845  79.641  5.5167 575.501 32.068 611.746 21.295 -36.24518      38.49432 
1 1 1 2   4  8  o 443.075 17.446 41.728  3.2736 41.655  5.6859  41.764  4.0037 439.898 30.714 442.849 21.348 -2.950592      37.40461 
1 1 1 2   4  9  o 407.079 17.547 35.247  3.0250 31.527  5.2522  37.094  3.7004 381.525 32.826 416.676 21.038 -35.15158      38.98948 
1 1 1 2   4  10 o 126.943 27.362 3.5851  1.4276 3.0232  1.9409  4.2475  2.1074 117.804 35.765 137.620 35.814 -19.81578      50.61378 
1 1 1 2   4  11 o 740.317 22.785 117.079 7.1435 111.444 10.075  122.777 10.130 718.784 33.098 755.026 31.682 -36.24249      45.81741 
1 1 1 2   4  12 o 501.489 22.204 53.644  4.7157 0.0000  0.0000  53.644  4.7157 ?       ?      501.489 22.204 0.000000       22.20426 
1 1 1 2   4  13 o 409.185 22.409 35.765  3.8684 0.0000  0.0000  35.765  3.8684 ?       ?      409.185 22.409 0.000000       22.40888 
1 1 1 2   4  14 o 1269.49 21.088 342.589 11.337 309.470 19.655  359.101 13.879 1201.05 38.644 1298.63 25.236 -97.57849      46.15419 
1 1 1 2   4  15 o 875.373 19.233 162.682 7.1298 157.277 12.386  165.361 8.7193 858.306 34.076 882.003 23.343 -23.69727      41.30453 
1 1 1 2   4  16 o 680.803 18.618 98.363  5.3679 107.653 9.3564  93.805  6.5537 710.803 31.083 664.421 23.292 46.38135       38.84108 
1 1 1 2   4  17 o 847.041 19.275 152.307 6.9142 151.358 12.052  152.772 8.4415 842.200 33.791 847.812 23.511 -5.612427      41.16563 
1 1 1 2   4  18 o 702.463 23.155 104.912 6.8883 101.510 9.7464  108.306 9.7367 689.477 33.380 712.377 32.274 -22.89972      46.43084 
1 1 1 2   4  19 o 874.731 23.897 162.818 8.8524 0.0000  0.0000  162.818 8.8524 ?       ?      874.731 23.897 0.000000       23.89697 
1 1 1 2   4  20 o 396.859 19.072 33.465  3.2053 42.852  5.5714  28.821  3.9187 447.042 29.596 366.948 25.373 80.09299       38.98372 
1 1 1 2   4  21 o 407.552 19.106 35.300  3.2977 30.360  5.6351  37.873  4.0667 374.567 35.967 421.197 22.885 -46.62961      42.63031 
1 1 1 2   4  22 o 226.248 21.399 10.992  2.0259 10.372  3.3477  11.350  2.5448 216.526 37.889 229.062 26.737 -12.53616      46.37251 
1 1 1 2   4  23 o 620.096 19.093 81.860  5.0138 81.869  8.7261  81.856  6.1260 615.801 33.588 619.253 23.359 -3.451416      40.91202 
1 1 1 2   4  24 o 461.971 19.025 45.493  3.7220 38.735  6.4435  48.877  4.5596 421.079 36.495 478.206 22.515 -57.12643      42.88101 
1 1 1 2   4  25 o 675.994 23.835 97.957  6.8236 92.162  9.6246  103.814 9.6755 650.213 35.083 692.037 33.014 -41.82501      48.17409 
1 1 1 2   4  26 o 217.655 26.466 10.353  2.3893 0.0000  0.0000  10.353  2.3893 ?       ?      217.655 26.466 0.000000       26.46602 
1 1 1 2   4  27 o 390.907 19.743 32.853  3.2578 29.747  5.5748  34.464  4.0146 365.272 36.529 399.026 23.867 -33.75446      43.63474 
1 1 1 2   4  28 o 91.882  30.270 1.7824  1.3656 3.0809  2.3941  1.1562  1.6625 119.592 40.103 85.637  32.791 33.95520       51.80234 
1 1 1 2   4  29 o 427.043 19.843 39.299  3.5887 40.380  6.2988  38.780  4.3667 423.663 35.433 421.609 24.563 2.053558       43.11391 
1 1 1 2   4  30 o 423.147 19.763 38.650  3.5416 38.080  6.2355  38.921  4.3030 409.559 36.328 422.013 24.178 -12.45401      43.63793 
1 1 1 2   5  0  o 317.340 17.394 21.451  2.3287 20.816  3.2639  22.110  3.3235 311.599 24.943 321.249 24.617 -9.649261      35.04502 
1 1 1 2   5  1  o 73.618  24.232 1.1016  0.8752 1.1016  0.8752  0.0000  0.0000 73.618  24.232 ?       ?      0.000000       24.23210 
1 1 1 2   5  2  o 900.354 30.191 173.188 11.512 173.188 11.512  0.0000  0.0000 900.354 30.191 ?       ?      0.000000       30.19138 
1 1 1 2   5  3  o 205.507 29.203 9.1928  2.4700 0.0000  0.0000  9.1928  2.4700 ?       ?      205.507 29.203 0.000000       29.20285 
1 1 1 2   5  4  o 301.657 20.373 19.433  2.5873 18.129  3.6389  20.766  3.6795 289.816 30.087 310.704 28.273 -20.88840      41.28677 
1 1 1 2   5  5  o 736.121 21.711 115.264 6.7681 114.071 9.5447  116.472 9.5987 730.606 30.849 738.287 30.700 -7.681335      43.52192 
1 1 1 2   5  6  o 608.286 21.416 78.722  5.5168 76.198  7.7536  81.310  7.8511 596.169 30.816 616.785 30.057 -20.61658      43.04738 
1 1 1 2   5  7  o 725.336 22.083 112.020 6.7832 107.211 9.5360  116.946 9.6509 707.495 31.827 739.178 30.830 -31.68274      44.31099 
1 1 1 2   5  8  f 636.524 21.906 86.323  5.9051 88.369  8.3204  84.247  8.3819 642.144 30.596 625.938 31.724 16.20581       44.07446 
1 1 1 2   5  9  o 213.592 18.259 9.7786  1.6357 10.590  2.8324  9.3724  2.0036 219.920 31.295 208.302 23.102 11.61804       38.89816 
1 1 1 2   5  10 o 241.483 22.793 12.564  2.3034 8.4251  3.1719  17.183  3.3505 193.495 40.028 281.552 28.493 -88.05614      49.13343 
1 1 1 2   5  11 o 320.964 31.635 22.385  4.2441 0.0000  0.0000  22.385  4.2441 ?       ?      320.964 31.635 0.000000       31.63528 
1 1 1 2   5  12 o 1011.73 23.991 218.558 10.279 241.433 14.680  196.554 14.398 1059.59 32.716 954.694 35.612 104.8925       48.35798 
1 1 1 2   5  13 o 408.953 18.114 35.544  3.1371 26.578  5.3243  40.312  3.8827 349.857 36.472 435.236 21.065 -85.37900      42.11821 
1 1 1 2   5  14 o 1041.37 24.409 230.806 10.765 240.291 15.259  221.407 15.189 1060.01 33.991 1017.12 35.262 42.88635       48.97746 
1 1 1 2   5  15 o 741.705 18.720 116.773 5.8802 121.926 10.211  114.216 7.1925 756.131 31.888 733.063 23.168 23.06775       39.41579 
1 1 1 2   5  16 o 1016.86 19.877 219.505 8.5595 216.613 14.853  220.943 10.473 1007.48 34.813 1019.54 24.257 -12.06781      42.43041 
1 1 1 2   5  17 o 578.850 18.529 71.117  4.5422 74.795  7.8901  69.293  5.5550 591.473 31.614 571.021 22.971 20.45282       39.07848 
1 1 1 2   5  18 o 1487.02 39.398 473.811 24.811 473.811 24.811  0.0000  0.0000 1487.02 39.398 ?       ?      0.000000       39.39821 
1 1 1 2   5  19 o 936.898 24.248 186.822 9.6209 0.0000  0.0000  186.822 9.6209 ?       ?      936.898 24.248 0.000000       24.24819 
1 1 1 2   5  20 o 571.737 18.842 69.452  4.5621 68.520  7.8657  69.925  5.6002 564.964 33.019 573.192 23.071 -8.227844      40.28074 
1 1 1 2   5  21 o 269.754 20.293 15.559  2.3012 17.233  3.8652  14.639  2.8641 281.873 33.005 260.730 26.298 21.14285       42.20121 
1 1 1 2   5  22 o 464.013 19.136 45.787  3.7603 47.369  6.5173  44.997  4.6039 468.862 33.034 458.858 23.774 10.00436       40.69971 
1 1 1 2   5  23 f 862.933 19.815 158.613 7.2411 140.871 12.523  167.524 8.8752 807.504 36.621 885.728 23.661 -78.22455      43.59967 
1 1 1 2   5  24 o 228.525 21.629 11.252  2.0683 10.905  3.4553  11.446  2.5820 220.988 38.309 229.393 27.102 -8.405685      46.92667 
1 1 1 2   5  25 o 392.338 34.328 33.672  5.6463 33.672  5.6463  0.0000  0.0000 392.338 34.328 ?       ?      0.000000       34.32832 
1 1 1 2   5  26 o 287.244 24.579 17.870  2.9611 0.0000  0.0000  17.870  2.9611 ?       ?      287.244 24.579 0.000000       24.57891 
1 1 1 2   5  27 f 224.117 21.756 10.900  2.0389 6.9113  3.4328  13.075  2.5343 171.605 46.207 244.810 24.786 -73.20499      52.43549 
1 1 1 2   5  28 o 365.549 19.835 28.792  3.0591 26.578  5.3694  29.857  3.7223 343.633 37.506 370.862 23.827 -27.22867      44.43425 
1 1 1 2   5  29 o 357.282 20.118 27.610  3.0315 31.369  5.3504  25.833  3.6791 373.762 34.181 343.376 25.482 30.38638       42.63414 
1 1 1 2   5  30 o 355.553 20.428 27.410  3.0630 28.049  5.3217  27.094  3.7456 351.082 36.318 351.291 25.347 -0.2088013     44.28860 
1 1 1 2   6  0  o 633.505 18.028 85.254  4.8367 89.060  6.8334  81.434  6.8469 646.536 24.957 618.048 26.159 28.48792       36.15496 
1 1 1 2   6  1  o 625.185 26.284 83.328  6.9589 83.328  6.9589  0.0000  0.0000 625.185 26.284 ?       ?      0.000000       26.28399 
1 1 1 2   6  2  o 235.842 26.837 12.011  2.6327 0.0000  0.0000  12.011  2.6327 ?       ?      235.842 26.837 0.000000       26.83718 
1 1 1 2   6  3  f 747.581 29.538 119.352 9.3515 0.0000  0.0000  119.352 9.3515 ?       ?      747.581 29.538 0.000000       29.53790 
1 1 1 2   6  4  o 419.551 19.917 37.416  3.5387 37.003  4.9692  37.841  5.0405 415.453 28.414 420.140 28.498 -4.686951      40.24318 
1 1 1 2   6  5  o 359.511 20.400 27.568  3.0930 26.918  4.3515  28.233  4.3973 353.854 29.302 362.524 28.882 -8.670471      41.14317 
1 1 1 2   6  6  o 1003.22 23.135 214.331 9.8292 219.087 13.861  209.521 13.941 1011.55 32.357 988.900 33.288 22.64929       46.42237 
1 1 1 2   6  7  o 1029.69 23.513 225.964 10.253 224.021 14.456  227.930 14.545 1021.90 33.404 1030.81 33.318 -8.911255      47.17963 
1 1 1 2   6  8  o 631.282 21.697 84.916  5.8005 81.249  8.1384  88.702  8.2696 614.636 31.371 643.274 30.356 -28.63800      43.65323 
1 1 1 2   6  9  o 836.597 22.806 149.408 8.0801 151.670 11.360  147.092 11.495 839.643 31.949 826.506 32.841 13.13702       45.81745 
1 1 1 2   6  10 o 431.310 30.743 40.223  5.5786 40.223  5.5786  0.0000  0.0000 431.310 30.743 ?       ?      0.000000       30.74285 
1 1 1 2   6  11 o 320.289 31.659 22.288  4.2379 0.0000  0.0000  22.288  4.2379 ?       ?      320.289 31.659 0.000000       31.65859 
1 1 1 2   6  12 o 599.664 22.106 76.669  5.6139 73.576  7.9327  79.773  7.9457 584.357 32.179 608.936 30.913 -24.57904      44.62202 
1 1 1 2   6  13 o 342.461 18.156 24.992  2.6237 22.004  4.4690  26.564  3.2410 318.695 33.620 352.612 21.811 -33.91663      40.07527 
1 1 1 2   6  14 o 729.540 22.781 113.187 7.0383 107.702 9.9092  118.772 9.9989 709.964 32.958 745.818 31.657 -35.85419      45.69902 
1 1 1 2   6  15 o 631.781 18.473 84.717  4.9426 73.868  8.4930  90.273  6.0778 587.277 34.298 651.846 22.017 -64.56805      40.75625 
1 1 1 2   6  16 o 676.761 22.783 97.311  6.5295 93.708  9.2299  100.920 9.2384 662.898 32.878 688.107 31.703 -25.20880      45.67314 
1 1 1 2   6  17 o 488.591 18.320 50.667  3.7906 55.880  6.5808  48.078  4.6372 511.155 30.540 475.623 23.022 35.53235       38.24562 
1 1 1 2   6  18 o 493.908 32.117 52.286  6.6812 52.286  6.6812  0.0000  0.0000 493.908 32.117 ?       ?      0.000000       32.11688 
1 1 1 2   6  19 o 1077.03 24.934 246.980 11.373 0.0000  0.0000  246.980 11.373 ?       ?      1077.03 24.934 0.000000       24.93412 
1 1 1 2   6  20 o 617.209 18.852 80.942  4.9275 90.155  8.5765  76.403  6.0202 649.450 31.183 599.050 23.730 50.39996       39.18583 
1 1 1 2   6  21 o 1066.26 20.475 241.770 9.2455 247.012 16.059  239.172 11.308 1073.21 35.333 1059.34 25.205 13.87122       43.40224 
1 1 1 2   6  22 o 497.799 18.983 52.699  4.0019 50.687  6.9039  53.716  4.9111 484.805 33.839 502.064 23.098 -17.25867      40.97058 
1 1 1 2   6  23 o 498.934 19.124 53.010  4.0407 44.865  6.8928  57.274  4.9876 454.390 36.118 518.011 22.736 -63.62067      42.67814 
1 1 1 2   6  24 o 701.507 19.341 104.950 5.7458 111.185 9.9729  101.852 7.0298 717.258 32.832 689.730 24.067 27.52765       40.70834 
1 1 1 2   6  25 o 784.423 34.435 133.737 11.439 133.737 11.439  0.0000  0.0000 784.423 34.435 ?       ?      0.000000       34.43486 
1 1 1 2   6  26 o 447.481 23.937 43.166  4.5197 0.0000  0.0000  43.166  4.5197 ?       ?      447.481 23.937 0.000000       23.93692 
1 1 1 2   6  27 o 158.696 25.660 5.5809  1.6657 4.8933  2.7629  5.9734  2.0878 145.779 42.282 162.716 31.435 -16.93719      52.68720 
1 1 1 2   6  28 o 130.546 28.146 3.8509  1.5102 2.7012  2.7595  4.3425  1.8044 117.490 42.781 138.029 31.557 -20.53812      53.16015 
1 1 1 2   6  29 o 470.570 19.759 47.736  3.9376 43.295  6.7866  49.990  4.8346 437.263 36.996 479.632 23.802 -42.36868      43.99142 
1 1 1 2   6  30 o 184.963 31.907 7.7955  2.4090 8.2964  3.1578  7.0981  3.7258 187.123 40.984 170.346 49.012 16.77661       63.88903 
1 1 1 2   7  0  f 857.602 26.798 156.850 9.7326 156.850 9.7326  0.0000  0.0000 857.602 26.798 ?       ?      0.000000       26.79776 
1 1 1 2   7  1  o 587.292 18.091 73.271  4.4994 75.962  6.3359  70.534  6.3907 597.090 25.057 575.190 26.236 21.90045       36.27876 
1 1 1 2   7  2  o 334.281 26.030 23.961  3.6558 0.0000  0.0000  23.961  3.6558 ?       ?      334.281 26.030 0.000000       26.02973 
1 1 1 2   7  3  o 826.624 20.567 145.289 7.1997 146.842 10.106  143.689 10.259 829.387 28.773 820.256 29.534 9.131287       41.23307 
1 1 1 2   7  4  f 564.655 19.912 67.773  4.7616 67.336  6.6354  68.237  6.8369 561.791 27.890 564.705 28.683 -2.913757      40.00696 
1 1 1 2   7  5  o 543.132 20.332 62.728  4.6767 64.722  6.5768  60.688  6.6514 549.895 28.338 532.165 29.631 17.73004       41.00070 
1 1 1 2   7  6  o 337.004 20.375 24.245  2.8943 24.127  4.0690  24.367  4.1177 334.790 28.985 336.421 29.191 -1.631165      41.13713 
1 1 1 2   7  7  o 242.964 20.996 12.659  2.1391 12.444  3.0116  12.877  3.0389 239.227 30.414 243.477 30.115 -4.250351      42.80091 
1 1 1 2   7  8  f 311.743 21.231 20.802  2.7862 21.556  3.9269  20.037  3.9537 315.778 29.714 304.043 31.146 11.73502       43.04642 
1 1 1 2   7  9  o 367.925 21.322 28.972  3.3080 28.512  4.6226  29.456  4.7358 363.004 30.349 368.939 30.587 -5.935425      43.08801 
1 1 1 2   7  10 o 402.190 30.740 35.008  5.1961 35.008  5.1961  0.0000  0.0000 402.190 30.740 ?       ?      0.000000       30.74002 
1 1 1 2   7  11 f 510.563 31.668 56.309  6.8134 0.0000  0.0000  56.309  6.8134 ?       ?      510.563 31.668 0.000000       31.66772 
1 1 1 2   7  12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   7  13 o 357.046 18.055 27.155  2.7212 29.156  4.6907  26.140  3.3408 368.077 30.363 349.684 22.682 18.39310       37.89980 
1 1 1 2   7  14 o 759.772 22.859 122.751 7.3550 125.985 10.370  119.476 10.433 768.183 31.877 747.867 32.942 20.31555       45.84039 
1 1 1 2   7  15 o 451.889 18.257 43.338  3.4939 31.509  5.9116  49.688  4.3314 382.236 36.982 483.678 21.146 -101.4427      42.60087 
1 1 1 2   7  16 f 796.157 23.196 134.697 7.8210 117.609 10.986  152.258 11.137 742.272 34.948 845.269 31.112 -102.9973      46.79030 
1 1 1 2   7  17 o 754.948 18.847 120.989 6.0258 123.940 10.397  119.496 7.3943 762.254 32.207 749.777 23.288 12.47711       39.74450 
1 1 1 2   7  18 o 801.774 33.131 137.316 11.250 137.316 11.250  0.0000  0.0000 801.774 33.131 ?       ?      0.000000       33.13126 
1 1 1 2   7  19 o 679.629 23.100 98.276  6.6485 0.0000  0.0000  98.276  6.6485 ?       ?      679.629 23.100 0.000000       23.09975 
1 1 1 2   7  20 o 516.127 18.768 56.602  4.1023 55.493  7.0392  57.171  5.0481 508.212 32.883 518.270 23.000 -10.05844      40.12847 
1 1 1 2   7  21 o 281.346 20.462 16.922  2.4213 13.390  4.0108  18.947  3.0371 246.477 39.779 297.240 24.341 -50.76352      46.63562 
1 1 1 2   7  22 o 372.214 19.287 29.549  3.0297 26.842  5.1487  30.983  3.7472 351.719 35.033 380.534 23.365 -28.81516      42.10960 
1 1 1 2   7  23 o 307.063 20.267 20.181  2.6207 21.794  4.4061  19.298  3.2601 316.361 33.392 299.199 25.987 17.16168       42.31237 
1 1 1 2   7  24 o 217.500 22.547 10.222  2.0466 5.5187  3.3759  12.954  2.5734 156.903 47.064 244.581 25.206 -87.67744      53.38939 
1 1 1 2   7  25 o 686.178 33.523 102.237 9.7414 102.237 9.7414  0.0000  0.0000 686.178 33.523 ?       ?      0.000000       33.52290 
1 1 1 2   7  26 o 280.670 25.364 17.105  2.9822 0.0000  0.0000  17.105  2.9822 ?       ?      280.670 25.364 0.000000       25.36417 
1 1 1 2   7  27 o 278.531 20.642 16.757  2.4175 17.823  4.0699  16.176  3.0051 282.412 34.763 271.931 26.429 10.48090       43.66909 
1 1 1 2   7  28 o 287.279 20.419 17.841  2.4680 22.136  4.3218  15.763  3.0064 315.336 32.845 267.911 26.860 47.42542       42.42950 
1 1 1 2   7  29 o 304.193 20.729 20.077  2.6545 24.276  4.7281  18.144  3.2077 327.992 34.560 286.825 26.715 41.16718       43.68128 
1 1 1 2   7  30 o 263.314 27.973 15.409  3.0715 12.540  4.1151  19.019  4.6155 229.521 43.937 286.889 39.000 -57.36789      58.74864 
1 1 1 2   8  0  o 317.010 16.497 21.395  2.2071 21.132  3.0898  21.669  3.1540 314.197 23.389 318.153 23.576 -3.956329      33.20955 
1 1 1 2   8  1  o 409.121 24.550 35.781  4.2338 0.0000  0.0000  35.781  4.2338 ?       ?      409.121 24.550 0.000000       24.54967 
1 1 1 2   8  2  o 669.557 18.728 95.257  5.3103 94.895  7.4502  95.631  7.5712 667.148 26.369 669.672 26.697 -2.523621      37.52423 
1 1 1 2   8  3  o 781.917 19.895 129.965 6.5878 135.198 9.2662  124.617 9.3678 796.098 27.485 764.002 28.953 32.09583       39.92141 
1 1 1 2   8  4  o 841.094 20.779 150.444 7.4015 152.303 10.374  148.516 10.563 844.556 29.006 833.768 29.915 10.78821       41.66864 
1 1 1 2   8  5  f 761.251 20.852 123.273 6.7222 122.661 9.3671  123.923 9.6525 757.692 29.192 761.403 29.935 -3.710815      41.81270 
1 1 1 2   8  6  o 891.578 21.959 169.248 8.2910 173.251 11.638  165.122 11.815 899.755 30.542 878.010 31.775 21.74487       44.07353 
1 1 1 2   8  7  o 485.387 20.496 50.155  4.2130 50.037  5.9085  50.277  6.0091 482.678 29.040 483.731 29.474 -1.053406      41.37690 
1 1 1 2   8  8  o 130.668 24.777 3.7660  1.3209 5.0087  1.7798  2.2420  1.9710 150.413 28.991 106.220 36.383 44.19331       46.52148 
1 1 1 2   8  9  o 431.116 29.885 40.136  5.4225 40.136  5.4225  0.0000  0.0000 431.116 29.885 ?       ?      0.000000       29.88460 
1 1 1 2   8  10 o 238.732 22.705 12.285  2.2679 13.539  3.1542  10.943  3.2630 249.045 30.547 222.182 35.903 26.86311       47.14028 
1 1 1 2   8  11 o 661.346 31.658 94.109  8.8667 0.0000  0.0000  94.109  8.8667 ?       ?      661.346 31.658 0.000000       31.65834 
1 1 1 2   8  12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   8  13 o 170.950 27.113 6.3840  1.8974 6.3581  2.6524  6.4112  2.7152 168.797 38.019 169.436 38.690 -0.6392822     54.24350 
1 1 1 2   8  14 o 504.899 22.136 54.187  4.7332 54.555  6.6873  53.818  6.7002 504.670 31.446 501.180 31.732 3.490631       44.67395 
1 1 1 2   8  15 o 722.973 18.589 110.937 5.6915 106.527 9.7998  113.181 6.9915 706.722 32.744 729.839 22.620 -23.11707      39.79719 
1 1 1 2   8  16 o 501.775 22.482 53.494  4.7773 61.548  6.7912  45.604  6.7216 536.695 30.000 460.950 34.687 75.74521       45.86061 
1 1 1 2   8  17 o 1260.74 25.742 338.177 13.744 332.280 19.495  344.003 19.378 1246.55 36.930 1268.64 36.069 -22.08435      51.62183 
1 1 1 2   8  18 o 1152.46 25.250 282.706 12.323 274.907 17.351  290.643 17.506 1133.37 36.150 1165.59 35.464 -32.21863      50.64142 
1 1 1 2   8  19 o 848.936 23.761 153.396 8.5425 0.0000  0.0000  153.396 8.5425 ?       ?      848.936 23.761 0.000000       23.76096 
1 1 1 2   8  20 o 255.430 20.591 13.962  2.2084 12.266  3.7036  14.898  2.7510 236.061 38.365 263.279 24.972 -27.21759      45.77610 
1 1 1 2   8  21 o 437.346 19.040 40.657  3.5265 36.875  5.9642  42.690  4.3728 413.350 34.383 447.145 23.172 -33.79489      41.46242 
1 1 1 2   8  22 o 491.667 18.932 51.422  3.9419 46.974  6.7139  53.761  4.8696 466.315 34.237 502.197 22.897 -35.88174      41.18817 
1 1 1 2   8  23 o 826.908 19.600 145.701 6.8638 138.618 11.819  149.306 8.4312 801.145 34.837 835.823 23.819 -34.67810      42.20155 
1 1 1 2   8  24 f 298.395 20.233 19.094  2.5417 17.037  4.2328  20.254  3.1786 277.653 36.913 306.446 24.702 -28.79376      44.41599 
1 1 1 2   8  25 o 262.596 35.996 15.289  3.8977 15.289  3.8977  0.0000  0.0000 262.596 35.996 ?       ?      0.000000       35.99609 
1 1 1 2   8  26 o 286.194 25.874 17.808  3.1020 0.0000  0.0000  17.808  3.1020 ?       ?      286.194 25.874 0.000000       25.87362 
1 1 1 2   8  27 o 291.088 20.706 18.301  2.5359 21.902  4.5077  16.634  3.0673 313.422 34.534 275.665 26.605 37.75745       43.59373 
1 1 1 2   8  28 o 304.707 20.782 20.082  2.6657 18.335  4.6430  20.941  3.2558 283.320 39.794 309.742 25.035 -26.42194      47.01412 
1 1 1 2   8  29 o 183.460 24.737 7.4552  1.8729 6.5492  3.2442  7.9081  2.2938 165.075 45.118 187.239 29.936 -22.16397      54.14639 
1 1 1 2   8  30 o 358.772 25.405 28.274  3.8350 29.914  5.3146  26.492  5.5393 363.389 34.966 338.934 39.322 24.45554       52.62021 
1 1 1 2   9  0  o 638.748 24.718 86.922  6.6862 0.0000  0.0000  86.922  6.6862 ?       ?      638.748 24.718 0.000000       24.71771 
1 1 1 2   9  1  o 302.008 16.857 19.428  2.1474 18.290  3.0056  20.614  3.0691 292.009 24.532 310.282 23.532 -18.27332      33.99368 
1 1 1 2   9  2  o 498.723 17.717 52.831  3.7419 52.055  5.2742  53.617  5.3096 493.611 25.316 501.649 24.993 -8.038483      35.57457 
1 1 1 2   9  3  o 480.212 18.160 48.989  3.6930 47.836  5.1673  50.193  5.2800 473.039 25.893 484.595 25.821 -11.55603      36.56723 
1 1 1 2   9  4  o 963.618 21.104 197.528 8.6120 193.313 12.097  201.859 12.263 951.039 30.035 971.905 29.794 -20.86646      42.30640 
1 1 1 2   9  5  f 573.922 19.654 70.044  4.7770 71.810  6.6732  68.188  6.8414 579.991 27.169 564.196 28.728 15.79559       39.54055 
1 1 1 2   9  6  o 632.644 20.320 85.169  5.4442 81.681  7.5671  88.912  7.8387 617.993 28.913 644.813 28.706 -26.82007      40.74323 
1 1 1 2   9  7  f 342.579 20.136 25.071  2.9085 22.699  4.0594  27.573  4.1691 324.139 29.910 357.968 27.718 -33.82895      40.77848 
1 1 1 2   9  8  f 409.886 20.479 35.806  3.5549 33.197  4.9437  38.599  5.1155 392.129 29.997 423.323 28.704 -31.19379      41.51827 
1 1 1 2   9  9  o 513.701 30.067 56.938  6.5125 56.938  6.5125  0.0000  0.0000 513.701 30.067 ?       ?      0.000000       30.06723 
1 1 1 2   9  10 o 255.339 32.698 14.280  3.4545 0.0000  0.0000  14.280  3.4545 ?       ?      255.339 32.698 0.000000       32.69807 
1 1 1 2   9  11 o 448.213 31.234 43.389  5.8915 0.0000  0.0000  43.389  5.8915 ?       ?      448.213 31.234 0.000000       31.23354 
1 1 1 2   9  12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   9  13 o 341.924 22.509 24.982  3.2411 23.445  4.5192  26.610  4.6509 329.469 32.827 351.441 31.587 -21.97177      45.55564 
1 1 1 2   9  14 o 1077.76 24.409 247.079 11.141 241.638 15.625  252.705 15.889 1063.37 34.698 1087.51 34.499 -24.13513      48.92982 
1 1 1 2   9  15 o 520.449 22.113 57.544  4.8739 51.893  6.8250  63.425  6.9624 492.171 32.935 544.783 30.298 -52.61224      44.75150 
1 1 1 2   9  16 o 527.413 18.251 59.033  4.0765 65.334  7.0374  55.852  5.0009 552.955 30.166 512.660 23.035 40.29486       37.95522 
1 1 1 2   9  17 o 603.637 32.200 77.965  8.2017 77.965  8.2017  0.0000  0.0000 603.637 32.200 ?       ?      0.000000       32.20011 
1 1 1 2   9  18 o 924.595 23.973 181.892 9.3867 0.0000  0.0000  181.892 9.3867 ?       ?      924.595 23.973 0.000000       23.97275 
1 1 1 2   9  19 o 915.131 19.545 177.965 7.5748 194.344 13.130  169.796 9.2735 953.304 32.524 892.963 24.523 60.34052       40.73289 
1 1 1 2   9  20 o 293.056 19.911 18.341  2.4565 18.501  4.3028  18.263  2.9920 291.664 35.573 291.805 24.436 -0.1412048     43.15754 
1 1 1 2   9  21 o 402.489 19.280 34.441  3.2863 30.875  5.6841  36.231  4.0278 377.569 35.984 411.807 23.190 -34.23788      42.80933 
1 1 1 2   9  22 o 340.847 19.695 24.808  2.8308 28.447  4.8912  22.975  3.4712 362.677 32.180 327.062 25.257 35.61554       40.90803 
1 1 1 2   9  23 o 1010.65 20.290 217.795 8.6840 240.957 15.102  206.354 10.614 1056.55 33.752 981.756 25.530 74.79755       42.31971 
1 1 1 2   9  24 o 956.463 20.104 195.323 8.1431 211.316 14.137  187.381 9.9618 987.422 33.807 934.629 25.168 52.79230       42.14655 
1 1 1 2   9  25 o 409.189 19.363 35.768  3.3554 40.290  5.7829  33.474  4.1199 429.928 31.991 393.989 24.819 35.93900       40.48946 
1 1 1 2   9  26 o 271.775 25.459 16.069  2.8961 0.0000  0.0000  16.069  2.8961 ?       ?      271.775 25.459 0.000000       25.45929 
1 1 1 2   9  27 o 288.505 20.746 17.985  2.5178 19.555  4.4563  17.249  3.0515 295.024 36.442 280.927 25.942 14.09625       44.73312 
1 1 1 2   9  28 o 265.115 20.968 15.236  2.3350 17.251  3.9971  14.192  2.8768 276.867 34.863 253.811 27.188 23.05531       44.21110 
1 1 1 2   9  29 o 197.306 22.989 8.5606  1.8849 7.2035  3.2906  9.2233  2.2994 173.012 44.621 203.386 27.394 -30.37347      52.35862 
1 1 1 2   9  30 o 114.778 44.811 2.2458  3.1498 0.0000  0.0000  2.2458  3.1498 ?       ?      114.778 44.811 0.000000       44.81143 
1 1 1 2   10 0  o 640.466 13.675 87.021  3.7090 91.573  6.4002  84.719  4.5512 655.870 23.043 631.613 17.015 24.25677       28.64385 
1 1 1 2   10 1  o 227.798 16.684 11.077  1.5983 12.049  2.2415  10.072  2.2796 236.876 22.620 215.937 25.415 20.93971       34.02296 
1 1 1 2   10 2  o 1428.17 23.575 434.285 14.258 451.585 20.137  416.891 20.192 1452.62 32.734 1395.04 34.178 57.58167       47.32475 
1 1 1 2   10 3  o 1333.04 23.130 378.355 13.057 389.524 18.395  367.011 18.538 1349.10 32.196 1308.98 33.442 40.11475       46.42146 
1 1 1 2   10 4  o 390.302 18.202 32.372  3.0086 35.430  4.2134  29.191  4.2975 406.994 24.560 368.744 27.723 38.25012       37.03751 
1 1 1 2   10 5  o 292.605 18.704 18.276  2.3056 18.855  3.2283  17.673  3.2940 296.134 26.005 286.368 27.500 9.766602       37.84851 
1 1 1 2   10 6  o 849.215 21.056 153.565 7.5724 157.257 10.580  149.686 10.843 857.167 29.146 835.810 30.633 21.35730       42.28334 
1 1 1 2   10 7  o 404.865 19.791 34.903  3.3933 33.582  4.6962  36.347  4.9087 395.011 28.260 411.001 28.376 -15.98996      40.04738 
1 1 1 2   10 8  o 179.349 21.949 6.9652  1.6323 7.6816  2.2383  6.1514  2.3856 187.014 29.217 165.761 35.078 21.25284       45.65215 
1 1 1 2   10 9  o 551.547 29.492 65.584  6.8636 65.584  6.8636  0.0000  0.0000 551.547 29.492 ?       ?      0.000000       29.49191 
1 1 1 2   10 10 o 230.163 32.480 11.632  3.0779 0.0000  0.0000  11.632  3.0779 ?       ?      230.163 32.480 0.000000       32.48028 
1 1 1 2   10 11 o 624.955 21.706 83.281  5.7449 81.460  8.0649  85.157  8.1855 615.096 31.061 629.766 30.692 -14.67004      43.66671 
1 1 1 2   10 12 o 784.770 32.156 131.998 10.687 0.0000  0.0000  131.998 10.687 ?       ?      784.770 32.156 0.000000       32.15557 
1 1 1 2   10 13 o 538.117 21.895 61.583  4.9896 60.532  6.9671  62.690  7.1491 531.443 31.092 540.815 31.349 -9.371155      44.15269 
1 1 1 2   10 14 o 1177.73 24.946 295.058 12.442 306.647 17.490  283.184 17.704 1198.13 34.470 1150.83 36.325 47.30408       50.07690 
1 1 1 2   10 15 f 269.252 23.795 15.528  2.6854 16.579  3.7373  14.408  3.8611 276.974 32.479 257.213 36.468 19.76123       48.83413 
1 1 1 2   10 16 o 324.663 23.176 22.515  3.1656 21.281  4.4067  23.831  4.5503 314.037 33.660 332.677 32.721 -18.64084      46.94319 
1 1 1 2   10 17 o 710.814 32.192 107.834 9.6905 107.834 9.6905  0.0000  0.0000 710.814 32.192 ?       ?      0.000000       32.19193 
1 1 1 2   10 18 o 476.355 23.005 48.269  4.6408 0.0000  0.0000  48.269  4.6408 ?       ?      476.355 23.005 0.000000       23.00463 
1 1 1 2   10 19 o 397.825 19.064 33.629  3.2118 29.598  5.4447  35.780  3.9775 370.072 35.163 409.386 23.036 -39.31439      42.03698 
1 1 1 2   10 20 o 374.696 19.224 29.918  3.0401 29.693  5.2523  30.032  3.7281 370.828 33.817 374.807 23.608 -3.978485      41.24269 
1 1 1 2   10 21 o 903.005 19.606 173.402 7.4977 160.149 12.929  180.117 9.2033 863.669 35.348 919.435 23.636 -55.76636      42.52270 
1 1 1 2   10 22 o 342.949 19.765 25.121  2.8584 25.902  4.8536  24.707  3.5369 345.499 33.597 339.257 24.789 6.242279       41.75232 
1 1 1 2   10 23 o 862.088 19.670 158.443 7.1814 153.946 12.391  160.717 8.8122 843.755 34.678 866.816 24.006 -23.06030      42.17613 
1 1 1 2   10 24 o 236.960 39.166 12.566  3.7930 12.566  3.7930  0.0000  0.0000 236.960 39.166 ?       ?      0.000000       39.16611 
1 1 1 2   10 25 o 616.542 19.189 81.210  5.0103 89.797  8.6825  76.924  6.1347 643.317 31.869 598.481 24.205 44.83514       40.01910 
1 1 1 2   10 26 o 189.749 29.326 7.9911  2.2805 0.0000  0.0000  7.9911  2.2805 ?       ?      189.749 29.326 0.000000       29.32554 
1 1 1 2   10 27 o 246.207 21.573 13.148  2.2267 17.500  3.9232  11.080  2.7045 279.937 33.775 223.563 29.268 56.37381       44.69218 
1 1 1 2   10 28 o 347.250 20.037 26.042  2.9341 27.655  5.0353  25.213  3.6104 351.473 34.265 339.706 25.278 11.76685       42.57976 
1 1 1 2   10 29 o 372.433 19.510 30.005  3.0665 25.868  5.2586  32.137  3.7748 336.238 37.572 383.747 23.338 -47.50903      44.23045 
1 1 1 2   10 30 o 139.152 46.012 4.4902  3.1540 0.0000  0.0000  4.4902  3.1540 ?       ?      139.152 46.012 0.000000       46.01157 
1 1 1 2   11 0  o 954.101 15.039 193.194 6.0764 185.014 10.384  197.454 7.4931 931.493 26.324 964.023 18.354 -32.52930      32.09102 
1 1 1 2   11 1  f 661.745 17.549 93.016  4.9181 91.344  6.8742  94.769  7.0391 654.749 24.792 666.890 24.924 -12.14136      35.15448 
1 1 1 2   11 2  o 780.778 18.676 129.554 6.1754 131.786 8.6761  127.263 8.7918 786.120 26.061 772.339 26.880 13.78149       37.43922 
1 1 1 2   11 3  o 1144.99 21.470 278.986 10.411 286.633 14.700  271.292 14.746 1157.83 29.980 1126.08 30.921 31.75781       43.06849 
1 1 1 2   11 4  o 400.596 17.948 34.105  3.0449 35.291  4.2667  32.874  4.3467 406.063 24.932 391.607 26.364 14.45673       36.28581 
1 1 1 2   11 5  o 263.193 18.349 14.799  2.0324 14.335  2.8252  15.297  2.9258 257.802 26.244 266.388 26.277 -8.585114      37.13786 
1 1 1 2   11 6  o 341.758 18.894 24.926  2.7239 27.151  3.8052  22.587  3.9011 355.643 25.433 323.559 28.771 32.08401       38.40001 
1 1 1 2   11 7  o 193.264 21.140 8.0560  1.7020 7.0521  2.2871  9.3020  2.5479 178.643 31.376 206.101 30.078 -27.45731      43.46429 
1 1 1 2   11 8  o 377.129 28.023 30.690  4.4436 30.690  4.4436  0.0000  0.0000 377.129 28.023 ?       ?      0.000000       28.02284 
1 1 1 2   11 9  o 439.223 20.388 41.157  3.7924 43.479  5.2894  38.700  5.4402 449.145 27.947 422.900 30.582 26.24512       41.42847 
1 1 1 2   11 10 o 812.764 31.558 142.212 10.862 0.0000  0.0000  142.212 10.862 ?       ?      812.764 31.558 0.000000       31.55757 
1 1 1 2   11 11 o 663.746 21.516 93.895  6.0479 96.740  8.4775  90.947  8.6305 671.730 29.801 650.888 31.310 20.84186       43.22525 
1 1 1 2   11 12 o 638.539 31.259 87.268  8.4528 0.0000  0.0000  87.268  8.4528 ?       ?      638.539 31.259 0.000000       31.25868 
1 1 1 2   11 13 o 553.243 21.667 65.074  5.0764 60.316  7.1224  69.986  7.2371 530.460 31.853 571.921 29.985 -41.46027      43.74571 
1 1 1 2   11 14 o 554.338 21.965 65.294  5.1564 66.946  7.2102  63.564  7.3770 559.587 30.541 544.947 32.108 14.63977       44.31304 
1 1 1 2   11 15 o 307.682 22.900 20.226  2.9625 16.510  4.0878  24.337  4.2993 275.790 35.848 336.615 30.490 -60.82416      47.06058 
1 1 1 2   11 16 o 491.408 22.283 51.313  4.6372 42.221  6.4335  61.145  6.6900 443.349 34.538 534.893 29.650 -91.54333      45.51886 
1 1 1 2   11 17 o 446.896 31.664 42.832  5.9539 42.832  5.9539  0.0000  0.0000 446.896 31.664 ?       ?      0.000000       31.66442 
1 1 1 2   11 18 o 265.362 36.737 15.366  4.0177 0.0000  0.0000  15.366  4.0177 ?       ?      265.362 36.737 0.000000       36.73729 
1 1 1 2   11 19 o 260.585 20.939 14.533  2.2912 13.534  3.9083  15.055  2.8282 248.239 38.418 264.591 25.559 -16.35208      46.14279 
1 1 1 2   11 20 o 1025.47 20.123 223.605 8.7391 242.805 15.120  213.972 10.709 1064.64 33.535 1001.94 25.239 62.69916       41.97135 
1 1 1 2   11 21 o 506.554 18.841 54.556  4.0417 59.395  6.9674  52.102  4.9618 525.721 31.439 494.441 23.696 31.28000       39.36904 
1 1 1 2   11 22 o 460.447 19.112 45.131  3.7268 47.295  6.4349  44.039  4.5715 467.895 32.680 453.554 23.885 14.34042       40.47800 
1 1 1 2   11 23 o 599.461 19.190 76.605  4.8718 77.468  8.3358  76.157  6.0040 598.052 33.041 596.641 23.762 1.411377       40.69791 
1 1 1 2   11 24 o 253.251 37.423 14.265  3.8927 14.265  3.8927  0.0000  0.0000 253.251 37.423 ?       ?      0.000000       37.42316 
1 1 1 2   11 25 o 240.479 21.193 12.476  2.1362 14.503  3.6631  11.431  2.6297 255.749 34.718 228.577 27.735 27.17181       44.43619 
1 1 1 2   11 26 o 178.807 23.964 7.0091  1.7690 7.9753  3.0497  6.5193  2.1717 186.206 39.877 170.378 31.249 15.82803       50.66222 
1 1 1 2   11 27 o 212.855 23.049 9.8903  2.0445 12.704  3.5033  8.4369  2.5178 236.986 36.043 193.752 31.787 43.23358       48.05763 
1 1 1 2   11 28 o 166.600 25.490 6.1681  1.7412 7.8853  3.0395  5.3293  2.1244 183.537 40.217 152.188 33.837 31.34914       52.55813 
1 1 1 2   11 29 o 238.126 21.426 12.378  2.1375 9.5090  3.6964  13.820  2.6200 198.638 44.986 250.388 25.044 -51.74963      51.48737 
1 1 1 2   12 0  o 483.452 10.980 49.554  2.2480 51.700  3.1603  47.355  3.1984 493.531 15.121 472.266 15.992 21.26526       22.00850 
1 1 1 2   12 1  o 897.917 15.066 171.137 5.7289 179.841 9.9180  166.779 7.0182 918.385 25.501 885.826 18.708 32.55835       31.62740 
1 1 1 2   12 2  o 356.066 16.871 26.930  2.5440 25.687  3.5453  28.249  3.6525 346.332 24.327 363.345 23.870 -17.01282      34.08162 
1 1 1 2   12 3  o 730.428 18.641 113.422 5.7661 113.150 8.1104  113.700 8.1993 728.122 26.302 729.837 26.528 -1.714905      37.35702 
1 1 1 2   12 4  o 665.812 18.683 94.266  5.2681 99.637  7.4116  88.782  7.4893 683.248 25.615 644.581 27.436 38.66681       37.53459 
1 1 1 2   12 5  o 571.004 18.660 69.356  4.5122 74.643  6.3246  63.874  6.4393 591.249 25.259 545.734 27.956 45.51477       37.67687 
1 1 1 2   12 6  o 404.007 18.738 34.739  3.2060 33.411  4.4301  36.199  4.6455 394.303 26.687 410.454 26.874 -16.15125      37.87341 
1 1 1 2   12 7  o 125.264 29.682 3.5041  1.5505 3.5041  1.5505  0.0000  0.0000 125.264 29.682 ?       ?      0.000000       29.68205 
1 1 1 2   12 8  o 767.068 29.180 126.488 9.4789 126.488 9.4789  0.0000  0.0000 767.068 29.180 ?       ?      0.000000       29.17959 
1 1 1 2   12 9  o 601.113 29.778 77.731  7.5803 0.0000  0.0000  77.731  7.5803 ?       ?      601.113 29.778 0.000000       29.77750 
1 1 1 2   12 10 o 625.056 20.948 83.319  5.5450 88.216  7.7119  78.079  7.9786 641.255 28.398 601.635 31.424 39.62024       42.35435 
1 1 1 2   12 11 o 689.793 21.425 101.368 6.2587 97.549  8.7134  105.438 8.9956 674.573 30.501 701.380 30.285 -26.80664      42.98277 
1 1 1 2   12 12 o 764.689 31.523 125.092 10.208 0.0000  0.0000  125.092 10.208 ?       ?      764.689 31.523 0.000000       31.52324 
1 1 1 2   12 13 o 540.360 21.544 62.063  4.9302 54.916  6.8309  69.834  7.1228 506.146 32.034 571.491 29.531 -65.34476      43.56904 
1 1 1 2   12 14 o 269.044 23.174 15.498  2.6146 15.270  3.6194  15.747  3.7813 265.553 32.887 269.544 33.874 -3.991791      47.21234 
1 1 1 2   12 15 o 804.049 22.804 137.382 7.7649 137.627 10.845  137.124 11.123 803.401 31.875 801.776 32.758 1.624512       45.70670 
1 1 1 2   12 16 o 459.321 31.605 45.209  6.1104 45.209  6.1104  0.0000  0.0000 459.321 31.605 ?       ?      0.000000       31.60542 
1 1 1 2   12 17 o 226.217 25.489 11.029  2.3993 6.9951  3.3275  15.399  3.4629 176.925 44.463 266.830 31.236 -89.90512      54.33798 
1 1 1 2   12 18 o 284.267 35.439 17.567  4.1737 0.0000  0.0000  17.567  4.1737 ?       ?      284.267 35.439 0.000000       35.43924 
1 1 1 2   12 19 o 828.575 23.560 146.184 8.2671 147.048 11.532  145.271 11.858 828.844 32.853 823.503 34.002 5.339966       47.28074 
1 1 1 2   12 20 o 550.437 18.840 64.396  4.3917 64.746  7.5132  64.214  5.4127 548.981 32.461 549.117 23.276 -0.1358643     39.94312 
1 1 1 2   12 21 o 365.848 19.448 28.550  3.0023 28.306  5.1492  28.676  3.6955 361.569 34.029 365.964 23.977 -4.395294      41.62780 
1 1 1 2   12 22 o 349.589 19.939 26.119  2.9397 33.053  5.0810  22.630  3.6042 391.059 30.933 324.127 26.489 66.93182       40.72504 
1 1 1 2   12 23 o 506.017 18.894 54.588  4.0489 56.057  7.0281  53.859  4.9536 508.319 32.824 501.737 23.313 6.582672       40.26033 
1 1 1 2   12 24 o 338.089 34.830 25.102  4.9155 25.102  4.9155  0.0000  0.0000 338.089 34.830 ?       ?      0.000000       34.82992 
1 1 1 2   12 25 o 479.232 23.336 49.323  4.7360 0.0000  0.0000  49.323  4.7360 ?       ?      479.232 23.336 0.000000       23.33590 
1 1 1 2   12 26 o 155.682 26.765 5.3922  1.7010 3.3711  2.7150  6.6982  2.1824 125.736 42.703 172.728 30.973 -46.99226      52.75326 
1 1 1 2   12 27 o 370.347 19.892 29.561  3.1084 32.673  5.3489  27.974  3.8195 383.557 33.259 358.288 25.336 25.26981       41.81008 
1 1 1 2   12 28 o 175.402 24.629 6.8105  1.7790 4.9208  3.1448  7.6998  2.1574 145.233 45.777 185.476 28.368 -40.24239      53.85476 
1 1 1 2   12 29 o 217.793 22.439 10.405  2.0400 10.848  3.5732  10.190  2.4847 214.499 40.827 213.428 28.179 1.071091       49.60801 
1 1 1 2   13 0  o 443.543 10.714 41.710  2.0125 45.150  2.8448  38.264  2.8475 461.218 14.565 424.500 15.839 36.71802       21.51768 
1 1 1 2   13 1  o 569.894 13.371 68.911  3.2269 71.195  5.4966  67.710  3.9862 578.193 22.448 564.587 16.672 13.60638       27.96162 
1 1 1 2   13 2  o 501.549 13.616 53.380  2.8921 58.440  5.0418  50.899  3.5307 523.767 22.730 489.453 17.034 34.31390       28.40436 
1 1 1 2   13 3  o 834.010 19.066 147.941 6.7341 152.775 9.4589  142.972 9.5893 845.805 26.408 817.876 27.686 27.92920       38.26044 
1 1 1 2   13 4  o 498.054 17.845 52.744  3.7639 55.332  5.3016  50.114  5.3446 509.178 24.586 483.632 26.192 25.54617       35.92386 
1 1 1 2   13 5  o 683.847 18.994 99.532  5.5006 98.598  7.6750  100.519 7.8874 678.935 26.693 685.393 27.174 -6.457397      38.09130 
1 1 1 2   13 6  o 488.135 18.699 50.733  3.8654 50.034  5.3638  51.489  5.5755 482.758 26.335 489.580 26.996 -6.822876      37.71392 
1 1 1 2   13 7  o 459.633 27.014 45.466  5.2351 45.466  5.2351  0.0000  0.0000 459.633 27.014 ?       ?      0.000000       27.01364 
1 1 1 2   13 8  o 293.145 29.778 18.673  3.6454 0.0000  0.0000  18.673  3.6454 ?       ?      293.145 29.778 0.000000       29.77773 
1 1 1 2   13 9  o 315.245 30.107 21.560  3.9705 0.0000  0.0000  21.560  3.9705 ?       ?      315.245 30.107 0.000000       30.10704 
1 1 1 2   13 10 o 401.083 20.409 34.366  3.4551 34.890  4.8019  33.803  4.9753 402.508 28.352 395.786 29.904 6.721863       41.20799 
1 1 1 2   13 11 o 570.236 28.895 69.733  6.9550 69.733  6.9550  0.0000  0.0000 570.236 28.895 ?       ?      0.000000       28.89498 
1 1 1 2   13 12 o 330.911 21.430 23.386  2.9870 19.596  4.0756  27.783  4.3904 300.985 32.490 359.620 29.077 -58.63486      43.60118 
1 1 1 2   13 13 o 603.194 21.371 77.319  5.4592 78.094  7.6159  76.499  7.8296 605.202 29.715 598.019 31.022 7.183105       42.95783 
1 1 1 2   13 14 o 880.849 22.709 164.886 8.4713 161.043 11.802  168.970 12.167 868.970 32.070 890.057 32.279 -21.08673      45.50186 
1 1 1 2   13 15 o 1025.94 23.736 223.756 10.313 218.028 14.384  229.814 14.793 1010.72 33.605 1037.67 33.664 -26.94489      47.56605 
1 1 1 2   13 16 o 787.158 31.844 132.210 10.615 132.210 10.615  0.0000  0.0000 787.158 31.844 ?       ?      0.000000       31.84400 
1 1 1 2   13 17 o 218.644 38.241 10.537  3.4119 0.0000  0.0000  10.537  3.4119 ?       ?      218.644 38.241 0.000000       38.24111 
1 1 1 2   13 18 o 771.610 23.076 126.709 7.5405 122.366 10.515  131.309 10.819 756.317 32.828 783.520 32.607 -27.20319      46.27012 
1 1 1 2   13 19 o 573.809 22.821 70.093  5.5456 71.895  7.7199  68.171  7.9715 578.886 31.610 563.173 33.576 15.71234       46.11436 
1 1 1 2   13 20 o 448.731 23.186 42.999  4.3911 44.319  6.0700  41.549  6.3601 453.935 31.776 438.834 34.502 15.10037       46.90491 
1 1 1 2   13 21 o 358.233 19.347 27.381  2.9242 24.490  4.8981  28.983  3.6452 335.759 34.960 367.940 23.517 -32.18152      42.13332 
1 1 1 2   13 22 o 359.628 19.850 27.643  3.0115 27.857  5.1088  27.529  3.7281 357.815 34.128 357.965 24.744 -0.1507568     42.15463 
1 1 1 2   13 23 o 222.740 27.511 10.818  2.5399 12.293  3.5300  9.2337  3.6573 235.262 36.623 201.308 44.117 33.95372       57.33728 
1 1 1 2   13 24 f 599.280 23.157 76.992  5.8771 84.231  8.3150  69.765  8.3079 622.773 31.631 565.088 34.887 57.68573       47.09178 
1 1 1 2   13 25 o 136.239 33.595 4.2068  1.9261 0.0000  0.0000  4.2068  1.9261 ?       ?      136.239 33.595 0.000000       33.59464 
1 1 1 2   13 26 o 287.660 20.951 17.879  2.5348 20.716  4.2672  16.332  3.1509 305.239 33.566 272.829 27.653 32.41006       43.48959 
1 1 1 2   13 27 o 203.242 23.072 9.0349  1.9507 10.720  3.2343  8.0717  2.4455 216.921 36.504 189.332 31.615 27.58954       48.29146 
1 1 1 2   13 28 o 97.919  30.365 2.1234  1.3900 4.2379  2.1296  0.5541  1.8346 134.978 36.415 80.498  33.216 54.47971       49.28850 
1 1 1 2   13 29 o 494.668 19.432 52.843  4.0708 45.507  6.8848  56.786  5.0477 446.833 36.708 510.593 23.344 -63.76028      43.50186 
1 1 1 2   14 0  o 314.593 10.415 20.983  1.3876 20.530  1.9700  21.430  1.9547 310.962 14.959 317.726 14.528 -6.763458      20.85262 
1 1 1 2   14 1  o 253.672 12.776 13.687  1.3681 13.870  2.3328  13.591  1.6891 254.275 21.877 252.469 15.879 1.805984       27.03190 
1 1 1 2   14 2  o 275.244 13.169 16.077  1.5350 17.820  2.6357  15.182  1.8883 288.437 21.737 266.769 16.801 21.66815       27.47308 
1 1 1 2   14 3  f 284.521 17.158 17.270  2.0577 17.162  2.8590  17.386  2.9640 282.599 24.120 284.323 24.866 -1.722961      34.64278 
1 1 1 2   14 4  f 330.518 17.592 23.299  2.4535 20.719  3.4261  26.013  3.5151 310.200 26.329 348.273 23.979 -38.07297      35.61213 
1 1 1 2   14 5  o 427.272 18.015 38.852  3.2597 35.761  4.5375  42.148  4.6858 407.926 26.407 443.302 25.063 -35.37570      36.40708 
1 1 1 2   14 6  o 348.992 26.262 26.241  3.8530 26.241  3.8530  0.0000  0.0000 348.992 26.262 ?       ?      0.000000       26.26215 
1 1 1 2   14 7  o 444.655 18.969 42.142  3.5720 39.999  4.9391  44.491  5.1721 430.895 27.206 454.592 26.987 -23.69690      38.32068 
1 1 1 2   14 8  o 290.584 29.207 18.334  3.5455 0.0000  0.0000  18.334  3.5455 ?       ?      290.584 29.207 0.000000       29.20654 
1 1 1 2   14 9  o 295.818 20.630 18.751  2.5682 18.293  3.5345  19.265  3.7381 290.454 29.127 297.925 30.038 -7.470581      41.84079 
1 1 1 2   14 10 o 398.963 20.135 33.982  3.3910 33.409  4.6848  34.614  4.9146 394.006 28.265 400.883 29.148 -6.877625      40.60154 
1 1 1 2   14 11 o 922.831 30.790 182.259 12.033 182.259 12.033  0.0000  0.0000 922.831 30.790 ?       ?      0.000000       30.79008 
1 1 1 2   14 12 o 511.429 20.920 55.602  4.5309 50.994  6.2254  60.793  6.6069 487.813 30.285 532.959 29.386 -45.14563      42.19854 
1 1 1 2   14 13 f 832.089 22.036 147.145 7.7650 144.956 10.745  149.536 11.234 824.447 30.777 837.192 31.685 -12.74426      44.17133 
1 1 1 2   14 14 o 344.591 21.882 25.328  3.1767 22.383  4.3894  28.567  4.6032 322.321 32.605 364.940 30.052 -42.61862      44.34189 
1 1 1 2   14 15 o 1241.04 24.960 327.585 13.118 332.300 18.317  322.621 18.796 1247.35 34.675 1228.60 36.124 18.75159       50.07341 
1 1 1 2   14 16 o 448.468 30.824 43.104  5.8186 43.104  5.8186  0.0000  0.0000 448.468 30.824 ?       ?      0.000000       30.82379 
1 1 1 2   14 17 o 507.708 32.342 55.305  6.9176 0.0000  0.0000  55.305  6.9176 ?       ?      507.708 32.342 0.000000       32.34207 
1 1 1 2   14 18 o 615.477 22.514 80.612  5.8682 77.301  8.1157  84.240  8.4952 600.352 32.037 626.771 32.113 -26.41895      45.36085 
1 1 1 2   14 19 o 636.711 22.656 86.306  6.1089 89.251  8.5041  83.166  8.7812 645.952 31.088 622.186 33.449 23.76593       45.66497 
1 1 1 2   14 20 o 147.504 32.054 4.8373  1.9451 4.5876  2.5856  5.1628  2.9521 143.920 40.639 152.606 43.540 -8.686035      59.55932 
1 1 1 2   14 21 o 1123.31 25.117 269.465 11.948 272.898 16.714  265.877 17.087 1125.94 35.053 1110.69 36.326 15.24988       50.48087 
1 1 1 2   14 22 o 519.583 23.077 57.687  5.0778 54.518  7.0103  61.184  7.3648 501.657 33.186 531.670 32.871 -30.01306      46.70957 
1 1 1 2   14 23 o 242.661 27.122 12.809  2.7395 9.8096  3.7428  16.271  4.0206 207.493 43.961 271.430 35.855 -63.93707      56.72846 
1 1 1 2   14 24 o 310.639 24.773 20.859  3.2318 19.521  4.4300  22.380  4.7252 297.112 35.938 318.494 35.644 -21.38190      50.61662 
1 1 1 2   14 25 o 425.275 24.562 39.082  4.4047 0.0000  0.0000  39.082  4.4047 ?       ?      425.275 24.562 0.000000       24.56161 
1 1 1 2   14 26 o 548.955 19.226 64.666  4.4697 55.012  7.5395  69.897  5.5502 496.991 36.068 569.092 23.029 -72.10089      42.79269 
1 1 1 2   14 27 f 306.431 20.735 20.314  2.6749 22.960  4.4299  18.796  3.3558 320.831 33.079 292.376 27.423 28.45404       42.96778 
1 1 1 2   14 28 o 299.274 20.815 19.452  2.6216 18.535  4.3173  19.988  3.2997 284.831 36.641 301.254 26.123 -16.42325      44.99949 
1 1 1 2   14 29 o 180.830 32.109 7.4856  2.3688 5.3745  3.1957  10.060  3.5290 149.643 45.983 205.559 41.959 -55.91579      62.24955 
1 1 1 2   15 0  o 600.565 11.008 76.492  2.7997 77.152  3.9536  75.829  3.9653 602.684 15.490 597.472 15.672 5.211975       22.03505 
1 1 1 2   15 1  o 444.323 10.999 41.871  2.0697 41.432  2.9091  42.320  2.9452 441.637 15.554 446.341 15.581 -4.704102      22.01624 
1 1 1 2   15 2  f 220.746 13.387 10.381  1.2455 11.913  2.0937  9.5425  1.5496 235.525 21.219 211.128 17.488 24.39684       27.49695 
1 1 1 2   15 3  o 186.685 15.147 7.4525  1.1872 7.0564  1.9023  7.7052  1.5194 179.927 25.695 189.292 19.221 -9.364182      32.08853 
1 1 1 2   15 4  o 438.589 17.443 40.925  3.2398 41.258  4.5091  40.569  4.6580 438.727 24.365 434.806 25.407 3.920868       35.20145 
1 1 1 2   15 5  o 781.964 27.149 131.113 8.9906 131.113 8.9906  0.0000  0.0000 781.964 27.149 ?       ?      0.000000       27.14928 
1 1 1 2   15 6  o 399.291 18.333 33.968  3.1001 33.351  4.3040  34.633  4.4689 393.613 25.966 401.009 26.464 -7.396393      37.07537 
1 1 1 2   15 7  o 301.780 28.019 19.730  3.5400 0.0000  0.0000  19.730  3.5400 ?       ?      301.780 28.019 0.000000       28.01931 
1 1 1 2   15 8  f 352.039 19.295 26.494  2.8657 25.451  3.9752  27.622  4.1349 343.310 27.575 357.760 27.502 -14.44998      38.94532 
1 1 1 2   15 9  o 112.739 28.739 2.8303  1.3762 3.7145  1.8632  1.7687  2.0415 128.945 33.732 100.320 36.756 28.62531       49.88838 
1 1 1 2   15 10 o 462.233 20.105 45.481  3.9356 43.775  5.4318  47.368  5.7102 451.393 28.562 469.554 28.856 -18.16098      40.60121 
1 1 1 2   15 11 f 169.583 36.288 6.4027  2.5273 6.4027  2.5273  0.0000  0.0000 169.583 36.288 ?       ?      0.000000       36.28788 
1 1 1 2   15 12 o 592.608 20.726 74.631  5.2014 75.566  7.1908  73.605  7.5330 595.349 28.521 586.528 30.432 8.820984       41.70796 
1 1 1 2   15 13 o 268.680 21.973 15.441  2.4783 15.839  3.4534  15.019  3.5588 270.874 30.643 263.341 32.608 7.533508       44.74719 
1 1 1 2   15 14 o 489.526 21.077 50.901  4.3694 53.791  6.0240  47.693  6.3474 501.791 28.465 471.828 31.955 29.96219       42.79425 
1 1 1 2   15 15 f 1489.84 37.169 474.848 23.451 474.848 23.451  0.0000  0.0000 1489.84 37.169 ?       ?      0.000000       37.16914 
1 1 1 2   15 16 o 793.534 22.405 133.887 7.5295 138.469 10.469  128.978 10.837 805.542 30.688 776.993 32.935 28.54919       45.01616 
1 1 1 2   15 17 o 1142.21 35.264 279.450 17.058 0.0000  0.0000  279.450 17.058 ?       ?      1142.21 35.264 0.000000       35.26436 
1 1 1 2   15 18 o 1470.01 26.987 460.962 16.801 455.550 23.427  466.693 24.107 1456.10 37.991 1473.43 38.634 -17.33618      54.18399 
1 1 1 2   15 19 o 835.957 23.328 148.839 8.2586 146.406 11.451  151.475 11.922 826.778 32.706 840.742 33.483 -13.96326      46.80596 
1 1 1 2   15 20 o 748.443 22.986 119.348 7.2856 112.749 10.079  126.569 10.544 725.141 32.821 768.422 32.400 -43.27997      46.11910 
1 1 1 2   15 21 o 397.746 23.156 33.870  3.8836 31.990  5.3553  35.954  5.6403 384.269 33.235 407.614 32.956 -23.34552      46.80486 
1 1 1 2   15 22 o 559.821 22.982 67.000  5.4487 60.842  7.5067  73.857  7.9211 529.597 33.645 584.280 32.136 -54.68237      46.52655 
1 1 1 2   15 23 o 247.403 35.788 13.572  3.6407 13.572  3.6407  0.0000  0.0000 247.403 35.788 ?       ?      0.000000       35.78830 
1 1 1 2   15 24 o 209.248 23.024 9.5022  2.0065 8.1732  3.3354  10.256  2.5118 188.742 42.724 216.263 28.089 -27.52066      51.13031 
1 1 1 2   15 25 o 545.121 23.896 64.021  5.5165 0.0000  0.0000  64.021  5.5165 ?       ?      545.121 23.896 0.000000       23.89592 
1 1 1 2   15 26 o 415.680 19.294 37.101  3.3964 32.095  5.6783  39.890  4.2381 378.825 35.820 429.023 23.415 -50.19794      42.79392 
1 1 1 2   15 27 o 154.248 26.926 5.3273  1.6949 7.8331  2.8339  3.9317  2.1148 184.052 37.627 130.647 36.705 53.40488       52.56524 
1 1 1 2   15 28 o 619.591 19.390 82.836  5.0877 81.303  8.6102  83.659  6.3065 601.548 33.937 619.558 24.036 -18.01019      41.58672 
1 1 1 2   15 29 o 265.948 26.829 15.696  2.9803 17.397  4.0209  13.622  4.4399 275.764 35.236 237.625 45.780 38.13940       57.77036 
1 1 1 2   16 0  f 367.148 10.411 28.587  1.6188 29.529  2.2790  27.628  2.2997 372.880 14.432 360.633 15.058 12.24707       20.85763 
1 1 1 2   16 1  f 336.863 10.898 24.070  1.5547 23.852  2.1908  24.291  2.2065 335.039 15.441 338.115 15.410 -3.076202      21.81473 
1 1 1 2   16 2  o 361.809 13.267 27.793  2.0327 24.191  3.3661  29.860  2.5503 335.734 23.830 374.790 16.068 -39.05606      28.74073 
1 1 1 2   16 3  f 572.788 24.069 70.117  5.8384 70.117  5.8384  0.0000  0.0000 572.788 24.069 ?       ?      0.000000       24.06896 
1 1 1 2   16 4  o 318.878 24.973 21.892  3.3454 21.892  3.3454  0.0000  0.0000 318.878 24.973 ?       ?      0.000000       24.97264 
1 1 1 2   16 5  o 489.398 17.996 51.020  3.7297 54.669  5.2269  47.234  5.3237 505.329 24.425 468.413 26.951 36.91638       36.37207 
1 1 1 2   16 6  o 337.065 26.491 24.522  3.7510 0.0000  0.0000  24.522  3.7510 ?       ?      337.065 26.491 0.000000       26.49114 
1 1 1 2   16 7  o 681.172 19.302 98.930  5.5681 96.692  7.7733  101.289 7.9798 671.095 27.351 686.836 27.434 -15.74042      38.73949 
1 1 1 2   16 8  f 388.130 19.093 32.098  3.1383 32.279  4.3746  31.906  4.5046 387.152 26.847 384.657 27.841 2.495789       38.67707 
1 1 1 2   16 9  o 321.678 19.731 22.116  2.6750 23.489  3.6940  20.603  3.8787 330.319 26.633 308.502 30.071 21.81714       40.16934 
1 1 1 2   16 10 o 387.164 20.083 31.976  3.2816 34.377  4.5516  29.377  4.7356 400.315 27.006 369.212 30.562 31.10242       40.78409 
1 1 1 2   16 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   16 12 o 939.164 22.156 187.500 8.8119 184.840 12.182  190.418 12.762 930.758 30.905 944.461 31.908 -13.70233      44.42134 
1 1 1 2   16 13 o 268.510 21.760 15.418  2.4530 16.034  3.3521  14.708  3.5993 272.761 29.489 260.426 33.406 12.33456       44.55935 
1 1 1 2   16 14 o 1694.29 27.891 611.276 20.012 583.502 27.871  640.837 28.754 1650.52 39.874 1730.01 39.247 -79.49878      55.94809 
1 1 1 2   16 15 o 427.978 29.672 39.234  5.3448 39.234  5.3448  0.0000  0.0000 427.978 29.672 ?       ?      0.000000       29.67237 
1 1 1 2   16 16 o 410.952 32.106 36.293  5.5431 0.0000  0.0000  36.293  5.5431 ?       ?      410.952 32.106 0.000000       32.10568 
1 1 1 2   16 17 o 887.968 22.880 167.806 8.6038 167.220 11.919  168.443 12.433 884.331 31.825 887.212 33.090 -2.880493      45.91065 
1 1 1 2   16 18 o 469.891 21.923 46.989  4.3626 44.879  5.9984  49.359  6.3565 457.015 31.179 479.311 31.491 -22.29587      44.31462 
1 1 1 2   16 19 o 971.953 23.667 201.272 9.7418 192.714 13.476  210.640 14.100 948.125 33.561 991.230 33.588 -43.10492      47.48186 
1 1 1 2   16 20 o 599.507 22.590 76.584  5.7354 64.940  7.8417  89.977  8.4101 548.901 33.900 648.110 30.641 -99.20923      45.69610 
1 1 1 2   16 21 o 758.006 23.079 122.668 7.4085 126.547 10.265  118.452 10.703 767.154 31.597 741.284 34.093 25.86987       46.48375 
1 1 1 2   16 22 o 318.012 24.470 21.785  3.2702 23.038  4.4791  20.354  4.7856 324.885 33.014 303.667 38.048 21.21802       50.37429 
1 1 1 2   16 23 o 293.516 33.566 18.933  4.0973 18.933  4.0973  0.0000  0.0000 293.516 33.566 ?       ?      0.000000       33.56593 
1 1 1 2   16 24 o 446.793 34.488 43.813  6.4750 0.0000  0.0000  43.813  6.4750 ?       ?      446.793 34.488 0.000000       34.48772 
1 1 1 2   16 25 o 502.154 19.194 54.034  4.0817 48.072  6.7144  57.529  5.1406 466.547 34.222 516.613 23.497 -50.06598      41.51231 
1 1 1 2   16 26 o 349.005 20.130 26.280  2.9626 25.617  4.9425  26.652  3.7013 338.324 35.003 349.668 25.163 -11.34445      43.10883 
1 1 1 2   16 27 o 373.586 19.822 30.141  3.1249 28.375  5.1990  31.139  3.9100 355.221 35.016 377.784 24.573 -22.56308      42.77767 
1 1 1 2   16 28 o 138.799 29.663 4.4137  1.6907 2.2562  2.7311  5.7542  2.1528 110.771 42.119 157.702 33.280 -46.93111      53.68076 
1 1 1 2   16 29 o 73.585  31.715 0.0000  1.7952 0.0000  1.7952  0.0000  0.0000 73.585  31.715 ?       ?      0.000000       31.71526 
1 1 1 2   17 0  o 277.276 12.140 16.318  1.4255 14.724  1.7208  19.803  2.5449 262.740 15.534 304.227 19.862 -41.48721      25.21533 
1 1 1 2   17 1  o 311.165 12.579 20.555  1.6576 18.669  2.0101  24.563  2.9306 295.873 16.103 338.828 20.521 -42.95532      26.08435 
1 1 1 2   17 2  o 179.689 26.095 7.0544  1.9277 7.0544  1.9277  0.0000  0.0000 179.689 26.095 ?       ?      0.000000       26.09515 
1 1 1 2   17 3  o 242.395 25.507 12.720  2.5791 12.720  2.5791  0.0000  0.0000 242.395 25.507 ?       ?      0.000000       25.50749 
1 1 1 2   17 4  o 317.405 18.049 21.531  2.4161 0.0000  0.0000  21.531  2.4161 ?       ?      317.405 18.049 0.000000       18.04880 
1 1 1 2   17 5  o 728.277 26.983 113.879 8.3221 0.0000  0.0000  113.879 8.3221 ?       ?      728.277 26.983 0.000000       26.98310 
1 1 1 2   17 6  o 569.660 18.369 69.159  4.4314 72.345  6.2194  65.875  6.3155 580.960 25.279 553.925 26.922 27.03516       36.93008 
1 1 1 2   17 7  o 524.878 18.668 58.699  4.1496 56.352  5.7918  61.174  5.9483 511.924 26.809 534.203 26.293 -22.27866      37.55045 
1 1 1 2   17 8  o 354.612 19.090 26.856  2.8563 26.391  3.9635  27.360  4.1198 350.032 26.945 356.310 27.516 -6.278229      38.51167 
1 1 1 2   17 9  o 297.679 20.116 18.949  2.5211 17.657  3.5199  20.310  3.6126 285.647 29.524 306.851 28.113 -21.20450      40.76712 
1 1 1 2   17 10 o 377.495 19.881 30.386  3.1671 30.971  4.3686  29.738  4.5982 379.960 27.332 371.888 29.437 8.072815       40.16946 
1 1 1 2   17 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   17 12 o 886.800 21.791 167.124 8.1836 173.022 11.335  160.704 11.827 900.912 29.710 867.746 32.184 33.16516       43.80109 
1 1 1 2   17 13 o 530.430 20.631 59.759  4.6343 56.294  6.3726  63.648  6.7516 513.181 29.446 545.793 29.317 -32.61255      41.55195 
1 1 1 2   17 14 o 572.024 29.088 69.902  7.0233 69.902  7.0233  0.0000  0.0000 572.024 29.088 ?       ?      0.000000       29.08806 
1 1 1 2   17 15 o 580.413 21.245 71.595  5.2219 70.265  7.1698  73.099  7.6207 573.250 29.635 584.481 30.898 -11.23114      42.81225 
1 1 1 2   17 16 o 777.724 32.157 129.285 10.591 0.0000  0.0000  129.285 10.591 ?       ?      777.724 32.157 0.000000       32.15741 
1 1 1 2   17 17 o 502.011 21.586 53.614  4.5892 56.907  6.3474  50.008  6.6430 515.390 29.201 482.298 32.717 33.09216       43.85363 
1 1 1 2   17 18 o 465.321 21.936 46.087  4.3226 38.106  5.8978  55.350  6.3539 420.405 33.402 508.013 29.663 -87.60736      44.67199 
1 1 1 2   17 19 f 510.741 22.069 55.542  4.7734 51.147  6.5330  60.576  6.9914 487.666 31.808 531.029 31.226 -43.36282      44.57356 
1 1 1 2   17 20 o 235.180 25.237 11.942  2.4742 9.0138  3.3091  15.655  3.7260 200.773 40.319 267.918 33.577 -67.14482      52.46949 
1 1 1 2   17 21 o 335.071 23.861 24.117  3.3638 27.572  4.6815  20.428  4.8366 356.642 31.313 304.678 38.333 51.96457       49.49689 
1 1 1 2   17 22 o 689.861 23.000 101.864 6.7194 95.500  9.2020  109.134 9.8350 664.331 32.708 710.175 32.701 -45.84412      46.25142 
1 1 1 2   17 23 o 245.886 35.618 13.435  3.6009 13.435  3.6009  0.0000  0.0000 245.886 35.618 ?       ?      0.000000       35.61787 
1 1 1 2   17 24 o 473.545 34.299 49.251  6.8318 0.0000  0.0000  49.251  6.8318 ?       ?      473.545 34.299 0.000000       34.29923 
1 1 1 2   17 25 o 387.364 23.868 32.519  3.8963 31.329  5.2981  33.919  5.7502 375.988 33.629 390.540 35.144 -14.55203      48.64128 
1 1 1 2   17 26 o 303.261 20.543 19.888  2.6228 20.090  4.2853  19.767  3.3165 299.330 34.433 300.342 26.341 -1.012360      43.35292 
1 1 1 2   17 27 o 253.657 22.309 14.038  2.3721 10.406  3.7258  16.513  3.0760 209.563 43.410 273.522 26.903 -63.95949      51.07069 
1 1 1 2   17 28 o 491.912 19.256 52.266  4.0115 56.359  6.6399  49.914  5.0341 501.864 31.399 476.916 25.012 24.94803       40.14387 
1 1 1 2   18 0  o 491.316 15.122 51.322  3.1463 51.322  3.1463  0.0000  0.0000 491.316 15.122 ?       ?      0.000000       15.12160 
1 1 1 2   18 1  o 220.594 13.732 10.379  1.2765 10.334  1.5742  10.465  2.1811 219.685 17.054 219.926 23.798 -0.2412567     29.27799 
1 1 1 2   18 2  o 728.219 14.205 112.721 4.3807 113.248 7.7193  112.471 5.3204 726.979 25.073 726.742 17.287 0.2371826      30.45513 
1 1 1 2   18 3  o 428.516 17.050 39.099  3.0941 0.0000  0.0000  39.099  3.0941 ?       ?      428.516 17.050 0.000000       17.04996 
1 1 1 2   18 4  o 225.206 19.488 10.898  1.8403 0.0000  0.0000  10.898  1.8403 ?       ?      225.206 19.488 0.000000       19.48816 
1 1 1 2   18 5  f 610.658 14.705 79.295  3.8028 78.047  6.4792  79.951  4.6969 603.326 25.359 612.512 18.107 -9.185608      31.15969 
1 1 1 2   18 6  o 408.242 18.027 35.501  3.1166 32.350  4.3433  38.846  4.4748 387.466 26.631 425.176 24.961 -37.71002      36.50035 
1 1 1 2   18 7  o 95.897  27.517 2.0176  1.1759 2.9257  1.6434  1.0650  1.6832 114.965 32.377 85.626  32.944 29.33914       46.19059 
1 1 1 2   18 8  o 391.298 18.862 32.588  3.1257 36.663  4.3675  28.309  4.4753 413.498 25.059 362.232 29.428 51.26587       38.65215 
1 1 1 2   18 9  o 180.972 23.534 7.0956  1.7610 7.5426  2.4038  6.5777  2.5871 185.100 31.812 171.714 36.690 13.38632       48.56123 
1 1 1 2   18 10 o 267.480 20.931 15.306  2.3521 14.235  3.2288  16.518  3.4333 256.391 30.324 276.540 29.786 -20.14981      42.50583 
1 1 1 2   18 11 o 181.416 38.088 7.3116  2.8331 0.0000  0.0000  7.3116  2.8331 ?       ?      181.416 38.088 0.000000       38.08846 
1 1 1 2   18 12 o 776.539 21.031 128.109 6.9162 137.511 9.5534  117.754 10.026 803.492 28.076 742.904 31.867 60.58752       42.47064 
1 1 1 2   18 13 o 750.240 21.254 119.582 6.7527 121.736 9.3475  117.232 9.7658 755.847 29.202 741.419 31.103 14.42773       42.66335 
1 1 1 2   18 14 o 194.128 34.806 8.2941  2.7563 8.2941  2.7563  0.0000  0.0000 194.128 34.806 ?       ?      0.000000       34.80571 
1 1 1 2   18 15 o 430.812 31.394 39.838  5.6883 0.0000  0.0000  39.838  5.6883 ?       ?      430.812 31.394 0.000000       31.39396 
1 1 1 2   18 16 o 504.078 21.324 54.040  4.5520 46.849  6.1718  62.617  6.7408 467.133 31.380 540.740 29.548 -73.60730      43.10218 
1 1 1 2   18 17 o 914.820 22.656 178.166 8.7774 167.947 12.091  189.553 12.763 885.761 32.233 941.078 32.023 -55.31677      45.43618 
1 1 1 2   18 18 o 844.440 22.577 151.847 8.0737 147.243 11.090  157.040 11.777 829.306 31.577 856.177 32.481 -26.87091      45.29972 
1 1 1 2   18 19 o 415.196 22.384 36.826  3.9213 34.412  5.2812  39.791  5.8542 399.583 31.464 429.634 32.414 -30.05133      45.17349 
1 1 1 2   18 20 o 700.919 22.506 104.782 6.6804 104.346 9.1727  105.274 9.7487 697.191 31.067 699.705 32.899 -2.513855      45.24962 
1 1 1 2   18 21 o 196.082 27.364 8.4031  2.2103 7.0988  2.9344  10.114  3.3606 177.211 40.044 212.630 38.748 -35.41978      55.72162 
1 1 1 2   18 22 o 332.736 32.005 24.169  4.4542 24.169  4.4542  0.0000  0.0000 332.736 32.005 ?       ?      0.000000       32.00459 
1 1 1 2   18 23 o 416.542 22.878 37.326  4.0202 27.014  5.3832  50.331  6.0452 349.546 36.924 481.380 29.800 -131.8333      47.44954 
1 1 1 2   18 24 o 446.827 35.053 44.036  6.5798 0.0000  0.0000  44.036  6.5798 ?       ?      446.827 35.053 0.000000       35.05334 
1 1 1 2   18 25 o 511.159 23.085 56.418  4.9972 53.966  6.8056  59.287  7.3613 494.188 32.703 517.351 33.784 -23.16302      47.02005 
1 1 1 2   18 26 f 478.729 23.561 49.642  4.7766 54.267  6.5973  44.546  6.9249 495.227 31.622 444.910 37.092 50.31668       48.74174 
1 1 1 2   18 27 o 286.224 20.826 17.804  2.5071 15.722  3.9899  19.162  3.2228 261.776 37.024 294.901 26.075 -33.12451      45.28399 
1 1 1 2   18 28 o 149.164 28.829 5.0750  1.7552 1.5645  2.6972  7.6536  2.3117 102.878 41.061 183.197 30.896 -80.31861      51.38621 
1 1 1 2   19 0  f 384.068 15.628 31.383  2.5419 30.813  3.6153  31.941  3.5746 378.921 22.633 385.965 21.960 -7.043976      31.53564 
1 1 1 2   19 1  o 169.510 18.891 6.2011  1.3330 0.0000  0.0000  6.2011  1.3330 ?       ?      169.510 18.891 0.000000       18.89058 
1 1 1 2   19 2  o 243.111 17.605 12.656  1.8003 0.0000  0.0000  12.656  1.8003 ?       ?      243.111 17.605 0.000000       17.60547 
1 1 1 2   19 3  o 255.917 14.615 13.972  1.5773 16.031  2.6451  12.836  1.9650 272.750 23.117 244.585 19.123 28.16493       30.00132 
1 1 1 2   19 4  o 539.777 14.251 61.941  3.2577 60.410  5.5088  62.765  4.0398 530.993 24.498 542.790 17.575 -11.79724      30.14969 
1 1 1 2   19 5  o 303.909 15.157 19.641  1.9508 19.096  3.3514  19.921  2.3991 297.124 26.927 305.169 18.653 -8.045929      32.75720 
1 1 1 2   19 6  o 475.273 18.057 48.101  3.6345 46.131  5.0649  50.192  5.2183 463.360 25.915 483.472 25.578 -20.11188      36.41186 
1 1 1 2   19 7  o 708.611 19.028 106.909 5.7100 106.897 7.9926  106.922 8.1604 706.697 26.706 706.616 27.270 0.8117676E-01  38.16892 
1 1 1 2   19 8  o 486.604 18.782 50.365  3.8705 54.133  5.4230  46.453  5.5260 502.881 25.548 465.183 28.183 37.69806       38.03967 
1 1 1 2   19 9  o 550.394 19.099 64.396  4.4517 64.478  6.1971  64.308  6.3990 549.738 26.619 548.169 27.654 1.568176       38.38365 
1 1 1 2   19 10 o 713.037 19.930 108.040 6.0181 102.377 8.3139  114.274 8.7226 692.839 28.335 732.028 28.137 -39.18890      39.93203 
1 1 1 2   19 11 o 324.673 29.724 22.660  4.0416 0.0000  0.0000  22.660  4.0416 ?       ?      324.673 29.724 0.000000       29.72418 
1 1 1 2   19 12 o 501.471 20.233 53.411  4.2969 54.645  5.8512  51.966  6.3306 505.858 27.416 492.767 30.486 13.09137       40.99994 
1 1 1 2   19 13 o 1136.35 32.052 275.571 15.425 275.571 15.425  0.0000  0.0000 1136.35 32.052 ?       ?      0.000000       32.05247 
1 1 1 2   19 14 o 855.197 21.759 155.467 7.8804 149.876 10.824  161.771 11.495 838.112 30.497 870.588 31.179 -32.47620      43.61374 
1 1 1 2   19 15 o 762.310 31.409 124.160 10.140 0.0000  0.0000  124.160 10.140 ?       ?      762.310 31.409 0.000000       31.40946 
1 1 1 2   19 16 o 308.447 22.701 20.359  2.9444 21.871  4.0445  18.653  4.2948 318.494 30.353 292.919 35.336 25.57474       46.58270 
1 1 1 2   19 17 o 933.473 22.778 185.559 9.0047 185.921 12.399  185.155 13.099 932.008 31.414 929.478 33.278 2.529907       45.76282 
1 1 1 2   19 18 o 888.496 22.689 168.143 8.5371 163.429 11.745  173.424 12.431 873.500 31.751 899.526 32.632 -26.02594      45.52932 
1 1 1 2   19 19 o 393.448 22.160 33.085  3.6773 29.303  4.9705  37.658  5.4657 368.248 32.196 418.052 31.095 -49.80383      44.76039 
1 1 1 2   19 20 o 610.359 22.029 79.479  5.6942 71.918  7.7195  88.504  8.4332 577.462 31.688 641.715 31.032 -64.25330      44.35176 
1 1 1 2   19 21 o 305.684 23.546 20.113  3.0246 23.200  4.1627  16.660  4.4023 326.751 30.432 273.986 39.046 52.76511       49.50454 
1 1 1 2   19 22 o 339.341 31.753 25.151  4.5101 25.151  4.5101  0.0000  0.0000 339.341 31.753 ?       ?      0.000000       31.75313 
1 1 1 2   19 23 o 404.923 34.304 36.016  5.8272 0.0000  0.0000  36.016  5.8272 ?       ?      404.923 34.304 0.000000       34.30380 
1 1 1 2   19 24 o 515.088 22.925 57.112  5.0007 58.426  6.8324  55.596  7.3388 516.447 31.388 501.863 34.744 14.58414       46.82232 
1 1 1 2   19 25 o 187.724 29.532 7.8821  2.2702 5.5448  3.0221  10.909  3.4393 153.832 44.106 217.970 38.675 -64.13774      58.66132 
1 1 1 2   19 26 o 284.023 25.304 17.679  3.0118 21.002  4.1379  13.936  4.3920 306.622 32.355 243.565 44.208 63.05714       54.78327 
1 1 1 2   19 27 o 227.935 26.684 11.544  2.5270 10.735  3.2954  12.697  3.9369 214.935 37.572 232.014 41.596 -17.07906      56.05268 
1 1 1 2   19 28 o 156.495 32.160 5.6624  2.0601 6.4831  2.7506  4.6138  3.1092 164.700 39.864 139.757 45.658 24.94296       60.61183 
1 1 1 2   20 0  o 170.420 14.421 6.2194  1.0310 5.8059  1.7133  6.4541  1.2909 162.584 25.740 173.122 17.864 -10.53827      31.33202 
1 1 1 2   20 1  o 227.639 13.931 11.057  1.3365 11.045  2.1577  11.065  1.7024 226.064 22.852 227.166 17.839 -1.101715      28.99039 
1 1 1 2   20 2  o 588.630 11.663 73.570  2.9074 75.147  4.0913  71.960  4.1325 594.134 16.260 581.295 16.787 12.83923       23.37100 
1 1 1 2   20 3  o 334.064 13.687 23.718  1.9364 24.239  3.2275  23.424  2.4204 335.866 22.827 331.183 17.317 4.682953       28.65231 
1 1 1 2   20 4  o 229.443 15.649 11.250  1.5115 12.352  2.5418  10.647  1.8801 238.748 25.536 222.495 20.172 16.25264       32.54242 
1 1 1 2   20 5  o 439.026 14.501 40.964  2.6960 37.602  4.5682  42.760  3.3397 418.164 25.924 448.160 17.597 -29.99551      31.33196 
1 1 1 2   20 6  f 150.574 19.167 4.9050  1.1945 4.1763  1.8538  5.4223  1.5620 136.629 32.511 157.531 24.187 -20.90158      40.52090 
1 1 1 2   20 7  o 785.893 19.292 131.441 6.4209 123.035 8.9778  140.243 9.1868 758.251 27.959 809.892 26.785 -51.64124      38.71850 
1 1 1 2   20 8  o 419.187 18.570 37.355  3.2965 36.226  4.5757  38.572  4.7533 411.151 26.419 424.273 26.589 -13.12201      37.48255 
1 1 1 2   20 9  o 1028.56 21.309 224.999 9.2820 214.290 12.960  236.277 13.300 1001.47 30.558 1051.81 29.859 -50.33435      42.72406 
1 1 1 2   20 10 o 936.426 20.965 186.365 8.3141 184.604 11.574  188.242 11.951 930.342 29.377 939.309 30.042 -8.967529      42.01863 
1 1 1 2   20 11 o 666.538 28.761 94.673  8.1184 0.0000  0.0000  94.673  8.1184 ?       ?      666.538 28.761 0.000000       28.76071 
1 1 1 2   20 12 o 613.711 27.620 80.217  7.1785 80.217  7.1785  0.0000  0.0000 613.711 27.620 ?       ?      0.000000       27.62031 
1 1 1 2   20 13 o 661.949 28.375 93.382  7.9545 93.382  7.9545  0.0000  0.0000 661.949 28.375 ?       ?      0.000000       28.37543 
1 1 1 2   20 14 o 456.533 30.396 44.680  5.8431 0.0000  0.0000  44.680  5.8431 ?       ?      456.533 30.396 0.000000       30.39598 
1 1 1 2   20 15 o 395.219 21.338 33.316  3.5581 40.378  4.9738  25.915  5.0920 434.293 27.180 346.029 35.240 88.26471       44.50430 
1 1 1 2   20 16 o 265.560 22.533 15.120  2.5102 14.184  3.3502  16.318  3.7905 255.574 31.629 274.037 33.350 -18.46330      45.96272 
1 1 1 2   20 17 o 802.492 21.905 137.106 7.4444 126.429 10.197  149.289 10.893 768.439 31.335 835.181 30.798 -66.74164      43.93652 
1 1 1 2   20 18 o 582.468 21.498 72.234  5.3028 74.190  7.2400  69.971  7.7887 588.973 29.027 570.410 32.376 18.56360       43.48296 
1 1 1 2   20 19 o 517.869 21.671 57.151  4.7527 55.239  6.4903  59.362  6.9791 506.704 30.386 525.023 31.535 -18.31921      43.79255 
1 1 1 2   20 20 o 447.208 22.044 42.699  4.1749 37.013  5.6127  49.741  6.2463 413.230 32.331 479.840 30.903 -66.60971      44.72408 
1 1 1 2   20 21 o 616.591 22.019 81.315  5.7495 75.804  7.8056  87.852  8.5010 591.559 31.269 637.577 31.484 -46.01807      44.37331 
1 1 1 2   20 22 o 193.815 37.828 8.4875  2.9934 8.4875  2.9934  0.0000  0.0000 193.815 37.828 ?       ?      0.000000       37.82754 
1 1 1 2   20 23 o 457.806 34.019 46.025  6.5484 0.0000  0.0000  46.025  6.5484 ?       ?      457.806 34.019 0.000000       34.01943 
1 1 1 2   20 24 f 359.628 23.744 28.028  3.5958 32.977  4.8619  22.052  5.3426 387.728 29.839 311.397 41.550 76.33063       51.15387 
1 1 1 2   20 25 f 333.736 24.490 24.282  3.4372 25.800  4.6974  22.531  5.0426 340.180 33.023 314.827 38.633 25.35327       50.82308 
1 1 1 2   20 26 o 331.214 24.262 23.967  3.3794 24.209  4.7212  23.713  4.8395 327.845 34.523 323.662 35.912 4.183441       49.81532 
1 1 1 2   20 27 o 372.997 23.915 30.493  3.7578 27.660  5.1141  33.818  5.5400 348.439 35.137 386.225 34.226 -37.78702      49.05119 
1 1 1 2   20 28 f 181.983 30.549 7.5570  2.2709 7.6134  3.0711  7.4888  3.3733 177.854 41.528 174.781 45.227 3.073242       61.40083 
1 1 1 2   21 0  o 699.591 11.297 103.901 3.3471 107.016 4.7443  100.815 4.7227 709.130 15.798 688.188 16.205 20.94257       22.63121 
1 1 1 2   21 1  o 398.840 11.115 33.766  1.8774 33.466  2.6350  34.075  2.6755 396.585 15.689 400.162 15.788 -3.576385      22.25762 
1 1 1 2   21 2  o 286.730 12.133 17.458  1.4732 17.745  2.0726  17.165  2.0945 288.179 17.059 283.343 17.541 4.836548       24.46862 
1 1 1 2   21 3  f 684.938 13.931 99.700  4.0409 97.702  6.7564  100.812 5.0421 675.753 23.609 688.071 17.303 -12.31830      29.27137 
1 1 1 2   21 4  o 161.440 18.183 5.6195  1.2215 7.0354  2.0343  4.8211  1.5275 179.070 27.721 148.070 25.267 31.00063       37.50834 
1 1 1 2   21 5  o 273.056 15.605 15.899  1.7970 17.528  3.0188  15.006  2.2363 285.193 25.256 264.617 20.106 20.57553       32.28229 
1 1 1 2   21 6  o 226.761 17.177 10.995  1.6372 10.716  2.6835  11.160  2.0664 221.784 29.288 227.820 21.679 -6.036438      36.43856 
1 1 1 2   21 7  o 266.023 16.331 15.089  1.8309 12.247  2.9935  16.787  2.3142 237.298 30.494 280.243 19.623 -42.94514      36.26211 
1 1 1 2   21 8  o 772.892 19.395 126.977 6.3483 120.593 8.8548  133.729 9.1062 751.686 27.816 791.713 27.160 -40.02704      38.87662 
1 1 1 2   21 9  o 510.619 18.802 55.382  4.0658 53.231  5.6347  57.720  5.8726 499.098 26.756 519.768 26.771 -20.67020      37.84908 
1 1 1 2   21 10 o 216.045 30.211 10.144  2.6885 10.144  2.6885  0.0000  0.0000 216.045 30.211 ?       ?      0.000000       30.21091 
1 1 1 2   21 11 o 483.619 27.283 49.963  5.5649 49.963  5.5649  0.0000  0.0000 483.619 27.283 ?       ?      0.000000       27.28258 
1 1 1 2   21 12 o 921.464 29.669 181.043 11.578 181.043 11.578  0.0000  0.0000 921.464 29.669 ?       ?      0.000000       29.66934 
1 1 1 2   21 13 o 235.075 34.986 12.072  3.3768 0.0000  0.0000  12.072  3.3768 ?       ?      235.075 34.986 0.000000       34.98623 
1 1 1 2   21 14 o 425.569 30.383 38.870  5.4397 0.0000  0.0000  38.870  5.4397 ?       ?      425.569 30.383 0.000000       30.38278 
1 1 1 2   21 15 o 254.217 22.674 13.864  2.4154 15.946  3.3764  11.682  3.4569 271.588 29.849 230.572 36.627 41.01534       47.24928 
1 1 1 2   21 16 o 480.968 21.005 49.224  4.2784 51.013  5.8171  47.117  6.3147 487.860 28.277 467.981 32.056 19.87897       42.74528 
1 1 1 2   21 17 f 304.729 22.089 19.877  2.8312 20.482  3.8198  19.139  4.2176 308.057 29.646 296.742 34.187 11.31473       45.25066 
1 1 1 2   21 18 o 408.997 21.597 35.726  3.7274 33.307  5.0095  38.725  5.5791 393.218 30.317 423.935 31.297 -30.71750      43.57292 
1 1 1 2   21 19 o 243.309 23.948 12.761  2.4356 8.9549  3.2251  17.813  3.7155 200.040 39.472 286.364 31.140 -86.32430      50.27656 
1 1 1 2   21 20 o 589.352 21.722 74.191  5.4215 67.851  7.2948  82.015  8.1032 560.329 30.861 616.080 31.159 -55.75134      43.85518 
1 1 1 2   21 21 o 431.243 30.337 40.374  5.5052 40.374  5.5052  0.0000  0.0000 431.243 30.337 ?       ?      0.000000       30.33741 
1 1 1 2   21 22 o 400.666 22.300 34.528  3.7688 29.762  5.0196  40.687  5.7059 368.637 32.485 431.855 31.415 -63.21841      45.19051 
1 1 1 2   21 23 o 286.571 41.646 18.597  4.9062 0.0000  0.0000  18.597  4.9062 ?       ?      286.571 41.646 0.000000       41.64564 
1 1 1 2   21 24 o 383.901 23.098 31.934  3.7377 36.408  5.1200  26.829  5.4690 406.947 29.919 345.028 38.062 61.91855       48.41376 
1 1 1 2   21 25 o 277.637 25.215 16.887  2.9323 12.394  4.0165  22.015  4.2910 230.230 42.769 313.917 32.760 -83.68726      53.87407 
1 1 1 2   21 26 o 390.797 23.787 33.341  3.9181 32.920  5.3092  33.845  5.8060 383.040 33.053 386.513 35.880 -3.473206      48.78415 
1 1 1 2   21 27 o 221.484 28.795 11.032  2.6370 12.123  3.5726  9.7255  3.9086 227.488 38.454 198.655 47.164 28.83263       60.85361 
1 1 1 2   21 28 o 495.245 23.321 53.592  4.8912 55.802  6.6131  50.922  7.2677 498.228 31.505 471.018 36.725 27.20923       48.38659 
1 1 1 2   22 0  f 296.586 11.033 18.669  1.3857 21.076  1.9404  16.165  1.9796 314.851 14.553 275.007 17.082 39.84375       22.44048 
1 1 1 2   22 1  o 311.803 11.583 20.638  1.5295 19.804  2.1529  21.489  2.1734 304.561 16.756 317.369 16.225 -12.80774      23.32409 
1 1 1 2   22 2  o 502.250 11.574 53.542  2.4617 56.106  3.4857  50.991  3.4770 513.569 16.027 489.494 16.773 24.07526       23.19937 
1 1 1 2   22 3  o 321.687 12.025 21.965  1.6382 21.240  2.3235  22.683  2.3102 315.429 17.462 326.096 16.785 -10.66763      24.22135 
1 1 1 2   22 4  o 332.514 14.226 23.486  2.0032 25.679  3.3060  22.213  2.5181 346.132 22.679 322.507 18.515 23.62531       29.27666 
1 1 1 2   22 5  o 422.353 14.367 37.880  2.5697 33.359  4.2653  40.456  3.2196 394.293 25.684 436.183 17.430 -41.89050      31.03950 
1 1 1 2   22 6  f 393.735 15.013 32.917  2.5033 30.278  4.2141  34.355  3.1119 375.595 26.667 401.981 18.280 -26.38562      32.33085 
1 1 1 2   22 7  o 328.949 15.712 22.973  2.1888 19.665  3.6060  24.902  2.7542 302.136 28.520 341.742 19.107 -39.60605      34.32880 
1 1 1 2   22 8  o 585.147 18.785 72.739  4.6551 73.902  6.5041  71.518  6.6654 588.912 26.079 579.180 27.175 9.732056       37.66426 
1 1 1 2   22 9  o 792.400 19.727 133.387 6.6200 135.518 9.2229  131.122 9.5078 797.523 27.307 784.239 28.628 13.28369       39.56300 
1 1 1 2   22 10 f 233.142 29.771 11.774  2.8723 11.774  2.8723  0.0000  0.0000 233.142 29.771 ?       ?      0.000000       29.77110 
1 1 1 2   22 11 o 768.086 28.166 125.708 9.1619 125.708 9.1619  0.0000  0.0000 768.086 28.166 ?       ?      0.000000       28.16647 
1 1 1 2   22 12 o 676.349 28.982 97.542  8.3014 0.0000  0.0000  97.542  8.3014 ?       ?      676.349 28.982 0.000000       28.98247 
1 1 1 2   22 13 o 982.047 31.747 206.070 13.203 0.0000  0.0000  206.070 13.203 ?       ?      982.047 31.747 0.000000       31.74703 
1 1 1 2   22 14 f 266.829 22.575 15.259  2.5271 17.813  3.4516  12.308  3.7100 287.466 28.737 236.473 38.361 50.99211       47.93089 
1 1 1 2   22 15 o 466.484 20.923 46.297  4.1334 44.891  5.6173  47.957  6.1040 457.424 29.150 472.526 30.669 -15.10178      42.31190 
1 1 1 2   22 16 o 419.306 21.125 37.515  3.7392 36.560  5.1286  38.599  5.4635 412.404 29.561 423.570 30.665 -11.16583      42.59376 
1 1 1 2   22 17 o 335.544 21.520 24.071  3.0419 25.196  4.0694  22.647  4.5793 342.147 28.340 323.077 33.978 19.06982       44.24604 
1 1 1 2   22 18 o 407.048 21.305 35.393  3.6599 37.212  4.9604  33.219  5.4220 416.039 28.323 391.902 32.976 24.13660       43.46917 
1 1 1 2   22 19 o 197.016 25.065 8.4332  2.0440 9.1478  2.7701  7.5791  3.0283 203.500 33.295 183.386 40.110 20.11450       52.12819 
1 1 1 2   22 20 o 456.622 21.760 44.574  4.2078 41.698  5.6483  48.161  6.3075 438.607 30.600 471.093 31.802 -32.48602      44.13346 
1 1 1 2   22 21 o 413.177 30.179 37.120  5.2440 37.120  5.2440  0.0000  0.0000 413.177 30.179 ?       ?      0.000000       30.17857 
1 1 1 2   22 22 o 426.731 33.345 39.937  5.9781 0.0000  0.0000  39.937  5.9781 ?       ?      426.731 33.345 0.000000       33.34487 
1 1 1 2   22 23 o 283.050 24.545 17.413  2.9131 14.806  3.7156  21.573  4.6929 257.357 34.999 310.846 36.335 -53.48907      50.45002 
1 1 1 2   22 24 o 144.917 35.146 4.8410  2.1348 5.4504  2.6686  3.7581  3.5576 152.744 40.570 134.608 48.641 18.13605       63.33965 
1 1 1 2   22 25 o 103.858 35.315 2.2787  1.8568 4.2938  2.5488  0.0000  2.7104 136.154 40.907 89.862  38.850 46.29240       56.41504 
1 1 1 2   22 26 f 206.993 27.600 9.5774  2.3591 10.820  3.1967  8.0916  3.4959 216.438 36.151 182.560 45.406 33.87827       58.04019 
1 1 1 2   22 27 o 220.460 26.944 10.869  2.4633 9.1726  3.3382  12.896  3.6497 195.401 41.616 234.732 38.015 -39.33054      56.36493 
1 1 1 2   23 0  o 193.104 12.978 7.9541  1.0551 7.2859  1.4655  8.6732  1.5204 183.951 19.091 201.029 18.051 -17.07848      26.27357 
1 1 1 2   23 1  o 617.185 11.340 80.831  2.9640 80.773  4.1920  80.888  4.1916 616.302 16.061 616.742 16.048 -0.4392090     22.70503 
1 1 1 2   23 2  o 98.368  20.520 2.1389  0.8272 1.8835  1.2477  2.3392  1.1048 93.638  28.726 102.576 25.534 -8.938339      38.43356 
1 1 1 2   23 3  o 219.364 13.939 10.260  1.2882 8.9454  1.8159  11.592  1.8278 203.750 21.363 232.624 18.712 -28.87364      28.39921 
1 1 1 2   23 4  o 735.698 14.375 114.929 4.4788 119.905 7.5203  112.194 5.5755 749.661 23.688 726.293 18.127 23.36768       29.82808 
1 1 1 2   23 5  o 705.626 14.628 105.704 4.3711 103.505 7.3152  106.926 5.4514 696.551 24.799 709.193 18.151 -12.64178      30.73164 
1 1 1 2   23 6  o 431.127 14.791 39.450  2.7005 40.038  4.5116  39.122  3.3711 432.720 24.722 429.040 18.554 3.680359       30.90996 
1 1 1 2   23 7  o 946.576 16.369 190.212 6.5619 183.831 11.182  193.563 8.1039 928.168 28.449 954.267 20.053 -26.09869      34.80597 
1 1 1 2   23 8  f 878.918 19.770 164.127 7.3586 159.831 10.245  168.705 10.576 865.882 27.939 889.567 28.074 -23.68488      39.60719 
1 1 1 2   23 9  o 705.500 26.882 106.011 8.0317 106.011 8.0317  0.0000  0.0000 705.500 26.882 ?       ?      0.000000       26.88234 
1 1 1 2   23 10 o 124.157 35.546 3.3746  1.9641 3.3746  1.9641  0.0000  0.0000 124.157 35.546 ?       ?      0.000000       35.54614 
1 1 1 2   23 11 o 463.223 19.340 45.577  3.7940 43.356  5.2391  48.025  5.5016 450.248 27.610 473.966 27.528 -23.71765      38.98813 
1 1 1 2   23 12 o 598.638 28.630 76.434  7.2583 0.0000  0.0000  76.434  7.2583 ?       ?      598.638 28.630 0.000000       28.63020 
1 1 1 2   23 13 o 630.815 20.248 84.595  5.4091 88.840  7.4746  79.928  7.8376 645.393 27.348 611.671 30.257 33.72150       40.78411 
1 1 1 2   23 14 o 513.298 20.284 56.034  4.4092 56.531  6.0197  55.459  6.4765 513.858 27.765 508.436 30.215 5.421844       41.03471 
1 1 1 2   23 15 o 544.871 20.693 63.173  4.7749 58.900  6.4931  68.207  7.0464 524.018 29.378 563.963 29.607 -39.94580      41.70866 
1 1 1 2   23 16 o 214.837 24.610 9.9702  2.1987 8.8336  2.9846  11.319  3.2513 199.635 36.653 227.021 34.939 -27.38603      50.63740 
1 1 1 2   23 17 o 223.684 24.547 10.801  2.2871 11.916  3.1387  9.5396  3.3395 233.473 32.637 206.921 39.551 26.55185       51.27847 
1 1 1 2   23 18 o 145.946 28.536 4.7175  1.7005 3.4174  2.2879  6.3222  2.5419 125.733 38.953 167.983 36.753 -42.24966      53.55472 
1 1 1 2   23 19 o 81.127  30.494 1.0563  1.4217 -0.8460 1.8853  3.5640  2.1647 69.084  31.009 127.052 37.591 -57.96839      48.73031 
1 1 1 2   23 20 o 171.446 36.108 6.6282  2.5388 6.6282  2.5388  0.0000  0.0000 171.446 36.108 ?       ?      0.000000       36.10761 
1 1 1 2   23 21 o 1043.46 23.596 233.831 10.427 207.153 14.187  265.176 15.378 974.494 34.377 1103.92 32.893 -129.4291      47.57850 
1 1 1 2   23 22 o 427.911 34.924 40.372  6.2737 0.0000  0.0000  40.372  6.2737 ?       ?      427.911 34.924 0.000000       34.92434 
1 1 1 2   23 23 o 266.022 24.993 15.440  2.7827 12.638  3.5167  20.132  4.5509 236.539 36.264 299.427 36.654 -62.88776      51.56158 
1 1 1 2   23 24 o 160.522 32.348 5.8799  2.1230 8.2011  2.8148  2.8170  3.2333 188.756 36.534 122.226 45.978 66.53053       58.72549 
1 1 1 2   23 25 o 64.097  28.488 -0.4705 1.5503 0.2685  1.8388  -2.2866 2.8826 77.486  32.700 77.354  36.040 0.1323395      48.66384 
1 1 1 2   23 26 o 215.384 28.333 10.413  2.5216 9.1416  3.4555  11.862  3.6880 194.796 43.035 224.113 40.342 -29.31696      58.98679 
1 1 1 2   23 27 o 191.795 30.233 8.3839  2.3743 4.0002  3.2610  13.329  3.4637 132.587 46.718 240.137 35.095 -107.5505      58.43129 
1 1 1 2   24 0  o 910.115 12.288 175.791 4.7361 173.705 6.6956  177.880 6.7000 903.641 17.496 914.484 17.300 -10.84320      24.60539 
1 1 1 2   24 1  o 527.207 11.153 58.961  2.4902 61.581  3.5419  56.400  3.5017 538.334 15.536 515.132 16.051 23.20227       22.33876 
1 1 1 2   24 2  o 465.532 11.457 45.973  2.2587 44.973  3.1968  46.969  3.1916 460.005 16.410 470.141 16.030 -10.13528      22.94042 
1 1 1 2   24 3  o 639.497 12.178 86.760  3.2980 84.804  4.6395  88.758  4.6892 631.628 17.345 646.215 17.135 -14.58728      24.38106 
1 1 1 2   24 4  o 466.112 13.600 46.105  2.6845 49.223  4.5087  44.392  3.3414 480.749 22.146 457.068 17.263 23.68039       28.07883 
1 1 1 2   24 5  o 473.527 14.060 47.580  2.8195 49.461  4.6955  46.519  3.5259 481.944 23.006 467.921 17.793 14.02328       29.08381 
1 1 1 2   24 6  o 292.898 15.992 18.264  1.9761 15.393  3.2006  20.033  2.5121 267.050 28.754 306.413 19.460 -39.36328      34.71970 
1 1 1 2   24 7  o 325.072 18.859 22.521  2.5851 23.229  3.6414  21.802  3.6705 329.164 26.343 318.655 27.468 10.50940       38.05819 
1 1 1 2   24 8  o 383.477 19.846 31.323  3.2119 30.936  4.3441  31.790  4.7703 380.111 27.166 384.974 29.484 -4.862640      40.09092 
1 1 1 2   24 9  o 345.061 20.088 25.380  2.9228 30.441  3.8508  18.501  4.4890 377.498 24.216 291.684 37.187 85.81433       44.37601 
1 1 1 2   24 10 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   24 11 o 88.368  34.650 0.9840  1.8894 0.0000  0.0000  0.9840  1.8894 ?       ?      88.368  34.650 0.000000       34.64967 
1 1 1 2   24 12 o 796.287 20.480 134.799 6.9063 132.549 9.5658  137.248 9.9815 788.111 28.661 801.799 29.396 -13.68781      41.05564 
1 1 1 2   24 13 o 975.205 21.674 202.364 8.9510 206.043 12.453  198.432 12.875 981.851 29.950 963.048 31.567 18.80249       43.51427 
1 1 1 2   24 14 o 1184.22 23.166 298.750 11.618 288.543 16.079  309.901 16.806 1160.33 32.721 1202.38 33.005 -42.05225      46.47591 
1 1 1 2   24 15 f 616.899 20.672 80.998  5.4005 72.602  7.3764  90.698  7.9283 581.642 30.049 651.234 28.747 -69.59119      41.58551 
1 1 1 2   24 16 o 651.374 20.907 90.333  5.7673 97.147  7.9400  82.722  8.3911 674.085 27.814 620.257 32.054 53.82794       42.43928 
1 1 1 2   24 17 o 519.954 21.132 57.595  4.6531 58.402  6.3521  56.662  6.8354 521.438 28.878 512.864 31.626 8.573669       42.82679 
1 1 1 2   24 18 o 407.102 21.390 35.452  3.6748 34.114  5.0307  36.983  5.3808 397.344 30.120 413.578 30.946 -16.23395      43.18434 
1 1 1 2   24 19 o 245.794 23.670 13.052  2.4334 12.766  3.4076  13.350  3.4760 240.417 34.453 245.999 34.299 -5.581497      48.61549 
1 1 1 2   24 20 o 258.702 31.658 14.709  3.3960 14.709  3.3960  0.0000  0.0000 258.702 31.658 ?       ?      0.000000       31.65832 
1 1 1 2   24 21 o 123.969 40.123 3.3299  2.4037 0.0000  0.0000  3.3299  2.4037 ?       ?      123.969 40.123 0.000000       40.12285 
1 1 1 2   24 22 o 234.600 25.590 12.023  2.5012 11.914  3.3050  12.170  3.8263 230.552 34.946 230.970 40.601 -0.4183807     53.56892 
1 1 1 2   24 23 o 137.140 34.335 4.3206  1.9895 2.4739  2.4959  7.5388  3.2948 112.394 40.722 178.809 43.847 -66.41456      59.84032 
1 1 1 2   24 24 o 155.805 35.188 5.6154  2.2669 6.6620  2.9402  4.0810  3.5598 167.932 41.566 137.297 48.764 30.63416       64.07558 
1 1 1 2   24 25 o 432.070 23.611 40.741  4.3039 34.441  5.6671  49.326  6.6157 390.514 34.626 468.638 33.556 -78.12485      48.21834 
1 1 1 2   24 26 o 166.788 30.893 6.3893  2.1017 3.8282  2.7688  9.8714  3.2285 128.839 43.128 204.401 38.714 -75.56197      57.95539 
1 1 1 2   24 27 o 307.546 25.158 20.934  3.2479 18.588  4.4401  23.635  4.7636 281.982 38.162 320.146 35.745 -38.16418      52.28802 
1 1 1 2   25 0  o 402.161 11.311 34.303  1.9264 37.485  2.7085  31.046  2.7405 420.115 15.224 382.199 16.932 37.91556       22.76952 
1 1 1 2   25 1  o 418.247 11.310 37.101  2.0032 38.234  2.8466  35.989  2.8196 424.257 15.844 411.588 16.176 12.66913       22.64276 
1 1 1 2   25 2  o 306.776 11.795 19.961  1.5324 21.459  2.2138  18.583  2.1233 317.398 16.527 295.241 17.054 22.15750       23.74832 
1 1 1 2   25 3  o 734.636 12.416 114.475 3.8629 108.828 5.4365  120.233 5.4897 715.614 17.939 752.281 17.232 -36.66718      24.87434 
1 1 1 2   25 4  o 387.465 12.427 31.840  2.0392 32.043  2.8793  31.637  2.8884 388.385 17.506 385.908 17.674 2.477203       24.87609 
1 1 1 2   25 5  o 568.167 17.331 68.552  4.1700 71.299  5.6721  65.322  6.1516 578.781 23.141 553.584 26.240 25.19757       34.98644 
1 1 1 2   25 6  o 793.069 25.328 133.946 8.5067 133.946 8.5067  0.0000  0.0000 793.069 25.328 ?       ?      0.000000       25.32845 
1 1 1 2   25 7  o 832.617 18.977 147.243 6.6912 143.115 9.2495  151.774 9.6916 819.647 26.647 843.991 27.115 -24.34387      38.01714 
1 1 1 2   25 8  o 708.297 19.102 106.550 5.7298 108.402 7.8854  104.479 8.3401 713.495 26.097 700.148 28.128 13.34644       38.36963 
1 1 1 2   25 9  o 469.880 19.715 46.905  3.9231 0.0000  0.0000  46.905  3.9231 ?       ?      469.880 19.715 0.000000       19.71492 
1 1 1 2   25 10 o 309.726 36.267 20.819  4.6669 0.0000  0.0000  20.819  4.6669 ?       ?      309.726 36.267 0.000000       36.26676 
1 1 1 2   25 11 o 475.413 19.126 48.024  3.8508 47.619  5.3359  48.464  5.5628 471.871 26.813 475.894 27.722 -4.023071      38.56723 
1 1 1 2   25 12 o 854.927 20.654 155.446 7.4779 163.946 10.418  146.411 10.740 876.368 28.071 827.536 30.646 48.83185       41.55896 
1 1 1 2   25 13 o 473.569 19.979 47.700  4.0068 45.814  5.5326  49.781  5.8104 462.214 28.402 481.837 28.603 -19.62299      40.30922 
1 1 1 2   25 14 o 428.322 20.302 39.039  3.6827 34.453  4.9963  44.494  5.4493 400.195 29.692 455.341 28.401 -55.14673      41.08793 
1 1 1 2   25 15 o 837.585 21.225 149.388 7.5289 147.507 10.381  151.477 10.936 830.116 29.529 840.842 30.710 -10.72601      42.60401 
1 1 1 2   25 16 o 239.841 24.396 12.400  2.4435 10.999  3.5224  13.699  3.3924 222.674 38.761 250.555 32.755 -27.88094      50.74773 
1 1 1 2   25 17 o 279.725 22.710 16.804  2.6670 17.522  3.6955  16.023  3.8529 283.953 31.249 270.642 34.393 13.31104       46.46882 
1 1 1 2   25 18 o 464.057 21.325 45.980  4.1909 43.123  5.7141  49.306  6.1652 446.527 30.398 477.514 30.649 -30.98700      43.16731 
1 1 1 2   25 19 o 569.326 28.933 70.075  6.9530 70.075  6.9530  0.0000  0.0000 569.326 28.933 ?       ?      0.000000       28.93324 
1 1 1 2   25 20 o 129.153 33.764 3.7679  1.8675 1.9578  2.7206  5.3808  2.5681 109.967 41.984 153.503 39.327 -43.53533      57.52690 
1 1 1 2   25 21 o 498.360 33.311 54.494  6.9898 0.0000  0.0000  54.494  6.9898 ?       ?      498.360 33.311 0.000000       33.31113 
1 1 1 2   25 22 o 220.318 25.875 10.646  2.3682 13.025  3.0387  6.9659  3.7795 242.566 30.238 171.846 49.341 70.71950       57.86943 
1 1 1 2   25 23 o 151.178 34.537 5.2671  2.1627 4.9226  2.8242  5.7556  3.3629 145.214 42.930 156.081 47.009 -10.86726      63.66203 
1 1 1 2   25 24 o 286.176 25.241 17.980  3.0277 18.641  3.9277  17.011  4.7529 288.028 32.784 269.549 43.088 18.47885       54.14256 
1 1 1 2   25 25 o 428.510 23.297 40.135  4.2119 38.337  5.5414  42.595  6.4814 413.182 31.917 432.604 35.697 -19.42218      47.88454 
1 1 1 2   25 26 o 474.127 23.076 49.172  4.6334 45.078  6.1145  54.692  7.1009 445.975 32.601 489.555 34.471 -43.58014      47.44511 
1 1 1 2   26 0  f 805.753 12.042 137.699 4.1092 134.623 5.7878  140.824 5.8352 796.032 17.169 814.198 16.923 -18.16663      24.10718 
1 1 1 2   26 1  o 693.910 11.731 102.112 3.4472 100.346 4.8521  103.912 4.8985 687.354 16.669 699.476 16.537 -12.12219      23.47997 
1 1 1 2   26 2  o 354.802 11.719 26.694  1.7608 26.122  2.4963  27.261  2.4841 350.711 16.808 358.302 16.371 -7.591095      23.46283 
1 1 1 2   26 3  o 365.377 12.081 28.309  1.8693 26.203  2.6630  30.355  2.6245 350.752 17.988 378.117 16.390 -27.36530      24.33537 
1 1 1 2   26 4  o 433.922 17.781 39.989  3.2675 39.989  3.2675  0.0000  0.0000 433.922 17.781 ?       ?      0.000000       17.78143 
1 1 1 2   26 5  o 532.236 23.366 60.276  5.2665 60.276  5.2665  0.0000  0.0000 532.236 23.366 ?       ?      0.000000       23.36555 
1 1 1 2   26 6  o 466.962 17.628 46.296  3.4861 49.103  4.7354  42.974  5.1509 480.433 23.275 448.251 27.264 32.18237       35.84706 
1 1 1 2   26 7  o 351.019 15.845 26.145  2.3554 27.068  3.7839  25.562  3.0096 355.691 25.285 346.219 20.620 9.472656       32.62655 
1 1 1 2   26 8  o 412.558 19.617 36.160  3.4274 0.0000  0.0000  36.160  3.4274 ?       ?      412.558 19.617 0.000000       19.61721 
1 1 1 2   26 9  o 350.988 21.370 26.288  3.1613 0.0000  0.0000  26.288  3.1613 ?       ?      350.988 21.370 0.000000       21.37010 
1 1 1 2   26 10 o 715.070 20.332 108.696 6.1572 0.0000  0.0000  108.696 6.1572 ?       ?      715.070 20.332 0.000000       20.33236 
1 1 1 2   26 11 o 681.274 19.502 98.662  5.6267 97.934  7.8086  99.448  8.1148 677.511 27.215 682.560 28.073 -5.049194      39.09964 
1 1 1 2   26 12 o 430.805 19.770 39.470  3.6069 37.109  4.9270  42.196  5.2948 415.872 28.141 443.543 28.336 -27.67099      39.93576 
1 1 1 2   26 13 o 1043.44 21.835 231.852 9.6484 227.273 13.373  236.823 13.935 1030.25 30.650 1051.43 31.295 -21.17578      43.80376 
1 1 1 2   26 14 o 220.942 24.663 10.542  2.2683 9.1205  3.0443  12.316  3.4010 202.826 36.797 236.936 34.944 -34.10959      50.74554 
1 1 1 2   26 15 o 399.348 20.861 34.052  3.5158 35.647  4.8555  32.295  5.0974 407.215 28.332 386.827 31.387 20.38760       42.28292 
1 1 1 2   26 16 o 125.068 33.377 3.4815  1.8007 8.5227  2.7218  -0.4422 2.4013 196.348 33.963 82.911  36.199 113.4373       49.63652 
1 1 1 2   26 17 o 749.058 21.274 119.713 6.7484 125.041 9.2721  113.711 9.8407 763.187 28.688 726.585 31.981 36.60132       42.96300 
1 1 1 2   26 18 o 322.386 30.446 22.612  4.1075 22.612  4.1075  0.0000  0.0000 322.386 30.446 ?       ?      0.000000       30.44640 
1 1 1 2   26 19 o 492.341 29.534 52.588  6.1294 52.588  6.1294  0.0000  0.0000 492.341 29.534 ?       ?      0.000000       29.53373 
1 1 1 2   26 20 o 153.471 43.749 5.3958  2.9818 0.0000  0.0000  5.3958  2.9818 ?       ?      153.471 43.749 0.000000       43.74881 
1 1 1 2   26 21 o 747.485 22.162 120.120 7.0154 113.822 9.4532  127.841 10.467 722.505 30.896 764.664 32.322 -42.15930      44.71272 
1 1 1 2   26 22 o 123.008 35.368 3.4422  1.9408 1.1720  2.5246  6.7220  3.0345 98.192  39.536 169.304 42.412 -71.11224      57.98179 
1 1 1 2   26 23 o 192.203 29.086 8.2802  2.2935 8.5602  2.9969  7.8844  3.5630 191.971 38.206 181.051 46.290 10.91998       60.02071 
1 1 1 2   26 24 o 213.127 28.964 10.173  2.5465 11.676  3.2843  7.9093  4.0322 225.670 35.542 179.119 50.809 46.55133       62.00643 
1 1 1 2   26 25 o 370.784 23.534 30.168  3.6763 28.672  4.8332  32.221  5.6630 355.933 32.420 374.615 36.144 -18.68219      48.55377 
1 1 1 2   26 26 o 269.166 26.632 16.172  2.9959 15.515  3.9298  17.084  4.6295 257.627 37.088 266.914 42.372 -9.287048      56.31059 
1 1 1 2   27 0  o 820.999 13.882 143.002 4.8264 140.850 5.9181  147.277 8.3399 814.380 17.160 831.638 23.680 -17.25800      29.24396 
1 1 1 2   27 1  o 210.708 17.278 9.4916  1.5282 9.0131  1.8144  10.660  2.8351 204.773 21.231 221.210 31.125 -16.43658      37.67635 
1 1 1 2   27 2  o 875.184 17.963 162.689 6.6578 162.689 6.6578  0.0000  0.0000 875.184 17.963 ?       ?      0.000000       17.96330 
1 1 1 2   27 3  f 233.734 19.612 11.690  1.9233 11.690  1.9233  0.0000  0.0000 233.734 19.612 ?       ?      0.000000       19.61212 
1 1 1 2   27 4  o 224.404 17.494 10.756  1.6493 11.005  1.9686  10.171  3.0211 226.601 20.744 215.463 34.256 11.13864       40.04755 
1 1 1 2   27 5  o 380.407 14.518 30.698  2.3388 26.798  3.7614  33.156  2.9862 353.876 25.265 395.158 17.845 -41.28259      30.93144 
1 1 1 2   27 6  o 495.023 18.321 52.039  3.8408 0.0000  0.0000  52.039  3.8408 ?       ?      495.023 18.321 0.000000       18.32116 
1 1 1 2   27 7  o 529.870 19.081 59.641  4.2816 0.0000  0.0000  59.641  4.2816 ?       ?      529.870 19.081 0.000000       19.08072 
1 1 1 2   27 8  o 176.295 21.320 6.7036  1.5594 8.8316  2.4606  5.2752  2.0159 201.297 29.761 154.336 31.897 46.96069       43.62544 
1 1 1 2   27 9  o 926.687 16.652 182.321 6.5350 188.645 11.003  178.875 8.1230 940.429 27.627 917.182 20.913 23.24701       34.65006 
1 1 1 2   27 10 o 704.205 20.238 105.449 6.0353 0.0000  0.0000  105.449 6.0353 ?       ?      704.205 20.238 0.000000       20.23757 
1 1 1 2   27 11 o 472.323 16.581 47.383  3.3167 43.875  5.3058  49.633  4.2492 452.418 27.828 482.986 20.774 -30.56757      34.72699 
1 1 1 2   27 12 o 592.716 19.473 74.726  4.8879 76.385  6.7695  72.918  7.0650 598.070 26.728 583.987 28.567 14.08270       39.12083 
1 1 1 2   27 13 o 323.100 20.852 22.318  2.8380 20.317  3.8795  24.620  4.1626 306.544 30.280 337.910 29.380 -31.36639      42.19086 
1 1 1 2   27 14 o 328.937 20.834 23.132  2.8872 23.361  3.9811  22.878  4.1934 329.137 28.853 325.284 30.808 3.852753       42.20896 
1 1 1 2   27 15 o 672.317 20.580 96.273  5.8596 87.862  8.0164  105.922 8.5864 640.293 29.563 703.232 28.831 -62.93921      41.29473 
1 1 1 2   27 16 o 254.191 22.532 13.896  2.4003 15.138  3.3677  12.614  3.4221 263.728 30.729 239.462 34.761 24.26601       46.39627 
1 1 1 2   27 17 o 693.708 21.059 102.758 6.1867 107.273 8.5264  97.738  8.9908 706.330 28.505 673.057 31.543 33.27313       42.51438 
1 1 1 2   27 18 o 445.096 29.037 42.925  5.4433 42.925  5.4433  0.0000  0.0000 445.096 29.037 ?       ?      0.000000       29.03684 
1 1 1 2   27 19 o 409.831 32.508 36.767  5.5958 0.0000  0.0000  36.767  5.5958 ?       ?      409.831 32.508 0.000000       32.50813 
1 1 1 2   27 20 f 250.240 24.371 13.612  2.5499 14.693  3.4031  12.229  3.8505 257.812 31.846 231.782 40.713 26.03046       51.68860 
1 1 1 2   27 21 o 340.959 22.344 25.138  3.2084 21.285  4.1798  30.663  5.0059 310.072 32.306 372.830 32.015 -62.75809      45.48222 
1 1 1 2   27 22 o 112.650 34.353 2.8502  1.7877 3.9818  2.3148  1.1775  2.8143 131.551 38.859 101.726 41.458 29.82506       56.82259 
1 1 1 2   27 23 o 317.632 23.347 22.023  3.1185 21.826  4.1196  22.288  4.7726 312.395 31.573 312.873 36.718 -0.4783936     48.42575 
1 1 1 2   27 24 o 185.100 30.389 7.7799  2.2994 6.5295  3.0069  9.5410  3.5685 164.701 42.740 199.254 43.509 -34.55219      60.98974 
1 1 1 2   27 25 o 442.886 22.800 42.994  4.2619 42.088  5.6015  44.240  6.5676 432.206 30.805 438.759 35.654 -6.553101      47.11864 
1 1 1 2   27 26 o 248.465 26.320 13.797  2.7273 12.986  3.4806  15.087  4.3898 235.799 35.996 249.787 43.053 -13.98831      56.11874 
1 1 1 2   28 0  o 770.937 17.105 126.193 5.5844 126.193 5.5844  0.0000  0.0000 770.937 17.105 ?       ?      0.000000       17.10472 
1 1 1 2   28 1  o 341.149 13.852 24.687  2.0012 23.437  2.4445  27.228  3.4847 331.769 17.460 356.965 23.177 -25.19595      29.01735 
1 1 1 2   28 2  o 850.246 12.514 153.294 4.5059 158.285 6.4044  148.402 6.3405 863.385 17.516 835.944 17.910 27.44116       25.05172 
1 1 1 2   28 3  o 1198.29 20.539 305.200 10.423 0.0000  0.0000  305.200 10.423 ?       ?      1198.29 20.539 0.000000       20.53905 
1 1 1 2   28 4  o 620.777 17.407 81.818  4.5762 0.0000  0.0000  81.818  4.5762 ?       ?      620.777 17.407 0.000000       17.40726 
1 1 1 2   28 5  o 666.810 18.221 94.429  5.1455 0.0000  0.0000  94.429  5.1455 ?       ?      666.810 18.221 0.000000       18.22141 
1 1 1 2   28 6  o 848.300 15.193 152.694 5.4580 145.740 9.0110  156.724 6.8594 827.144 25.725 858.935 18.857 -31.79120      31.89609 
1 1 1 2   28 7  f 625.919 14.869 83.129  3.9413 96.592  6.5130  75.350  4.9507 673.753 22.826 595.455 19.633 78.29803       30.10774 
1 1 1 2   28 8  o 220.091 18.742 10.366  1.7302 13.150  2.7490  8.5400  2.2266 246.927 26.714 198.293 27.234 48.63445       38.14898 
1 1 1 2   28 9  o 696.024 15.812 102.848 4.6608 114.106 7.7779  96.541  5.8218 731.678 25.101 673.760 20.404 57.91888       32.34807 
1 1 1 2   28 10 o 983.333 21.428 205.803 8.9232 0.0000  0.0000  205.803 8.9232 ?       ?      983.333 21.428 0.000000       21.42768 
1 1 1 2   28 11 o 236.421 19.515 11.970  1.9364 13.537  3.0041  10.856  2.5328 249.973 28.911 223.810 27.287 26.16299       39.75516 
1 1 1 2   28 12 o 417.324 16.923 37.012  2.9909 41.757  4.7492  33.894  3.8503 441.528 25.508 398.101 22.935 43.42728       34.30231 
1 1 1 2   28 13 o 107.782 33.147 2.4967  1.6603 1.3570  2.1542  4.1641  2.6055 96.783  37.261 137.863 41.346 -41.08011      55.65827 
1 1 1 2   28 14 o 151.723 30.374 5.1069  1.8836 3.3555  2.5060  7.3813  2.8557 126.238 40.978 181.594 38.337 -55.35543      56.11509 
1 1 1 2   28 15 o 383.332 20.861 31.409  3.3738 27.663  4.6262  35.666  4.9309 357.618 30.848 406.896 28.802 -49.27817      42.20384 
1 1 1 2   28 16 o 180.898 27.068 7.1678  2.0099 4.4392  2.8220  9.9770  2.8633 141.852 43.139 212.695 32.846 -70.84219      54.22020 
1 1 1 2   28 17 o 261.815 31.953 15.035  3.4693 15.035  3.4693  0.0000  0.0000 261.815 31.953 ?       ?      0.000000       31.95276 
1 1 1 2   28 18 o 254.714 34.243 14.371  3.6002 0.0000  0.0000  14.371  3.6002 ?       ?      254.714 34.243 0.000000       34.24276 
1 1 1 2   28 19 o 583.086 31.734 74.261  7.8065 0.0000  0.0000  74.261  7.8065 ?       ?      583.086 31.734 0.000000       31.73365 
1 1 1 2   28 20 o 142.447 32.422 4.6069  1.9119 4.2192  2.4596  5.1988  3.0391 136.236 40.003 150.399 44.551 -14.16275      59.87547 
1 1 1 2   28 21 o 476.277 21.477 48.880  4.3320 45.445  5.7977  53.221  6.5180 454.459 30.298 491.209 31.499 -36.75034      43.70539 
1 1 1 2   28 22 o 119.152 35.547 3.2394  1.9297 3.9995  2.6444  2.3737  2.8222 132.148 42.012 113.538 42.901 18.61053       60.04591 
1 1 1 2   28 23 o 154.291 33.781 5.5111  2.1461 6.7967  2.8029  3.6898  3.3362 169.534 39.733 131.073 47.138 38.46097       61.65012 
1 1 1 2   28 24 o 229.033 26.929 11.716  2.5621 10.280  3.3637  13.701  3.9541 208.309 39.577 240.861 40.180 -32.55278      56.39863 
1 1 1 2   28 25 o 108.249 34.763 2.6663  1.8071 0.5182  2.2434  6.6359  3.0495 85.823  36.163 164.133 43.261 -78.30962      56.38548 
1 1 1 2   29 0  o 217.612 17.208 10.117  1.5729 10.755  2.7374  9.8023  1.9218 222.536 29.795 213.633 21.536 8.903427       36.76294 
1 1 1 2   29 1  o 526.709 16.555 58.890  3.6926 0.0000  0.0000  58.890  3.6926 ?       ?      526.709 16.555 0.000000       16.55461 
1 1 1 2   29 2  o 598.355 16.762 76.005  4.2475 0.0000  0.0000  76.005  4.2475 ?       ?      598.355 16.762 0.000000       16.76215 
1 1 1 2   29 3  f 360.491 16.887 27.589  2.5781 0.0000  0.0000  27.589  2.5781 ?       ?      360.491 16.887 0.000000       16.88742 
1 1 1 2   29 4  o 629.646 12.580 84.070  3.3543 80.741  4.7805  87.299  4.7078 616.547 18.309 641.200 17.337 -24.65283      25.21522 
1 1 1 2   29 5  o 439.665 14.223 41.010  2.6482 33.952  4.2123  45.622  3.4052 398.470 25.090 463.515 17.348 -65.04526      30.50351 
1 1 1 2   29 6  o 119.129 25.188 3.1371  1.2310 1.0868  1.9982  4.3911  1.5627 91.363  35.686 141.168 27.126 -49.80526      44.82500 
1 1 1 2   29 7  o 392.071 15.079 32.625  2.5036 34.107  4.0176  31.684  3.2012 399.485 23.856 385.568 19.670 13.91672       30.92015 
1 1 1 2   29 8  o 412.480 15.465 36.119  2.7014 38.627  4.3726  34.570  3.4355 425.067 24.393 403.184 20.120 21.88248       31.62027 
1 1 1 2   29 9  o 709.953 19.167 107.177 5.7629 114.329 7.7767  98.466  8.5826 732.165 25.081 678.458 29.871 53.70703       39.00425 
1 1 1 2   29 10 o 246.527 19.465 13.008  2.0156 14.682  3.2240  11.933  2.5826 260.276 29.785 234.956 26.413 25.31902       39.80996 
1 1 1 2   29 11 o 788.994 16.745 132.291 5.5950 144.359 9.2746  125.386 7.0153 821.927 26.645 767.212 21.592 54.71527       34.29533 
1 1 1 2   29 12 o 383.233 17.380 31.225  2.8206 27.923  4.3875  33.552  3.6825 359.971 29.028 396.162 22.037 -36.19025      36.44473 
1 1 1 2   29 13 o 319.501 20.199 21.823  2.7189 20.818  3.7039  22.997  4.0039 310.551 28.481 326.351 29.282 -15.80029      40.84834 
1 1 1 2   29 14 o 395.066 20.656 33.347  3.4439 33.676  4.7025  32.966  5.0575 395.488 28.264 390.670 30.820 4.817993       41.81718 
1 1 1 2   29 15 o 600.412 20.092 76.855  5.1089 73.942  7.0154  80.143  7.4547 586.991 28.221 610.939 28.813 -23.94794      40.33156 
1 1 1 2   29 16 o 249.837 32.700 13.716  3.3768 13.716  3.3768  0.0000  0.0000 249.837 32.700 ?       ?      0.000000       32.70049 
1 1 1 2   29 17 o 237.954 23.054 12.251  2.2940 12.513  3.2238  11.983  3.2651 237.968 32.866 232.386 34.200 5.581955       47.43252 
1 1 1 2   29 18 o 350.825 33.048 27.061  4.8522 0.0000  0.0000  27.061  4.8522 ?       ?      350.825 33.048 0.000000       33.04842 
1 1 1 2   29 19 o 317.878 22.666 21.838  3.0313 18.809  4.0733  25.597  4.5379 291.297 33.638 341.098 31.780 -49.80048      46.27629 
1 1 1 2   29 20 o 339.878 21.979 24.973  3.1466 23.598  4.2109  26.713  4.7349 327.141 30.756 347.416 32.562 -20.27460      44.79097 
1 1 1 2   29 21 o 99.913  33.810 2.1009  1.7018 1.8290  2.1309  2.5798  2.8279 100.349 37.408 116.184 43.137 -15.83453      57.09792 
1 1 1 2   29 22 o 187.083 29.013 7.8727  2.2242 6.1774  2.9467  10.118  3.3908 160.881 42.584 207.786 39.986 -46.90462      58.41460 
1 1 1 2   29 23 o 143.118 33.487 4.7655  1.9936 3.1754  2.5792  7.1255  3.1420 120.321 41.599 171.836 43.218 -51.51520      59.98591 
1 1 1 2   29 24 o 162.017 31.853 6.0881  2.1076 4.2745  2.7515  8.6628  3.2784 133.988 42.882 188.856 42.069 -54.86760      60.07255 
1 1 1 2   29 25 o 145.457 31.388 4.9393  1.8768 7.5138  2.4564  1.3287  2.9090 179.233 33.597 101.915 41.912 77.31805       53.71557 
1 1 1 2   30 0  o 557.460 13.129 65.910  3.0995 66.988  5.2425  65.331  3.8432 561.160 22.060 554.755 16.359 6.404419       27.46362 
1 1 1 2   30 1  o 386.483 12.123 31.672  1.9842 28.452  2.7806  35.013  2.8322 366.004 17.939 406.116 16.468 -40.11185      24.35153 
1 1 1 2   30 2  o 352.065 12.563 26.285  1.8731 27.322  2.6083  25.181  2.6917 358.708 17.170 343.788 18.557 14.92017       25.28153 
1 1 1 2   30 3  o 647.047 12.125 88.778  3.3225 90.733  4.7813  86.952  4.6202 653.656 17.272 639.913 17.049 13.74213       24.26937 
1 1 1 2   30 4  o 712.388 12.649 107.631 3.8161 103.191 5.4069  112.037 5.3868 696.935 18.320 726.297 17.513 -29.36169      25.34410 
1 1 1 2   30 5  o 287.971 14.323 17.596  1.7467 19.891  2.5339  15.518  2.4111 305.265 19.705 269.258 21.319 36.00735       29.03121 
1 1 1 2   30 6  o 532.328 14.464 60.136  3.2607 66.909  5.2688  55.932  4.1512 560.663 22.191 512.960 19.109 47.70282       29.28463 
1 1 1 2   30 7  o 140.918 24.001 4.3480  1.3810 4.8595  2.1305  3.9774  1.8135 147.598 34.674 133.641 32.383 13.95753       47.44413 
1 1 1 2   30 8  o 496.238 15.032 52.282  3.1591 55.078  5.0954  50.536  4.0263 508.337 23.669 487.438 19.505 20.89917       30.67045 
1 1 1 2   30 9  o 482.791 19.579 49.591  4.0031 52.864  5.2283  44.954  6.2232 497.752 24.803 456.678 32.388 41.07404       40.79428 
1 1 1 2   30 10 o 509.178 16.184 55.087  3.4899 42.817  5.5395  63.161  4.4937 446.193 29.482 544.800 19.477 -98.60776      35.33514 
1 1 1 2   30 11 o 375.090 17.344 29.914  2.7551 28.590  4.4171  30.757  3.5247 364.269 28.870 379.232 22.042 -14.96320      36.32241 
1 1 1 2   30 12 o 495.736 19.593 52.319  4.1134 55.545  5.7899  49.032  5.8450 508.876 26.963 477.523 29.041 31.35254       39.62802 
1 1 1 2   30 13 o 240.268 20.594 12.389  2.0752 15.200  3.0520  9.9718  2.8302 265.053 27.594 213.059 32.386 51.99442       42.54790 
1 1 1 2   30 14 o 493.400 16.957 51.792  3.5431 47.102  5.6518  54.828  4.5476 467.648 28.677 506.989 21.181 -39.34094      35.65075 
1 1 1 2   30 15 o 266.390 31.175 15.505  3.4505 15.505  3.4505  0.0000  0.0000 266.390 31.175 ?       ?      0.000000       31.17534 
1 1 1 2   30 16 o 223.105 23.995 10.797  2.2315 12.226  3.0285  9.1010  3.3007 235.779 31.088 200.332 40.302 35.44742       50.89888 
1 1 1 2   30 17 f 163.286 41.341 6.1227  2.8615 0.0000  0.0000  6.1227  2.8615 ?       ?      163.286 41.341 0.000000       41.34066 
1 1 1 2   30 18 o 767.587 21.400 126.473 6.9563 126.178 9.5275  126.809 10.180 762.041 29.523 762.585 31.523 -0.5435181     43.18908 
1 1 1 2   30 19 o 215.963 26.236 10.239  2.3502 10.256  3.2089  10.219  3.4518 212.629 36.979 211.091 40.078 1.537735       54.53171 
1 1 1 2   30 20 o 340.713 22.075 25.150  3.1680 21.168  4.1866  30.486  4.8458 308.315 32.557 371.276 31.106 -62.96030      45.02813 
1 1 1 2   30 21 o 329.668 22.319 23.656  3.0976 17.848  4.0916  31.455  4.7410 280.383 35.237 376.428 29.989 -96.04559      46.27094 
1 1 1 2   30 22 o 140.197 32.965 4.5564  1.9243 6.1872  2.4275  1.7990  3.1566 162.700 36.168 110.554 44.316 52.14657       57.20178 
1 1 1 2   30 23 o 258.128 24.116 14.709  2.6057 13.831  3.4180  15.927  4.0263 245.580 33.758 261.624 37.405 -16.04413      50.38607 
1 1 1 2   30 24 o 107.287 34.732 2.6164  1.8011 2.2810  2.2386  3.2318  3.0327 105.340 38.505 122.028 44.785 -16.68769      59.06179 
1 1 1 2   30 25 o 349.333 31.849 27.858  4.6600 27.858  4.6600  0.0000  0.0000 349.333 31.849 ?       ?      0.000000       31.84925 
1 1 1 2   31 0  o 273.519 12.823 15.868  1.4853 13.868  2.1836  17.590  2.0263 254.569 20.427 287.327 16.725 -32.75801      26.40033 
1 1 1 2   31 1  o 514.823 11.962 56.204  2.6081 51.386  3.6613  61.166  3.7161 491.849 17.577 536.731 16.349 -44.88211      24.00505 
1 1 1 2   31 2  o 507.860 12.085 54.696  2.5992 55.148  3.6464  54.229  3.7060 509.587 16.897 505.285 17.319 4.301300       24.19631 
1 1 1 2   31 3  o 859.753 12.951 156.793 4.7154 162.974 6.7357  150.852 6.6034 875.791 18.161 842.538 18.507 33.25323       25.92926 
1 1 1 2   31 4  o 292.641 13.836 18.171  1.7147 19.485  2.4881  16.982  2.3663 302.105 19.553 281.897 19.950 20.20810       27.93420 
1 1 1 2   31 5  o 367.263 13.488 28.619  2.0979 28.507  3.0154  28.724  2.9205 365.621 19.546 367.106 18.849 -1.485443      27.15368 
1 1 1 2   31 6  o 473.172 14.646 47.527  2.9348 47.123  4.6869  47.788  3.7641 469.630 23.642 474.089 18.748 -4.458710      30.17314 
1 1 1 2   31 7  o 191.787 22.418 7.9412  1.7865 6.4565  2.4684  9.5743  2.5888 170.261 35.389 209.424 30.050 -39.16234      46.42626 
1 1 1 2   31 8  o 188.110 20.460 7.6206  1.6036 6.0566  2.5657  8.6234  2.0543 164.443 37.653 199.508 24.854 -35.06537      45.11627 
1 1 1 2   31 9  o 970.078 20.194 200.359 8.2963 199.019 11.306  201.921 12.212 964.516 27.679 970.771 29.705 -6.254822      40.60144 
1 1 1 2   31 10 o 264.590 19.292 14.979  2.1468 12.042  3.4436  16.847  2.7457 233.804 35.929 280.043 23.365 -46.23886      42.85812 
1 1 1 2   31 11 o 423.478 19.358 38.178  3.4716 40.551  4.8620  35.709  4.9587 434.632 26.542 407.222 28.942 27.41046       39.26987 
1 1 1 2   31 12 o 254.977 20.785 13.945  2.2248 11.452  3.4800  15.669  2.8933 227.389 37.441 269.519 25.659 -42.12982      45.38982 
1 1 1 2   31 13 o 609.566 16.796 79.039  4.3357 77.280  7.1267  80.072  5.4630 600.305 28.033 612.740 21.053 -12.43494      35.05841 
1 1 1 2   31 14 o 426.526 21.724 38.961  3.9111 35.844  4.9414  44.189  6.3993 407.294 28.834 450.837 33.762 -43.54303      44.39957 
1 1 1 2   31 15 o 536.958 17.342 61.459  3.9435 66.714  6.2002  57.889  5.1104 557.052 26.283 519.766 23.217 37.28674       35.06861 
1 1 1 2   31 16 f 149.855 49.428 4.9229  3.6407 0.0000  0.0000  4.9229  3.6407 ?       ?      149.855 49.428 0.000000       49.42828 
1 1 1 2   31 17 o 110.522 36.161 2.6082  1.9500 2.2309  2.4364  3.2807  3.2525 109.680 40.158 128.963 46.523 -19.28349      61.45789 
1 1 1 2   31 18 o 307.239 22.497 20.418  2.9067 25.287  3.9162  14.446  4.3375 340.438 27.395 251.179 42.278 89.25899       50.37802 
1 1 1 2   31 19 o 192.743 26.556 8.2090  2.1101 7.4624  2.7991  9.1918  3.2114 179.997 37.918 199.713 39.370 -19.71591      54.66016 
1 1 1 2   31 20 f 172.318 28.806 6.6755  2.0279 5.9053  2.6715  7.7228  3.1152 158.503 39.843 180.921 41.536 -22.41785      57.55645 
1 1 1 2   31 21 o 290.832 23.618 18.530  2.8837 16.160  3.8690  21.493  4.3254 266.110 35.195 308.284 33.679 -42.17422      48.71321 
1 1 1 2   31 22 o 158.194 30.473 5.7335  1.9675 1.6868  2.4955  12.380  3.1983 101.865 39.855 232.781 33.400 -130.9162      51.99973 
1 1 1 2   31 23 o 158.374 32.333 5.8452  2.0952 6.4313  2.7335  5.0105  3.2623 163.038 39.912 143.487 46.764 19.55109       61.48024 
1 1 1 2   31 24 o 101.233 39.482 1.7959  2.4431 1.7959  2.4431  0.0000  0.0000 101.233 39.482 ?       ?      0.000000       39.48157 
1 1 1 2   32 0  o 315.085 12.830 21.060  1.7119 20.327  2.5259  21.683  2.3282 308.585 19.428 319.011 17.298 -10.42575      26.01266 
1 1 1 2   32 1  o 494.344 11.900 51.827  2.4913 49.441  3.5262  54.205  3.5203 482.412 17.260 505.194 16.454 -22.78183      23.84663 
1 1 1 2   32 2  o 492.462 12.348 51.441  2.5752 51.339  3.7126  51.536  3.5751 491.514 17.836 492.523 17.140 -1.009583      24.73699 
1 1 1 2   32 3  o 257.895 14.190 14.158  1.5439 14.164  2.1997  14.153  2.1674 257.226 20.359 257.166 20.060 0.5981445E-01  28.58136 
1 1 1 2   32 4  o 755.294 12.828 121.031 4.1032 120.608 5.8411  121.443 5.7653 753.209 18.312 755.860 18.011 -2.651001      25.68513 
1 1 1 2   32 5  o 683.912 12.877 99.244  3.7296 99.028  5.3045  99.455  5.2450 682.447 18.354 683.956 18.108 -1.508179      25.78321 
1 1 1 2   32 6  o 156.637 23.298 5.3435  1.4984 7.2631  2.3991  4.1158  1.9186 181.347 32.430 135.789 33.557 45.55775       46.66616 
1 1 1 2   32 7  o 747.662 15.118 118.728 4.7868 119.428 7.7647  118.298 6.0795 748.007 24.512 745.601 19.254 2.405945       31.16954 
1 1 1 2   32 8  o 495.879 15.165 52.234  3.1847 53.265  5.0266  51.543  4.1162 499.588 23.758 492.041 19.754 7.547516       30.89774 
1 1 1 2   32 9  o 206.010 48.789 9.6496  4.1909 0.0000  0.0000  9.6496  4.1909 ?       ?      206.010 48.789 0.000000       48.78914 
1 1 1 2   32 10 o 330.173 19.823 23.299  2.7589 23.774  3.8154  22.778  3.9940 332.158 27.368 324.650 29.368 7.507935       40.14331 
1 1 1 2   32 11 o 396.466 17.357 33.436  2.9143 34.056  4.6028  33.021  3.7651 397.841 27.488 392.715 22.736 5.126709       35.67217 
1 1 1 2   32 12 o 170.195 34.351 6.4659  2.3905 9.3073  2.8304  -0.6042 4.4648 205.216 33.741 113.136 49.378 92.07939       59.80530 
1 1 1 2   32 13 o 734.759 21.063 115.256 6.5540 105.101 8.6986  128.591 9.9679 698.947 29.388 772.665 30.463 -73.71729      42.32738 
1 1 1 2   32 14 o 191.580 23.470 7.9776  1.8644 6.1471  2.8829  9.2934  2.4443 164.230 41.449 205.758 28.844 -41.52806      50.49701 
1 1 1 2   32 15 o 635.962 22.133 86.700  5.9609 0.0000  0.0000  86.700  5.9609 ?       ?      635.962 22.133 0.000000       22.13284 
1 1 1 2   32 16 f 432.449 18.302 39.981  3.3518 38.533  5.1107  41.074  4.4400 420.654 28.864 436.153 24.132 -15.49936      37.62248 
1 1 1 2   32 17 o 194.493 27.826 8.3604  2.2266 7.1472  2.7164  10.844  3.8870 176.757 37.453 216.356 43.923 -39.59851      57.72343 
1 1 1 2   32 18 o 330.389 22.037 23.609  3.0656 22.639  4.1951  24.722  4.4910 320.090 31.350 334.273 32.120 -14.18292      44.88344 
1 1 1 2   32 19 o 226.639 25.419 11.297  2.3977 13.828  3.1173  7.6307  3.7518 249.260 30.143 178.137 48.450 71.12315       57.06185 
1 1 1 2   32 20 o 202.334 26.312 9.1000  2.2012 8.2198  2.9305  10.240  3.3346 187.473 38.208 209.392 39.040 -21.91869      54.62569 
1 1 1 2   32 21 o 191.638 27.911 8.2490  2.1987 8.4977  2.8644  7.8922  3.4303 190.828 36.778 180.126 45.077 10.70287       58.17709 
1 1 1 2   32 22 o 60.373  27.132 -0.5748 1.4482 -1.2170 1.7990  0.6080  2.4412 62.964  29.034 89.889  37.792 -26.92478      47.65713 
1 1 1 2   32 23 f 119.224 34.759 3.3538  1.8629 4.7536  2.4068  1.2620  2.9422 140.029 39.092 101.482 41.985 38.54697       57.36637 
1 1 1 2   32 24 o 158.757 39.617 6.1624  2.6550 6.1624  2.6550  0.0000  0.0000 158.757 39.617 ?       ?      0.000000       39.61726 
1 1 1 2   33 0  o 382.516 12.318 31.040  1.9954 31.726  2.8954  30.419  2.7538 386.338 17.697 378.342 17.187 7.996124       24.66952 
1 1 1 2   33 1  o 181.439 18.618 7.0731  1.4103 6.5232  2.0475  7.5695  1.9453 172.327 29.091 186.682 25.254 -14.35518      38.52355 
1 1 1 2   33 2  o 284.104 14.289 17.178  1.7137 15.567  2.4643  18.686  2.3847 269.480 21.780 295.774 19.141 -26.29446      28.99567 
1 1 1 2   33 3  o 265.399 14.881 15.004  1.6658 14.073  2.3303  15.976  2.3822 256.129 21.688 273.155 20.748 -17.02652      30.01378 
1 1 1 2   33 4  o 491.174 12.471 51.189  2.5940 55.978  3.7842  46.944  3.5628 513.137 17.414 469.858 17.905 43.27930       24.97683 
1 1 1 2   33 5  o 286.669 14.845 17.499  1.7960 19.734  2.6609  15.630  2.4341 303.685 20.815 270.008 21.464 33.67682       29.89968 
1 1 1 2   33 6  o 435.236 14.596 40.231  2.6903 36.855  4.2517  42.484  3.4743 414.792 24.310 446.873 18.359 -32.08136      30.46360 
1 1 1 2   33 7  o 490.471 18.346 51.186  3.8107 46.829  4.9478  57.539  5.9744 467.492 25.083 517.790 27.342 -50.29837      37.10489 
1 1 1 2   33 8  o 533.422 18.153 60.546  4.1008 55.631  5.4933  66.732  6.1631 510.115 25.428 558.568 26.054 -48.45328      36.40649 
1 1 1 2   33 9  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 2   33 10 f 213.908 21.078 9.8485  1.8846 10.639  2.9449  9.3004  2.4525 220.074 32.583 206.318 28.859 13.75546       43.52561 
1 1 1 2   33 11 o 174.660 32.888 6.7804  2.3434 7.8102  2.8958  4.8265  3.9888 186.643 37.930 152.283 51.761 34.35980       64.17029 
1 1 1 2   33 12 o 171.715 34.735 6.6007  2.4391 4.1527  3.0065  11.314  4.1719 138.917 44.864 223.156 45.683 -84.23924      64.02883 
1 1 1 2   33 13 o 152.625 34.225 5.2473  2.1575 0.0000  0.0000  5.2473  2.1575 ?       ?      152.625 34.225 0.000000       34.22465 
1 1 1 2   33 14 o 94.350  35.194 1.5150  1.8867 0.0000  0.0000  1.5150  1.8867 ?       ?      94.350  35.194 0.000000       35.19374 
1 1 1 2   33 15 o 225.061 22.038 10.973  2.0735 8.7142  3.1510  12.698  2.7537 195.442 39.430 240.849 27.490 -45.40741      48.06709 
1 1 1 2   33 16 o 407.297 22.316 35.783  3.8346 37.877  4.8330  32.225  6.2997 417.119 27.514 378.916 39.856 38.20297       48.43099 
1 1 1 2   33 17 o 83.037  31.837 1.0675  1.5686 -0.2063 2.0135  3.0342  2.5018 76.637  33.308 119.892 40.991 -43.25489      52.81756 
1 1 1 2   33 18 o 248.409 24.783 13.506  2.5723 11.927  3.2509  16.150  4.2068 229.816 34.466 266.256 38.420 -36.44083      51.61372 
1 1 1 2   33 19 o 376.237 21.020 30.694  3.3358 28.427  4.4898  33.487  4.9837 357.758 29.909 388.075 30.572 -30.31754      42.76901 
1 1 1 2   33 20 o 118.590 32.770 3.2506  1.7005 6.1631  2.2258  -0.8326 2.6355 163.222 33.328 81.792  36.691 81.43073       49.56781 
1 1 1 2   33 21 o 335.858 22.495 24.689  3.1810 19.686  4.2000  31.420  4.8716 293.338 34.466 373.772 31.058 -80.43314      46.39524 
1 1 1 2   33 22 o 67.594  29.492 -0.1436 1.5915 -0.9799 2.1281  0.9179  2.3975 71.109  32.329 91.774  37.928 -20.66453      49.83694 
1 1 1 2   33 23 o 216.971 35.525 11.108  3.1513 11.108  3.1513  0.0000  0.0000 216.971 35.525 ?       ?      0.000000       35.52542 
1 1 1 2   34 0  o 509.114 11.912 54.990  2.5683 54.942  3.6816  55.035  3.5846 508.373 17.101 508.858 16.634 -0.4844971     23.85658 
1 1 1 2   34 1  o 290.915 13.772 17.967  1.6967 18.657  2.4201  17.299  2.3795 295.442 19.451 284.376 19.883 11.06580       27.81528 
1 1 1 2   34 2  o 390.151 13.093 32.308  2.1634 28.631  3.0784  35.896  3.0409 366.175 19.926 410.864 17.477 -44.68912      26.50454 
1 1 1 2   34 3  o 464.759 12.612 45.840  2.4823 48.890  3.5350  42.873  3.4866 479.487 17.409 448.905 18.340 30.58200       25.28678 
1 1 1 2   34 4  o 304.378 13.904 19.672  1.7922 19.880  2.6378  19.493  2.4426 304.807 20.555 302.012 19.198 2.794830       28.12598 
1 1 1 2   34 5  o 138.388 24.099 4.2057  1.3610 6.3909  2.0632  2.5221  1.8110 170.248 29.697 109.144 34.775 61.10406       45.72929 
1 1 1 2   34 6  o 763.401 14.998 123.821 4.8488 121.501 7.9074  125.219 6.1383 754.012 24.764 766.935 18.899 -12.92334      31.15168 
1 1 1 2   34 7  o 500.515 17.746 53.303  3.7615 56.604  5.0510  49.194  5.6362 514.901 23.164 478.340 27.945 36.56082       36.29673 
1 1 1 2   34 8  o 600.834 18.063 76.831  4.5960 74.969  6.1775  79.140  6.8783 592.215 24.631 607.961 26.715 -15.74603      36.33752 
1 1 1 2   34 9  o 368.269 34.827 29.523  5.3670 0.0000  0.0000  29.523  5.3670 ?       ?      368.269 34.827 0.000000       34.82656 
1 1 1 2   34 10 o 656.646 19.122 91.871  5.3176 90.951  7.0522  93.084  8.0959 651.763 25.550 658.304 29.040 -6.541199      38.67968 
1 1 1 2   34 11 o 481.362 16.076 49.303  3.2772 50.759  5.3849  48.446  4.1301 485.773 26.273 476.444 20.470 9.329010       33.30603 
1 1 1 2   34 12 o 445.510 21.544 42.449  4.0647 0.0000  0.0000  42.449  4.0647 ?       ?      445.510 21.544 0.000000       21.54380 
1 1 1 2   34 13 o 412.192 22.723 36.544  3.9512 0.0000  0.0000  36.544  3.9512 ?       ?      412.192 22.723 0.000000       22.72316 
1 1 1 2   34 14 o 271.392 19.917 15.852  2.2731 20.679  3.7963  13.155  2.8381 307.430 29.522 245.108 27.836 62.32210       40.57528 
1 1 1 2   34 15 o 419.121 17.241 37.546  3.0602 36.340  4.7420  38.407  4.0061 408.519 27.571 421.947 22.501 -13.42810      35.58728 
1 1 1 2   34 16 o 227.169 22.297 11.216  2.1174 11.686  2.9861  10.741  3.0029 229.064 31.626 218.806 33.471 10.25882       46.04913 
1 1 1 2   34 17 o 463.065 17.990 45.970  3.5278 35.542  5.3726  53.874  4.6775 400.799 31.918 499.735 22.102 -98.93594      38.82301 
1 1 1 2   34 18 o 293.298 22.790 18.748  2.8085 16.130  3.6142  22.739  4.4620 267.971 32.514 318.137 33.628 -50.16617      46.77576 
1 1 1 2   34 19 o 210.039 24.709 9.7629  2.1559 9.0938  2.9103  10.577  3.2093 197.999 36.035 213.508 36.824 -15.50903      51.52250 
1 1 1 2   34 20 o 156.224 30.736 5.6089  1.9610 6.4171  2.5549  4.4500  3.0595 164.722 37.470 137.618 45.308 27.10345       58.79473 
1 1 1 2   34 21 o 109.099 32.696 2.7451  1.6298 2.6076  2.1786  2.9198  2.4561 109.477 38.211 115.309 40.553 -5.831238      55.71906 
1 1 1 2   34 22 o 208.437 36.773 10.334  3.1274 10.334  3.1274  0.0000  0.0000 208.437 36.773 ?       ?      0.000000       36.77317 
1 1 1 2   34 23 o 323.982 23.280 23.265  3.1728 17.772  4.1462  31.026  4.9285 274.113 36.634 367.378 31.998 -93.26498      48.64055 
1 1 1 2   35 0  o 614.549 12.072 80.143  3.1419 77.522  4.4760  82.690  4.4112 603.693 17.508 623.618 16.703 -19.92480      24.19747 
1 1 1 2   35 1  o 223.276 15.760 10.647  1.4806 12.022  2.2355  9.5730  1.9762 236.320 22.614 210.659 22.500 25.66071       31.90044 
1 1 1 2   35 2  o 192.565 19.491 7.9763  1.5676 7.7644  2.1860  8.2006  2.2492 188.346 28.279 193.675 28.255 -5.329102      39.97591 
1 1 1 2   35 3  o 271.307 15.443 15.693  1.7669 12.466  2.4977  18.926  2.5000 240.247 24.911 297.400 19.966 -57.15280      31.92473 
1 1 1 2   35 4  o 111.240 27.183 2.7550  1.2697 0.5765  1.8815  4.5766  1.7205 83.041  33.877 143.527 29.297 -60.48591      44.78817 
1 1 1 2   35 5  o 143.413 25.360 4.5263  1.4838 5.6358  1.9533  3.0124  2.2817 159.499 30.019 119.799 39.112 39.69958       49.30445 
1 1 1 2   35 6  o 396.896 16.008 33.492  2.6906 35.738  3.3619  29.492  4.4875 409.594 19.382 369.660 28.895 39.93326       34.79321 
1 1 1 2   35 7  o 673.502 18.075 96.559  5.1553 85.761  6.9075  110.136 7.7456 633.001 25.768 717.420 25.494 -84.41876      36.24790 
1 1 1 2   35 8  o 495.874 18.747 52.374  3.9369 59.965  5.1010  41.190  6.1915 529.864 22.732 435.650 33.824 94.21393       40.75362 
1 1 1 2   35 9  o 459.111 30.152 45.537  5.8298 0.0000  0.0000  45.537  5.8298 ?       ?      459.111 30.152 0.000000       30.15204 
1 1 1 2   35 10 o 487.181 20.399 50.664  4.2086 0.0000  0.0000  50.664  4.2086 ?       ?      487.181 20.399 0.000000       20.39885 
1 1 1 2   35 11 o 485.280 21.211 50.361  4.3592 0.0000  0.0000  50.361  4.3592 ?       ?      485.280 21.211 0.000000       21.21149 
1 1 1 2   35 12 o 293.227 25.734 18.644  3.1633 0.0000  0.0000  18.644  3.1633 ?       ?      293.227 25.734 0.000000       25.73428 
1 1 1 2   35 13 o 335.627 21.223 24.250  3.0009 20.825  3.9834  28.746  4.5635 308.013 30.957 362.703 29.979 -54.68994      43.09347 
1 1 1 2   35 14 f 327.319 17.696 22.977  2.4438 17.729  3.7153  26.978  3.2445 283.348 31.495 353.651 21.769 -70.30280      38.28602 
1 1 1 2   35 15 o 227.330 20.366 11.185  1.9399 10.850  2.9513  11.441  2.5740 220.210 32.635 228.044 27.189 -7.834732      42.47688 
1 1 1 2   35 16 o 286.919 18.699 17.735  2.2596 14.132  3.4045  20.571  3.0210 251.424 32.751 307.686 23.359 -56.26146      40.22799 
1 1 1 2   35 17 o 165.815 29.783 6.2096  2.0145 7.6486  2.4427  3.1492  3.5623 183.450 32.638 127.997 48.238 55.45313       58.24218 
1 1 1 2   35 18 o 120.091 45.471 2.7679  3.1747 0.0000  0.0000  2.7679  3.1747 ?       ?      120.091 45.471 0.000000       45.47128 
1 1 1 2   35 19 o 218.363 22.996 10.505  2.0946 11.644  2.9696  9.3777  2.9549 226.191 31.885 200.658 36.100 25.53294       48.16551 
1 1 1 2   35 20 o 78.344  31.062 0.8466  1.5342 0.6920  1.9262  1.1150  2.5374 82.859  34.094 95.973  39.269 -13.11414      52.00413 
1 1 1 2   35 21 o 189.720 36.618 8.5689  2.8355 8.5689  2.8355  0.0000  0.0000 189.720 36.618 ?       ?      0.000000       36.61769 
1 1 1 2   35 22 o 307.891 32.126 21.881  4.1272 21.881  4.1272  0.0000  0.0000 307.891 32.126 ?       ?      0.000000       32.12574 
1 1 1 2   36 0  o 498.372 12.301 52.721  2.5961 51.179  3.7655  54.117  3.5842 490.332 18.134 504.400 16.779 -14.06787      24.70574 
1 1 1 2   36 1  o 467.768 12.548 46.450  2.4856 45.165  3.5947  47.627  3.4408 460.577 18.430 473.132 17.172 -12.55478      25.19003 
1 1 1 2   36 2  o 499.684 15.395 53.074  3.2578 50.536  3.9410  58.550  5.7895 487.086 19.105 522.940 26.142 -35.85422      32.37963 
1 1 1 2   36 3  f 223.068 27.089 10.814  2.5065 10.814  2.5065  0.0000  0.0000 223.068 27.089 ?       ?      0.000000       27.08906 
1 1 1 2   36 4  o 179.713 52.955 7.2992  4.3034 7.2992  4.3034  0.0000  0.0000 179.713 52.955 ?       ?      0.000000       52.95478 
1 1 1 2   36 5  o 292.511 18.472 18.292  2.2765 18.149  2.7948  18.574  3.9244 290.617 22.894 291.957 32.280 -1.340179      39.57427 
1 1 1 2   36 6  o 419.279 17.677 37.422  3.1388 38.942  4.2368  35.572  4.6730 426.203 23.565 406.417 27.309 19.78668       36.07093 
1 1 1 2   36 7  o 398.168 15.609 33.714  2.6319 32.966  4.1569  34.214  3.4002 391.600 25.200 400.051 20.135 -8.451080      32.25583 
1 1 1 2   36 8  o 434.631 30.744 40.897  5.6223 0.0000  0.0000  40.897  5.6223 ?       ?      434.631 30.744 0.000000       30.74427 
1 1 1 2   36 9  o 274.033 23.704 16.199  2.7238 0.0000  0.0000  16.199  2.7238 ?       ?      274.033 23.704 0.000000       23.70404 
1 1 1 2   36 10 o 271.323 26.226 15.973  2.9758 0.0000  0.0000  15.973  2.9758 ?       ?      271.323 26.226 0.000000       26.22566 
1 1 1 2   36 11 o 378.889 17.274 30.632  2.7717 30.971  4.1669  30.363  3.7118 378.252 26.174 375.309 23.472 2.942780       35.15678 
1 1 1 2   36 12 o 327.882 18.396 23.057  2.5440 29.074  4.0998  19.290  3.2441 365.893 26.642 297.866 25.978 68.02710       37.21050 
1 1 1 2   36 13 o 96.490  33.956 1.8317  1.7223 -1.1714 2.6202  4.1162  2.2854 80.408  36.282 134.430 38.293 -54.02242      52.75144 
1 1 1 2   36 14 o 272.220 18.504 15.951  2.1205 16.094  3.2125  15.840  2.8228 270.500 28.471 269.474 25.021 1.026154       37.90347 
1 1 1 2   36 15 o 189.105 22.954 7.8298  1.8006 5.1273  2.5896  10.359  2.5053 148.530 40.192 216.346 28.002 -67.81555      48.98467 
1 1 1 2   36 16 o 133.988 30.086 4.0937  1.6654 1.7935  2.1883  7.2594  2.5672 100.549 37.825 177.719 35.354 -77.17006      51.77456 
1 1 1 2   36 17 o 98.597  34.086 2.0278  1.7317 2.9101  2.1173  0.2452  3.0094 114.480 37.691 95.666  41.148 18.81408       55.80120 
1 1 1 2   36 18 o 262.703 21.539 15.095  2.3752 14.648  3.3259  15.560  3.3931 254.220 31.573 262.328 31.151 -8.107544      44.35380 
1 1 1 2   36 19 o 251.284 25.173 14.010  2.6428 15.190  3.4918  12.429  4.0435 257.871 32.710 226.610 43.719 31.26128       54.60074 
1 1 1 2   36 20 o 335.978 25.290 25.091  3.5719 24.449  4.1583  26.899  6.9762 328.334 30.246 324.577 52.549 3.757538       60.63142 
1 1 1 2   36 21 o 147.197 34.821 5.2007  2.1367 5.0318  2.3788  5.9058  4.8609 143.382 38.405 151.971 56.529 -8.589767      68.34116 
1 1 1 2   36 22 f 200.483 44.428 10.157  3.6729 0.0000  0.0000  10.157  3.6729 ?       ?      200.483 44.428 0.000000       44.42789 
1 1 1 2   37 0  o 128.673 35.977 3.6871  2.0368 3.6871  2.0368  0.0000  0.0000 128.673 35.977 ?       ?      0.000000       35.97676 
1 1 1 2   37 1  o 731.295 18.309 113.891 5.6702 113.891 5.6702  0.0000  0.0000 731.295 18.309 ?       ?      0.000000       18.30884 
1 1 1 2   37 2  o 160.224 41.116 5.8029  2.8037 5.8029  2.8037  0.0000  0.0000 160.224 41.116 ?       ?      0.000000       41.11577 
1 1 1 2   37 3  o 299.217 19.324 19.159  2.4356 18.554  2.9024  20.598  4.4780 293.686 23.534 306.760 35.102 -13.07321      42.26116 
1 1 1 2   37 4  o 358.596 15.231 27.340  2.3130 33.496  3.6303  23.133  3.0010 395.500 21.758 328.470 21.696 67.03000       30.72699 
1 1 1 2   37 5  o 371.396 19.508 29.487  3.0576 0.0000  0.0000  29.487  3.0576 ?       ?      371.396 19.508 0.000000       19.50823 
1 1 1 2   37 6  o 340.432 18.178 24.761  2.6112 18.412  5.6818  26.461  2.9401 285.085 48.818 351.666 19.823 -66.58124      52.68871 
1 1 1 2   37 7  o 272.227 25.761 16.036  2.9346 0.0000  0.0000  16.036  2.9346 ?       ?      272.227 25.761 0.000000       25.76139 
1 1 1 2   37 8  o 259.958 40.328 15.124  4.2958 0.0000  0.0000  15.124  4.2958 ?       ?      259.958 40.328 0.000000       40.32775 
1 1 1 2   37 9  f 89.658  33.880 1.2980  1.7602 3.4606  2.4804  -0.8959 2.4983 126.484 40.739 80.610  35.973 45.87428       54.34810 
1 1 1 2   37 10 o 459.057 16.559 44.951  3.2192 39.562  4.8050  49.341  4.3364 427.385 26.681 479.788 21.342 -52.40283      34.16677 
1 1 1 2   37 11 o 337.746 18.879 24.485  2.6894 22.696  4.1446  25.787  3.5347 321.512 30.817 345.119 24.341 -23.60684      39.27047 
1 1 1 2   37 12 o 264.618 20.765 15.126  2.3083 19.157  3.5638  12.212  3.0298 295.475 28.849 234.543 31.283 60.93159       42.55422 
1 1 1 2   37 13 o 495.412 16.766 52.493  3.5175 48.335  5.5964  55.208  4.5224 470.332 28.227 506.598 21.080 -36.26578      35.22979 
1 1 1 2   37 14 o 206.974 20.870 9.3115  1.8043 6.5149  2.7109  11.536  2.4176 167.487 38.956 229.301 25.319 -61.81400      46.46058 
1 1 1 2   37 15 o 365.514 19.878 28.848  3.0654 23.289  4.0905  35.969  4.6297 324.167 30.141 404.987 27.151 -80.81989      40.56729 
1 1 1 2   37 16 o 203.785 23.832 9.1533  2.0179 6.5627  2.7706  12.080  2.9448 166.552 39.820 231.720 30.770 -65.16827      50.32307 
1 1 1 2   37 17 o 132.315 32.548 4.0779  1.8113 4.5792  2.1732  2.9376  3.2776 139.286 36.429 121.910 46.192 17.37614       58.82829 
1 1 1 2   37 18 o 483.595 18.071 50.516  3.7009 46.358  5.5956  53.749  4.9343 455.332 29.172 495.453 23.517 -40.12061      37.47047 
1 1 1 2   37 19 o 299.514 25.504 19.954  3.2041 22.417  3.7739  13.596  6.0645 315.707 28.535 221.362 62.144 94.34438       68.38255 
1 1 1 2   37 20 o 138.208 36.507 4.6238  2.1686 4.4782  2.4156  5.2283  4.9232 135.291 39.620 146.751 56.371 -11.45930      68.90192 
1 1 1 2   37 21 o 261.976 29.558 15.748  3.2220 0.0000  0.0000  15.748  3.2220 ?       ?      261.976 29.558 0.000000       29.55797 
1 1 1 2   38 0  o 157.783 31.308 5.5465  2.0182 3.0448  3.3379  6.9879  2.5337 128.684 47.021 176.741 35.089 -48.05690      58.67068 
1 1 1 2   38 1  o 526.700 14.987 58.984  3.3429 47.912  6.1333  63.664  3.9872 470.578 30.949 546.833 17.218 -76.25510      35.41609 
1 1 1 2   38 2  o 108.275 35.039 2.4729  1.8332 0.0000  0.0000  2.4729  1.8332 ?       ?      108.275 35.039 0.000000       35.03870 
1 1 1 2   38 3  o 701.697 18.395 104.929 5.4663 0.0000  0.0000  104.929 5.4663 ?       ?      701.697 18.395 0.000000       18.39500 
1 1 1 2   38 4  f 515.977 18.661 56.757  4.0776 0.0000  0.0000  56.757  4.0776 ?       ?      515.977 18.661 0.000000       18.66072 
1 1 1 2   38 5  o 326.029 19.005 22.749  2.6127 19.858  5.5217  23.583  2.9657 297.116 45.318 331.542 21.234 -34.42639      50.04612 
1 1 1 2   38 6  o 427.577 14.153 38.880  2.5628 37.879  3.5727  39.942  3.6783 421.120 20.033 432.422 20.086 -11.30215      28.36827 
1 1 1 2   38 7  o 437.850 15.884 40.836  2.9454 36.285  4.5588  44.097  3.8589 409.789 26.410 454.199 20.062 -44.41016      33.16565 
1 1 1 2   38 8  o 330.941 22.142 23.586  3.0852 23.296  4.0900  23.968  4.6996 326.663 29.897 329.904 34.132 -3.240784      45.37394 
1 1 1 2   38 9  o 570.179 15.999 69.341  3.8633 73.232  6.1579  66.815  4.9611 582.949 24.943 558.245 20.985 24.70410       32.59655 
1 1 1 2   38 10 o 209.074 25.322 9.5691  2.1963 7.8536  3.2797  10.964  2.9574 183.989 42.885 221.846 32.437 -37.85776      53.77020 
1 1 1 2   38 11 o 133.454 33.484 4.0628  1.8893 0.9068  2.7089  7.0516  2.6362 98.467  40.464 175.564 36.641 -77.09747      54.58827 
1 1 1 2   38 12 o 319.130 22.008 22.048  2.9562 18.676  3.9691  26.248  4.4301 289.617 32.948 344.946 30.646 -55.32913      44.99689 
1 1 1 2   38 13 o 220.693 22.237 10.614  2.0500 9.3906  3.1964  11.468  2.6718 201.786 38.814 227.566 28.338 -25.78073      48.05811 
1 1 1 2   38 14 f 334.507 19.783 24.173  2.7900 25.309  3.8258  22.883  4.0776 339.529 26.826 321.161 30.340 18.36749       40.49864 
1 1 1 2   38 15 o 272.832 20.914 16.191  2.3980 16.270  3.2437  16.096  3.5610 270.371 28.772 267.357 32.093 3.014862       43.10153 
1 1 1 2   38 16 o 208.349 22.007 9.5426  1.9124 7.1382  2.7362  11.838  2.6738 173.563 38.257 229.850 28.051 -56.28653      47.43887 
1 1 1 2   38 17 o 277.158 21.574 16.829  2.5122 12.677  3.3308  22.308  3.8261 234.133 34.638 315.308 28.978 -81.17474      45.16105 
1 1 1 2   38 18 o 333.633 24.162 24.602  3.3908 17.146  4.0479  42.142  6.2082 271.203 36.144 428.298 34.521 -157.0957      49.98081 
1 1 1 2   38 19 o 289.524 52.492 21.795  6.1990 0.0000  0.0000  21.795  6.1990 ?       ?      289.524 52.492 0.000000       52.49168 
1 1 1 2   38 20 o 146.569 44.427 5.4680  2.9966 0.0000  0.0000  5.4680  2.9966 ?       ?      146.569 44.427 0.000000       44.42705 
1 1 1 2   38 21 o 93.413  38.086 1.2359  2.3762 0.0000  0.0000  1.2359  2.3762 ?       ?      93.413  38.086 0.000000       38.08566 
1 1 1 2   39 0  o 237.762 18.881 12.132  1.8855 12.486  2.9892  11.897  2.4298 238.822 30.232 234.292 24.870 4.530151       39.14701 
1 1 1 2   39 1  o 407.034 15.340 35.252  2.6443 33.550  4.2276  36.346  3.3891 394.635 25.431 412.704 19.391 -18.06921      31.98071 
1 1 1 2   39 2  o 501.240 13.559 53.406  2.8782 49.555  4.0996  57.149  4.0418 481.717 20.096 517.659 18.437 -35.94183      27.27200 
1 1 1 2   39 3  o 594.955 13.359 75.243  3.3660 64.390  4.7906  85.825  4.7303 548.910 20.609 634.510 17.604 -85.60046      27.10362 
1 1 1 2   39 4  o 339.655 15.574 24.564  2.2402 26.254  3.3991  23.266  2.9787 349.256 23.112 329.062 21.493 20.19339       31.56109 
1 1 1 2   39 5  o 224.802 19.896 10.885  1.8745 12.948  2.8283  9.2693  2.5033 243.491 27.934 205.069 29.689 38.42197       40.76423 
1 1 1 2   39 6  o 437.264 14.589 40.709  2.7015 40.665  4.0583  40.744  3.6201 434.943 22.106 436.492 19.584 -1.549255      29.53281 
1 1 1 2   39 7  o 122.110 34.839 3.3498  1.8901 6.1972  3.1614  1.7658  2.3580 163.793 44.445 103.316 39.172 60.47704       59.24318 
1 1 1 2   39 8  o 382.528 20.792 31.481  3.3556 31.549  4.4121  31.388  5.1684 380.694 27.553 377.661 32.636 3.032928       42.71144 
1 1 1 2   39 9  o 419.244 17.331 37.586  3.0770 34.160  4.8870  39.836  3.9607 395.060 29.421 429.852 21.829 -34.79251      36.63493 
1 1 1 2   39 10 o 615.708 16.289 81.030  4.2473 77.100  6.7690  83.582  5.4547 595.839 26.826 623.557 20.656 -27.71777      33.85711 
1 1 1 2   39 11 o 157.322 32.933 5.6419  2.1237 3.5155  3.2521  7.2229  2.8042 130.324 46.575 176.673 38.562 -46.34941      60.46720 
1 1 1 2   39 12 o 339.612 17.684 24.796  2.5345 20.912  4.1040  27.191  3.2224 306.453 32.099 354.395 21.574 -47.94174      38.67545 
1 1 1 2   39 13 o 69.017  30.858 -0.6524 1.8477 0.0000  0.0000  -0.6524 1.8477 ?       ?      69.017  30.858 0.000000       30.85760 
1 1 1 2   39 14 o 46.988  22.150 -1.2214 1.1442 -0.8795 1.6206  -1.5613 1.6157 61.968  28.188 56.649  26.584 5.318745       38.74626 
1 1 1 2   39 15 o 182.238 22.472 7.3357  1.6976 11.429  2.4895  3.7777  2.3209 226.447 26.458 127.153 39.206 99.29317       47.29850 
1 1 1 2   39 16 o 163.648 23.392 5.9723  1.5750 6.0047  2.2461  5.9409  2.2092 159.952 34.195 159.235 33.805 0.7168274      48.08437 
1 1 1 2   39 17 o 103.102 36.119 2.2794  1.9475 2.2794  1.9475  0.0000  0.0000 103.102 36.119 ?       ?      0.000000       36.11871 
1 1 1 2   39 18 o 264.751 25.792 15.712  2.8551 14.739  3.3432  18.334  5.4879 252.718 31.951 267.419 50.305 -14.70087      59.59398 
1 1 1 2   39 19 o 189.500 37.814 8.7410  2.9283 0.0000  0.0000  8.7410  2.9283 ?       ?      189.500 37.814 0.000000       37.81448 
1 1 1 2   39 20 o 121.395 42.219 3.5231  2.6585 0.0000  0.0000  3.5231  2.6585 ?       ?      121.395 42.219 0.000000       42.21883 
1 1 1 2   40 0  o 102.663 33.528 2.2204  1.6767 1.7216  2.3759  2.7152  2.3665 103.324 39.286 115.653 39.855 -12.32911      55.96209 
1 1 1 2   40 1  f 552.867 13.261 65.001  3.1050 59.168  4.4862  70.365  4.3018 526.005 20.139 574.268 17.688 -48.26300      26.80441 
1 1 1 2   40 2  o 420.374 14.128 37.606  2.5151 36.887  3.5894  38.299  3.5251 415.211 20.413 423.242 19.667 -8.030853      28.34611 
1 1 1 2   40 3  o 66.548  28.629 -0.0806 1.4573 1.5966  2.0872  -1.6761 2.0357 97.985  36.925 65.887  30.558 32.09809       47.92952 
1 1 1 2   40 4  o 83.511  31.314 1.1557  1.4975 1.2799  2.3378  1.0692  1.9501 97.550  38.449 89.406  35.155 8.143967       52.09819 
1 1 1 2   40 5  o 194.472 21.766 8.2143  1.7618 7.9338  2.6865  8.4260  2.3338 187.494 35.125 195.125 29.135 -7.630249      45.63595 
1 1 1 2   40 6  o 527.743 14.020 59.331  3.1334 57.842  4.5859  60.635  4.2914 519.186 20.857 532.157 19.042 -12.97113      28.24220 
1 1 1 2   40 7  o 122.147 39.496 3.2652  2.3295 6.0686  3.1759  0.0000  3.4274 161.430 44.849 101.262 43.733 60.16809       62.64156 
1 1 1 2   40 8  o 322.267 34.772 23.152  4.6705 0.0000  0.0000  23.152  4.6705 ?       ?      322.267 34.772 0.000000       34.77244 
1 1 1 2   40 9  f 101.995 34.668 2.1672  1.7894 4.9704  2.8488  0.3407  2.2996 146.453 43.066 86.683  36.574 59.77007       56.50109 
1 1 1 2   40 10 o 217.829 23.797 10.387  2.1595 13.118  3.3434  8.4319  2.8288 241.534 33.596 191.900 36.134 49.63388       49.33933 
1 1 1 2   40 11 o 464.290 17.097 46.208  3.3616 46.311  5.2853  46.138  4.3563 459.773 27.266 461.982 22.267 -2.208679      35.20286 
1 1 1 2   40 12 o 118.168 36.982 3.1500  2.0564 3.3653  2.6289  2.8104  3.3008 123.854 42.021 122.334 46.355 1.520630       62.56653 
1 1 1 2   40 13 o 204.008 25.093 9.2177  2.1222 7.7996  3.1400  10.410  2.8795 180.850 41.831 213.860 32.845 -33.01047      53.18423 
1 1 1 2   40 14 o 161.842 23.747 5.8379  1.5792 1.7670  2.2610  9.7153  2.2066 99.919  38.244 208.892 25.471 -108.9732      45.94996 
1 1 1 2   40 15 o 128.662 26.875 3.7913  1.4171 6.2661  2.0407  1.4866  1.9694 164.979 30.326 92.726  35.645 72.25259       46.79982 
1 1 1 2   40 16 o 330.155 22.361 23.966  3.1081 25.859  3.8061  20.178  5.3846 340.434 26.612 286.661 45.904 53.77359       53.06010 
1 1 1 2   40 17 o 66.814  29.698 -0.4050 1.6853 -0.4050 1.6853  0.0000  0.0000 66.814  29.698 ?       ?      0.000000       29.69840 
1 1 1 2   40 18 o 196.334 42.651 9.6807  3.4448 0.0000  0.0000  9.6807  3.4448 ?       ?      196.334 42.651 0.000000       42.65069 
1 1 1 2   40 19 o 144.168 41.110 5.2551  2.6325 0.0000  0.0000  5.2551  2.6325 ?       ?      144.168 41.110 0.000000       41.11003 
1 1 1 2   40 20 o 106.726 33.446 2.6905  1.6813 0.4698  2.2020  5.7947  2.6035 83.293  35.494 151.788 39.956 -68.49480      53.44419 
1 1 1 2   41 0  o 152.321 28.852 5.1866  1.7930 1.7762  2.8476  7.4267  2.3079 109.221 42.617 182.431 30.981 -73.20996      52.68835 
1 1 1 2   41 1  o 411.545 14.563 36.087  2.5381 33.642  3.8144  38.030  3.4000 394.925 22.905 421.551 19.045 -26.62579      29.78896 
1 1 1 2   41 2  o 363.853 15.188 28.228  2.3402 22.721  3.3555  33.443  3.2655 323.732 24.661 395.154 19.514 -71.42227      31.44736 
1 1 1 2   41 3  o 323.206 15.283 22.280  2.0918 22.327  3.1090  22.241  2.8276 321.305 23.001 321.265 20.897 0.4028320E-01  31.07594 
1 1 1 2   41 4  o 271.102 16.941 15.767  1.9352 16.191  2.8636  15.411  2.6255 272.665 25.080 266.414 23.512 6.251068       34.37786 
1 1 1 2   41 5  o 161.752 25.181 5.7839  1.6688 6.1857  2.5724  5.4919  2.1928 163.938 37.822 155.158 34.285 8.779694       51.04847 
1 1 1 2   41 6  o 458.381 14.590 44.830  2.8322 43.343  4.2008  46.068  3.8349 448.520 22.116 463.280 19.546 -14.75967      29.51577 
1 1 1 2   41 7  o 311.910 16.899 20.881  2.2238 16.677  3.3431  24.219  2.9784 274.865 29.166 334.757 21.117 -59.89227      36.00809 
1 1 1 2   41 8  o 151.076 37.742 5.2966  2.4077 0.0000  0.0000  5.2966  2.4077 ?       ?      151.076 37.742 0.000000       37.74214 
1 1 1 2   41 9  o 168.632 29.175 6.3947  2.0081 6.6400  3.1912  6.2339  2.5837 167.279 44.334 163.693 38.002 3.586624       58.39181 
1 1 1 2   41 10 o 99.343  35.296 1.9694  1.8651 2.1119  2.7670  1.8506  2.5249 110.362 42.292 104.918 40.354 5.443268       58.45555 
1 1 1 2   41 11 o 377.904 21.555 31.002  3.4353 31.310  4.4594  30.553  5.3875 376.545 28.169 367.898 35.001 8.647064       44.92896 
1 1 1 2   41 12 o 160.715 31.134 5.9185  2.0425 3.0768  3.0431  8.2481  2.7553 122.220 44.860 188.465 35.832 -66.24521      57.41388 
1 1 1 2   41 13 o 125.257 28.829 3.6161  1.4975 4.1912  2.5419  3.3104  1.8533 133.001 41.033 119.211 34.645 13.79012       53.70330 
1 1 1 2   41 14 o 60.399  27.409 -0.7447 1.5204 -0.1781 1.6528  -3.8641 3.8779 68.568  29.981 83.778  39.869 -15.20994      49.88413 
1 1 1 2   41 15 o 116.854 34.541 3.2069  1.8283 1.4786  2.0935  8.7624  3.7535 93.826  36.560 185.889 47.503 -92.06242      59.94326 
1 1 1 2   41 16 o 165.080 23.526 6.1154  1.5982 6.5539  2.1794  5.6053  2.3507 167.349 31.916 152.325 36.843 15.02345       48.74448 
1 1 1 2   41 17 o 216.522 36.778 11.279  3.2517 0.0000  0.0000  11.279  3.2517 ?       ?      216.522 36.778 0.000000       36.77751 
1 1 1 2   41 18 o 80.804  33.450 0.7193  1.8692 0.0000  0.0000  0.7193  1.8692 ?       ?      80.804  33.450 0.000000       33.44965 
1 1 1 2   41 19 o 241.296 21.663 12.970  2.1901 13.725  3.0715  12.189  3.1237 242.593 30.576 226.353 33.607 16.23997       45.43470 
1 1 1 2   42 0  o 270.045 18.152 15.685  2.0638 15.493  3.1895  15.823  2.7068 265.289 28.855 269.705 23.948 -4.415680      37.49833 
1 1 1 2   42 1  o 283.542 17.827 17.278  2.1297 22.016  3.3874  14.180  2.7386 317.963 25.368 254.649 25.748 63.31438       36.14545 
1 1 1 2   42 2  o 259.047 18.210 14.445  1.9850 14.319  3.0565  14.536  2.6104 254.835 28.829 258.295 24.144 -3.459152      37.60379 
1 1 1 2   42 3  o 113.168 32.076 2.8909  1.6077 1.5651  2.3918  3.9836  2.1713 100.772 39.131 131.923 37.238 -31.15049      54.01731 
1 1 1 2   42 4  o 106.048 29.619 2.5330  1.3813 0.4900  2.1591  3.9485  1.7972 85.799  35.769 131.449 32.475 -45.64993      48.31213 
1 1 1 2   42 5  o 102.709 31.252 2.3406  1.4808 1.1076  2.3611  3.1399  1.9011 95.181  38.266 117.954 35.304 -22.77345      52.06421 
1 1 1 2   42 6  f 330.322 16.301 23.355  2.2803 19.552  3.4587  26.280  3.0328 298.056 27.719 348.691 20.630 -50.63449      34.55331 
1 1 1 2   42 7  o 422.156 15.216 38.109  2.7203 36.892  3.9829  39.173  3.7243 412.224 22.906 426.265 20.631 -14.04105      30.82693 
1 1 1 2   42 8  o 77.722  34.221 -0.4033 2.1865 0.0000  0.0000  -0.4033 2.1865 ?       ?      77.722  34.221 0.000000       34.22107 
1 1 1 2   42 9  o 183.828 31.073 7.6544  2.3328 8.0802  3.0821  7.0834  3.5694 185.301 40.414 171.120 47.548 14.18097       62.40315 
1 1 1 2   42 10 o 263.754 24.034 15.273  2.6550 18.584  3.4542  10.492  4.1506 289.116 28.586 207.280 48.196 81.83577       56.03608 
1 1 1 2   42 11 o 281.072 20.423 17.201  2.4144 10.128  3.6490  22.709  3.2201 205.135 43.361 321.635 23.810 -116.5004      49.46765 
1 1 1 2   42 12 o 98.167  35.014 1.9823  1.8371 0.6563  2.6877  3.1450  2.5168 93.673  39.533 118.714 41.090 -25.04061      57.01969 
1 1 1 2   42 13 o 143.887 34.310 4.9067  2.0612 4.7453  2.4195  5.3339  3.9364 140.083 39.226 147.349 51.366 -7.266129      64.63079 
1 1 1 2   42 14 o 87.698  31.947 1.5149  1.5391 1.2257  1.6884  2.9362  3.7430 85.368  32.953 123.228 48.625 -37.86057      58.73942 
1 1 1 2   42 15 o 199.502 29.326 9.1353  2.4037 0.0000  0.0000  9.1353  2.4037 ?       ?      199.502 29.326 0.000000       29.32621 
1 1 1 2   42 16 o 158.977 35.265 6.1135  2.3121 0.0000  0.0000  6.1135  2.3121 ?       ?      158.977 35.265 0.000000       35.26456 
1 1 1 2   42 17 o 227.141 22.905 11.569  2.1732 9.0582  2.8139  15.280  3.4213 193.298 35.689 254.701 32.456 -61.40282      48.23995 
1 1 1 2   42 18 o 134.193 28.140 4.2367  1.5481 4.2070  2.1158  4.2709  2.2712 130.248 36.756 130.675 38.461 -0.4269257     53.20007 
1 1 1 2   43 0  o 433.177 14.264 40.057  2.6166 38.603  3.9749  41.168  3.4759 422.227 22.309 437.859 18.745 -15.63205      29.13902 
1 1 1 2   43 1  o 287.719 17.030 17.794  2.0658 17.893  3.1085  17.716  2.7647 285.740 25.972 285.321 23.078 0.4187927      34.74419 
1 1 1 2   43 2  o 109.608 32.600 2.7009  1.6248 1.6722  2.6144  3.3484  2.0740 104.273 40.794 121.606 36.983 -17.33326      55.06252 
1 1 1 2   43 3  o 101.778 31.541 2.2910  1.4999 0.5615  2.1830  3.8376  2.0644 86.673  36.036 129.133 36.260 -42.46077      51.12108 
1 1 1 2   43 4  o 125.340 28.271 3.5689  1.4649 3.1376  2.1811  3.9233  1.9772 118.708 38.200 130.430 35.046 -11.72141      51.84045 
1 1 1 2   43 5  o 82.836  31.010 1.1853  1.4673 -0.0334 2.2324  2.1125  1.9471 81.739  35.298 102.176 36.088 -20.43681      50.48062 
1 1 1 2   43 6  o 371.801 15.273 29.584  2.4048 23.085  3.5955  34.844  3.2348 324.069 26.429 402.345 18.985 -78.27594      32.54061 
1 1 1 2   43 7  o 375.389 17.906 30.293  2.8465 27.586  3.6109  34.738  4.6265 355.298 24.141 397.003 27.692 -41.70490      36.73730 
1 1 1 2   43 8  f 235.857 38.993 12.929  3.7586 0.0000  0.0000  12.929  3.7586 ?       ?      235.857 38.993 0.000000       38.99274 
1 1 1 2   43 9  o 101.929 35.570 2.1732  1.8878 3.4441  3.4526  1.6312  2.2548 128.671 47.685 98.586  38.074 30.08504       61.02058 
1 1 1 2   43 10 o 90.858  37.041 0.9766  2.2474 -0.4605 2.9567  2.9433  3.4588 89.031  39.466 122.999 47.249 -33.96862      61.56336 
1 1 1 2   43 11 o 343.991 22.857 26.024  3.3108 25.139  4.3194  27.284  5.1550 332.974 30.987 343.135 36.012 -10.16110      47.50827 
1 1 1 2   43 12 o 67.406  30.798 -1.0290 1.9618 -2.1558 2.6079  0.4399  2.9774 72.174  33.839 95.027  40.901 -22.85297      53.08414 
1 1 1 2   43 13 o 168.283 23.143 6.3367  1.6057 5.3064  2.3601  7.2246  2.1909 147.965 37.590 176.725 30.368 -28.75937      48.32426 
1 1 1 2   43 14 o 79.252  33.029 0.5626  1.8400 0.0000  0.0000  0.5626  1.8400 ?       ?      79.252  33.029 0.000000       33.02858 
1 1 1 2   43 15 o 234.790 27.583 12.593  2.6903 0.0000  0.0000  12.593  2.6903 ?       ?      234.790 27.583 0.000000       27.58265 
1 1 1 2   43 16 o 134.368 25.604 4.1788  1.4038 5.2390  1.9761  3.0988  1.9945 147.493 32.513 113.390 36.533 34.10347       48.90545 
1 1 1 2   43 17 o 223.697 20.393 11.123  1.9107 13.094  2.8006  9.4071  2.6133 237.858 28.363 198.832 32.131 39.02585       42.85834 
1 1 1 2   44 0  o 328.538 16.145 23.127  2.2463 24.882  3.4767  21.870  2.9431 337.384 24.501 317.161 22.049 20.22296       32.96115 
1 1 1 2   44 1  o 137.220 28.672 4.2785  1.6125 5.3628  2.6654  3.6525  2.0251 150.829 40.760 125.883 36.109 24.94682       54.45444 
1 1 1 2   44 2  o 299.670 16.763 19.321  2.1189 17.152  3.2445  20.934  2.7979 278.379 27.897 310.444 21.412 -32.06503      35.16694 
1 1 1 2   44 3  o 335.451 15.409 24.095  2.1890 20.868  3.1455  27.125  3.0483 308.793 24.248 353.886 20.427 -45.09290      31.70551 
1 1 1 2   44 4  o 104.128 31.034 2.4434  1.4713 5.9217  2.2478  -0.1643 1.9462 160.069 34.197 75.159  32.706 84.90929       47.31952 
1 1 1 2   44 5  o 106.175 33.261 2.5200  1.6630 1.5790  2.1875  3.8084  2.5597 97.463  37.540 128.951 41.370 -31.48786      55.86362 
1 1 1 2   44 6  o 155.702 29.470 5.5178  1.8721 6.5376  2.4113  3.9705  2.9702 167.747 35.072 132.262 44.667 35.48486       56.79073 
1 1 1 2   44 7  o 182.323 39.663 7.8858  2.9753 7.8858  2.9753  0.0000  0.0000 182.323 39.663 ?       ?      0.000000       39.66251 
1 1 1 2   44 8  o 72.836  32.362 -0.4941 1.9992 -1.9585 3.1132  0.5335  2.6079 82.172  37.997 91.784  38.850 -9.611732      54.34246 
1 1 1 2   44 9  o 116.158 39.081 3.0532  2.2736 4.7390  3.0474  0.9366  3.4147 140.142 45.158 104.784 44.409 35.35780       63.33602 
1 1 1 2   44 10 o 204.663 29.620 9.5709  2.4926 13.118  3.2325  4.3678  3.9148 238.265 32.915 137.483 50.811 100.7821       60.54061 
1 1 1 2   44 11 o 198.130 26.197 8.8641  2.1442 11.387  3.4971  7.3441  2.7143 217.246 39.465 174.413 37.836 42.83357       54.67192 
1 1 1 2   44 12 o 270.440 27.823 16.556  3.1410 0.0000  0.0000  16.556  3.1410 ?       ?      270.440 27.823 0.000000       27.82251 
1 1 1 2   44 13 o 217.257 27.840 10.769  2.5026 0.0000  0.0000  10.769  2.5026 ?       ?      217.257 27.840 0.000000       27.84036 
1 1 1 2   44 14 o 103.464 31.323 2.5171  1.4902 -0.5366 2.1705  5.2403  2.0497 74.248  33.303 147.404 33.584 -73.15545      47.29693 
1 1 1 2   44 15 o 135.963 25.452 4.2791  1.4116 4.6158  1.9629  3.9185  2.0315 137.420 33.931 125.883 36.183 11.53638       49.60402 
1 1 1 2   44 16 o 114.130 31.149 3.1434  1.5475 3.1297  2.1907  3.1571  2.1865 113.613 38.360 113.989 38.324 -0.3762894     54.22424 
1 1 1 2   44 17 o 95.949  30.575 2.1494  1.3999 3.0337  2.0542  1.3825  1.9130 111.936 37.138 88.521  34.816 23.41473       50.90569 
1 1 1 2   45 0  o 219.452 20.148 10.491  1.8515 8.8915  2.9330  11.551  2.3873 195.641 36.750 228.678 25.062 -33.03650      44.48238 
1 1 1 2   45 1  o 316.621 16.618 21.586  2.2204 21.901  3.5297  21.380  2.8564 314.850 26.725 313.295 21.662 1.554718       34.40131 
1 1 1 2   45 2  o 122.042 38.300 3.4116  2.2039 5.9412  2.7919  -0.7707 3.5900 157.729 41.308 96.495  43.087 61.23376       59.68943 
1 1 1 2   45 3  o 218.999 29.979 10.807  2.7074 10.807  2.7074  0.0000  0.0000 218.999 29.979 ?       ?      0.000000       29.97929 
1 1 1 2   45 4  o 65.969  30.744 -1.7209 2.0999 -1.7209 2.0999  0.0000  0.0000 65.969  30.744 ?       ?      0.000000       30.74368 
1 1 1 2   45 5  o 116.876 38.576 3.0804  2.2174 3.0804  2.2174  0.0000  0.0000 116.876 38.576 ?       ?      0.000000       38.57595 
1 1 1 2   45 6  o 258.339 22.684 14.673  2.4566 17.201  3.3033  11.545  3.6746 276.986 28.571 219.966 40.954 57.02051       49.93563 
1 1 1 2   45 7  o 173.090 34.298 7.0223  2.4253 7.5210  3.3984  6.5046  3.4622 173.811 45.600 161.170 47.500 12.64082       65.84573 
1 1 1 2   45 8  o 212.372 22.793 9.9997  2.0179 11.554  3.3254  9.0939  2.5388 221.119 36.805 198.620 31.212 22.49942       48.25806 
1 1 1 2   45 9  o 65.320  30.791 -2.0744 2.2111 0.0000  0.0000  -2.0744 2.2111 ?       ?      65.320  30.791 0.000000       30.79147 
1 1 1 2   45 10 f 143.069 38.875 5.0162  2.4168 0.0000  0.0000  5.0162  2.4168 ?       ?      143.069 38.875 0.000000       38.87535 
1 1 1 2   45 11 o 370.294 23.034 30.387  3.5942 0.0000  0.0000  30.387  3.5942 ?       ?      370.294 23.034 0.000000       23.03375 
1 1 1 2   45 12 o 97.069  35.205 1.9839  1.8661 1.3400  2.7565  2.5287  2.5354 98.774  40.731 109.104 40.779 -10.32991      57.63590 
1 1 1 2   45 13 o 127.983 29.466 3.8842  1.5640 2.1036  2.3216  5.3637  2.1162 101.784 38.802 148.505 34.335 -46.72078      51.81244 
1 1 1 2   45 14 o 266.759 19.626 15.746  2.2015 12.145  3.3196  18.573  2.9414 222.834 36.437 286.507 24.478 -63.67261      43.89542 
1 1 1 2   45 15 o 137.195 27.373 4.4304  1.5347 5.2241  2.1699  3.6362  2.1707 144.832 35.625 120.609 38.034 24.22298       52.11265 
1 1 1 2   45 16 o 84.953  29.395 1.5850  1.2880 2.3078  1.7832  0.7964  1.8625 99.947  34.587 80.824  33.418 19.12268       48.09399 
1 1 1 2   46 0  o 113.353 40.633 2.7126  2.4771 2.7126  2.4771  0.0000  0.0000 113.353 40.633 ?       ?      0.000000       40.63311 
1 1 1 2   46 1  o 142.477 43.795 4.8811  2.8986 4.8811  2.8986  0.0000  0.0000 142.477 43.795 ?       ?      0.000000       43.79485 
1 1 1 2   46 2  o 368.145 23.865 29.803  3.7006 29.803  3.7006  0.0000  0.0000 368.145 23.865 ?       ?      0.000000       23.86461 
1 1 1 2   46 3  o 192.308 38.987 8.8119  3.0664 8.8119  3.0664  0.0000  0.0000 192.308 38.987 ?       ?      0.000000       38.98668 
1 1 1 2   46 4  o 68.319  28.967 0.1802  1.4537 -1.4879 2.3873  1.1632  1.8327 72.515  33.441 86.842  34.102 -14.32689      47.76225 
1 1 1 2   46 5  o 154.045 26.745 5.4005  1.6815 2.5372  2.6564  7.3148  2.1720 111.698 41.741 178.521 29.778 -66.82286      51.27453 
1 1 1 2   46 6  o 131.580 36.491 4.1561  2.1044 0.0000  0.0000  4.1561  2.1044 ?       ?      131.580 36.491 0.000000       36.49104 
1 1 1 2   46 7  o 264.428 29.172 15.926  3.2124 23.828  6.0647  12.844  3.7874 307.292 48.188 230.062 40.344 77.23068       62.84660 
1 1 1 2   46 8  o 212.274 30.095 10.390  2.6297 0.0000  0.0000  10.390  2.6297 ?       ?      212.274 30.095 0.000000       30.09528 
1 1 1 2   46 9  o 175.536 34.133 7.3344  2.4460 0.0000  0.0000  7.3344  2.4460 ?       ?      175.536 34.133 0.000000       34.13339 
1 1 1 2   46 10 o 152.723 31.407 5.5126  1.9635 7.7931  3.2386  4.1872  2.4690 174.863 43.821 130.325 40.479 44.53769       59.65648 
1 1 1 2   46 11 o 290.436 21.153 18.679  2.5838 15.743  4.2205  20.439  3.2678 252.193 40.919 300.658 25.918 -48.46445      48.43677 
1 1 1 2   46 12 o 159.936 27.675 5.9613  1.8066 3.3989  3.2448  7.1125  2.1749 120.878 45.923 173.278 30.765 -52.39962      55.27523 
1 1 1 2   46 13 o 172.761 23.825 6.8089  1.6967 2.4808  2.6197  9.9364  2.2270 107.156 41.131 207.975 25.842 -100.8192      48.57478 
1 1 1 2   46 14 o 134.104 29.732 4.3192  1.6443 5.8593  2.4708  3.0951  2.2029 151.458 38.453 112.540 38.465 38.91816       54.38877 
1 1 1 2   46 15 o 70.596  29.199 0.5339  1.4225 -1.5071 2.1677  2.0777  1.8853 66.608  31.107 96.947  35.351 -30.33868      47.08844 
1 1 1 2   47 0  o 99.023  39.543 1.5278  2.5027 3.6752  4.0189  0.1675  3.1987 131.511 50.819 95.869  41.819 35.64197       65.81381 
1 1 1 2   47 1  o 147.091 29.886 5.0236  1.7982 5.5334  4.2740  4.9140  1.9821 149.271 53.388 144.191 33.153 5.079987       62.84409 
1 1 1 2   47 2  o 366.101 20.378 29.331  3.1469 0.0000  0.0000  29.331  3.1469 ?       ?      366.101 20.378 0.000000       20.37827 
1 1 1 2   47 3  o 171.095 33.443 6.9039  2.3363 0.0000  0.0000  6.9039  2.3363 ?       ?      171.095 33.443 0.000000       33.44260 
1 1 1 2   47 4  o 190.850 30.623 8.4375  2.3914 0.0000  0.0000  8.4375  2.3914 ?       ?      190.850 30.623 0.000000       30.62329 
1 1 1 2   47 5  o 109.586 35.775 2.7894  1.9090 5.3955  5.1265  2.3699  2.0569 147.886 57.326 104.217 37.062 43.66924       68.26344 
1 1 1 2   47 6  o 255.949 22.264 14.541  2.3891 5.1581  5.5418  16.683  2.6479 146.686 58.748 273.828 23.048 -127.1424      63.10688 
1 1 1 2   47 7  o 118.050 43.308 3.1442  2.8356 -4.8245 5.4184  6.1498  3.3277 96.590  46.281 153.977 46.849 -57.38689      65.85423 
1 1 1 2   47 8  o 235.847 22.097 12.375  2.1813 8.6270  3.7128  14.351  2.6956 181.140 47.730 252.109 25.604 -70.96848      54.16349 
1 1 1 2   47 9  o 90.075  33.980 1.5694  1.7687 4.8412  2.9887  -0.1942 2.1942 137.777 44.752 77.374  34.163 60.40295       56.30203 
1 1 1 2   47 10 o 164.297 29.057 6.3291  1.9477 5.3093  3.3248  6.8620  2.4033 141.966 47.255 167.833 34.949 -25.86755      58.77495 
1 1 1 2   47 11 o 236.881 22.609 12.624  2.2405 14.010  3.5702  11.723  2.8778 239.282 36.378 222.356 31.437 16.92546       48.07948 
1 1 1 2   47 12 o 169.785 25.642 6.6709  1.7863 7.9412  3.0942  6.0359  2.1877 173.805 42.412 156.552 33.973 17.25307       54.34142 
1 1 1 2   47 13 o 72.818  28.797 0.8366  1.3154 -0.3545 2.0006  1.7438  1.7459 71.728  32.087 90.986  33.872 -19.25835      46.65665 
1 1 1 2   47 14 o 260.074 19.811 15.059  2.1656 16.095  3.2253  14.208  2.9222 261.310 29.672 246.303 28.544 15.00702       41.17260 
1 1 1 2   48 0  o 122.280 34.286 3.5929  1.8472 11.536  3.6836  0.9247  2.1350 215.585 41.856 87.282  35.902 128.3034       55.14383 
1 1 1 2   48 1  o 125.837 32.109 3.7785  1.7167 10.339  3.4641  1.6425  1.9765 203.972 41.514 93.614  35.775 110.3579       54.80226 
1 1 1 2   48 2  o 106.043 32.414 2.6396  1.5904 0.6898  2.6855  3.6928  1.9737 92.218  39.245 123.529 35.711 -31.31049      53.06051 
1 1 1 2   48 3  o 101.853 32.859 2.3961  1.6131 4.6490  2.6318  1.0403  2.0416 136.317 41.702 87.106  35.384 49.21098       54.69072 
1 1 1 2   48 4  o 81.820  31.585 1.1537  1.5512 1.4407  2.5283  0.9805  1.9643 97.115  39.403 85.337  34.691 11.77794       52.49828 
1 1 1 2   48 5  o 108.736 32.152 2.8030  1.5840 0.1879  2.3828  4.8735  2.1202 83.603  36.285 141.356 35.474 -57.75296      50.74450 
1 1 1 2   48 6  o 160.875 24.848 5.8993  1.6383 3.6610  2.4360  7.7481  2.2138 122.525 40.432 182.280 29.702 -59.75513      50.16959 
1 1 1 2   48 7  o 69.860  32.756 -1.8956 2.4445 -2.3407 4.5351  -1.7133 2.9022 95.640  44.771 78.206  36.345 17.43417       57.66648 
1 1 1 2   48 8  o 267.129 19.893 15.782  2.2343 16.359  3.8221  15.482  2.7538 260.511 35.575 261.266 25.201 -0.7552795     43.59640 
1 1 1 2   48 9  o 165.644 27.903 6.4210  1.8878 8.2719  3.3130  5.5310  2.2972 176.849 44.323 148.616 36.715 28.23233       57.55423 
1 1 1 2   48 10 o 214.111 24.871 10.500  2.2132 7.3010  3.7755  12.175  2.7318 160.232 50.104 227.812 28.971 -67.58066      57.87636 
1 1 1 2   48 11 o 107.836 36.015 2.8388  1.9307 7.4050  3.0737  -0.1369 2.4814 166.236 43.249 80.769  35.961 85.46661       56.24651 
1 1 1 2   48 12 o 133.764 31.264 4.3791  1.7392 1.4047  3.1523  5.6807  2.0853 100.077 42.552 151.508 33.400 -51.43106      54.09505 
1 1 1 2   48 13 o 147.725 26.229 5.1213  1.5808 2.1577  2.3669  7.5075  2.1239 100.731 38.979 177.590 29.260 -76.85947      48.73956 
1 1 1 2   49 0  o 127.873 30.746 3.9016  1.6445 3.1733  2.7560  4.3042  2.0493 117.134 42.737 132.455 35.718 -15.32124      55.69788 
1 1 1 2   49 1  o 174.206 23.328 6.8537  1.6778 7.9842  2.9084  6.2897  2.0541 178.900 39.449 163.114 30.866 15.78616       50.08902 
1 1 1 2   49 2  o 150.440 28.538 5.2949  1.7516 6.6204  2.8551  4.4948  2.2182 161.191 41.559 134.600 37.512 26.59061       55.98489 
1 1 1 2   49 3  o 105.057 32.718 2.6093  1.6118 0.9653  2.6444  3.5809  2.0331 93.427  39.310 120.972 36.577 -27.54513      53.69477 
1 1 1 2   49 4  o 78.103  31.658 0.8139  1.6303 0.6248  2.7765  0.9134  2.0141 91.994  39.545 84.821  34.878 7.173622       52.72815 
1 1 1 2   49 5  o 227.084 19.696 11.417  1.8753 10.360  2.8790  12.197  2.4716 207.775 33.888 231.366 25.658 -23.59052      42.50528 
1 1 1 2   49 6  o 172.928 23.905 6.8113  1.7038 7.1949  2.5780  6.5137  2.2703 170.216 36.833 163.575 33.887 6.640793       50.05043 
1 1 1 2   49 7  o 112.016 36.058 3.0705  1.9433 10.432  4.9754  1.7453  2.1110 185.100 57.458 94.674  36.762 90.42617       68.21205 
1 1 1 2   49 8  o 108.735 33.511 2.8913  1.6959 5.8755  2.5479  0.5177  2.2723 150.626 39.467 83.396  35.809 67.22986       53.29151 
1 1 1 2   49 9  f 120.682 40.079 3.7395  2.3921 10.509  3.1733  -5.1701 3.6406 203.433 38.237 72.551  35.493 130.8821       52.17120 
1 1 1 2   49 10 o 117.693 35.771 3.5018  1.9407 7.7018  3.1615  0.9621  2.4585 168.242 43.906 89.164  37.729 79.07727       57.89028 
1 1 1 2   49 11 o 159.521 30.873 6.1817  2.0102 6.5099  3.2965  5.9874  2.5364 151.898 46.707 151.162 39.268 0.7351227      61.02006 
1 1 1 2   50 0  o 143.628 31.726 4.9774  1.8783 5.7278  4.1565  4.7848  2.1055 144.525 52.522 138.823 35.633 5.702133       63.46914 
1 1 1 2   50 1  o 137.076 29.544 4.4783  1.6645 6.0418  2.7270  3.5499  2.1013 152.879 41.193 119.658 37.373 33.22081       55.62016 
1 1 1 2   50 2  o 112.064 31.914 3.0417  1.5876 0.8488  2.8214  4.0577  1.9204 93.609  40.040 128.109 34.589 -34.50040      52.91139 
1 1 1 2   50 3  o 280.107 18.899 17.333  2.2287 18.289  3.6442  16.762  2.8169 277.935 31.519 271.455 24.776 6.479980       40.09117 
1 1 1 2   50 4  o 173.321 25.876 6.9557  1.8411 5.8764  3.1064  7.5401  2.2858 147.341 45.346 177.059 31.646 -29.71742      55.29673 
1 1 1 2   50 5  o 72.371  30.070 0.5544  1.5186 2.1838  2.4423  -0.4726 1.9389 101.896 39.549 69.669  31.344 32.22681       50.46335 
1 1 1 2   50 6  o 115.253 30.316 3.2401  1.4995 1.5717  2.2561  4.5603  2.0069 93.285  37.440 134.557 34.917 -41.27191      51.19587 
1 1 1 2   50 7  o 194.710 26.477 8.8556  2.1266 3.9794  6.1783  9.5110  2.2650 131.113 57.631 201.329 27.267 -70.21556      63.75630 
1 1 1 2   50 8  o 48.740  23.367 -1.7115 1.3855 -1.0469 2.0434  -2.2770 1.8849 66.826  30.860 56.339  27.074 10.48755       41.05294 
1 1 1 2   50 9  o 271.551 21.002 16.606  2.3964 12.495  4.0108  18.889  2.9885 212.985 45.826 286.331 24.894 -73.34647      52.15069 
1 1 1 2   50 10 o 81.293  34.874 0.5571  2.1517 2.4558  2.9921  -1.4761 3.0964 106.907 43.043 79.994  37.297 26.91260       56.95441 
1 1 1 2   51 0  o 104.278 33.075 2.6503  1.6397 0.8326  2.9106  3.4953  1.9846 93.160  40.267 117.630 36.251 -24.46950      54.18128 
1 1 1 2   51 1  o 92.775  31.295 2.0050  1.4580 -4.6755 2.8457  4.3830  1.6978 62.968  30.923 134.042 30.585 -71.07335      43.49342 
1 1 1 2   51 2  o 272.709 21.963 16.794  2.5150 15.278  5.5680  17.182  2.8189 220.445 58.625 273.750 24.577 -53.30498      63.56857 
1 1 1 2   51 3  o 218.446 22.404 10.846  2.0432 15.663  3.2679  7.7547  2.6181 255.620 30.808 174.761 36.550 80.85907       47.80227 
1 1 1 2   51 4  o 187.450 26.813 8.2572  2.0679 8.2231  3.7887  8.2716  2.4679 167.265 49.788 183.173 33.029 -15.90871      59.74711 
1 1 1 2   51 5  o 160.226 26.007 6.0377  1.7042 6.3824  2.6560  5.7965  2.2218 154.773 40.172 150.830 35.393 3.942123       53.53915 
1 1 1 2   51 6  o 72.118  31.522 0.1094  1.8255 -1.4742 2.1642  4.0141  3.3983 65.973  30.897 122.779 46.912 -56.80598      56.17307 
1 1 1 2   51 7  o 181.600 29.601 7.9531  2.1980 7.1523  5.6238  8.0974  2.3880 146.678 59.026 181.256 32.294 -34.57802      67.28297 
1 1 1 2   51 8  o 132.350 30.432 4.3149  1.6701 -0.4159 2.4861  8.2054  2.2545 77.843  35.213 184.247 29.920 -106.4038      46.20776 
1 1 1 2   52 0  o 59.401  27.257 -0.7550 1.5591 -3.8772 2.7678  0.6962  1.8870 64.128  31.280 78.671  33.159 -14.54311      45.58475 
1 1 1 2   52 1  o 101.703 31.369 2.5511  1.4857 -1.1252 2.7111  4.1289  1.7761 76.303  35.345 127.961 32.664 -51.65829      48.12666 
1 1 1 2   52 2  f 166.563 26.466 6.5679  1.8044 8.2387  3.1045  5.7154  2.2175 173.356 42.592 148.963 35.630 24.39297       55.53059 
1 1 1 2   52 3  o 119.741 32.208 3.6098  1.6689 3.2442  3.0354  3.7682  1.9979 113.645 44.095 120.432 36.225 -6.786888      57.06701 
1 1 1 2   52 4  o 103.437 34.843 2.6624  1.8074 2.7100  3.1394  2.6389  2.2104 108.851 43.997 104.070 38.228 4.781006       58.28464 
1 1 1 2   52 5  o 58.646  27.216 -0.9997 1.6184 -0.2997 2.8373  -1.3373 1.9704 82.858  37.537 63.136  29.541 19.72184       47.76709 
1 1 1 2   52 6  o 111.737 36.425 3.2089  1.9792 2.5780  2.4114  4.5113  3.4645 104.094 39.578 126.560 47.596 -22.46618      61.90188 
1 1 1 2   52 7  o 172.522 27.538 7.1030  1.9443 8.8174  2.5091  4.5262  3.0761 188.579 32.597 127.226 45.315 61.35268       55.82123 
1 1 1 2   53 0  o 102.577 37.541 2.5876  2.1289 4.1559  2.9058  0.7704  3.1279 122.307 43.992 92.610  40.845 29.69698       60.03027 
1 1 1 2   53 1  o 94.966  32.737 2.1796  1.5968 1.4893  2.8488  2.4958  1.9282 95.648  40.551 100.734 35.877 -5.086563      54.14415 
1 1 1 2   53 2  o 167.096 27.249 6.6872  1.8618 12.631  3.2581  3.8053  2.2687 222.283 35.828 119.237 39.004 103.0462       52.96196 
1 1 1 2   53 3  o 136.136 36.799 4.8987  2.1722 3.9948  3.2550  5.6245  2.9167 120.546 45.947 140.187 44.071 -19.64103      63.66632 
1 1 1 2   53 4  o 138.406 37.025 5.0685  2.2126 10.542  3.2669  0.4297  3.0074 198.418 40.255 89.187  39.657 109.2302       56.50758 
1 1 1 3   0  0  o 164.645 22.960 6.0790  1.5118 5.6508  2.1443  6.5023  2.1319 149.849 39.104 165.081 34.623 0.000000       0.000000 
1 1 1 3   0  1  o 565.714 30.734 68.671  7.3134 0.0000  0.0000  68.671  7.3134 565.714 30.734 565.714 30.734 0.000000       0.000000 
1 1 1 3   0  2  f 857.336 32.397 157.089 11.724 157.089 11.724  0.0000  0.0000 857.336 32.397 857.336 32.397 0.000000       0.000000 
1 1 1 3   0  3  o 671.216 22.052 95.928  6.2529 97.828  8.8234  94.011  8.8627 676.057 30.966 662.466 31.757 0.000000       0.000000 
1 1 1 3   0  4  o 430.560 21.489 39.633  3.8960 34.806  5.4880  44.538  5.5319 400.432 32.872 454.977 28.980 0.000000       0.000000 
1 1 1 3   0  5  o 1091.91 24.309 253.596 11.228 255.815 15.855  251.363 15.903 1094.26 34.289 1084.55 34.706 0.000000       0.000000 
1 1 1 3   0  6  o 271.750 22.248 15.991  2.5209 18.132  3.5751  13.874  3.5553 287.293 30.144 247.650 36.150 0.000000       0.000000 
1 1 1 3   0  7  o 363.250 21.805 28.323  3.3267 25.957  4.6902  30.717  4.7192 344.404 32.843 376.293 30.055 0.000000       0.000000 
1 1 1 3   0  8  o 936.898 33.635 188.097 13.306 0.0000  0.0000  188.097 13.306 936.898 33.635 936.898 33.635 0.000000       0.000000 
1 1 1 3   0  9  o 412.108 22.075 36.414  3.8274 40.402  5.4097  32.416  5.4158 432.184 29.885 385.142 33.804 0.000000       0.000000 
1 1 1 3   0  10 o 63.343  35.981 1.1221  1.4989 1.1221  1.4989  0.0000  0.0000 63.343  35.981 63.343  35.981 0.000000       0.000000 
1 1 1 3   0  11 o 362.380 22.221 28.220  3.3808 27.314  4.7253  29.171  4.8391 353.523 32.175 365.747 31.795 0.000000       0.000000 
1 1 1 3   0  12 o 876.031 23.544 163.388 8.7203 171.829 12.265  154.760 12.401 896.287 32.410 849.806 34.587 0.000000       0.000000 
1 1 1 3   0  13 o 386.221 22.413 31.974  3.6376 36.620  5.1255  27.259  5.1634 411.876 29.741 352.626 35.394 0.000000       0.000000 
1 1 1 3   0  14 o 941.866 34.354 189.383 13.661 0.0000  0.0000  189.383 13.661 941.866 34.354 941.866 34.354 0.000000       0.000000 
1 1 1 3   0  15 o 114.801 38.057 3.5869  1.6458 5.7656  2.3018  1.3076  2.3542 149.926 41.897 74.017  43.729 0.000000       0.000000 
1 1 1 3   0  16 o 336.171 33.760 24.731  4.6951 0.0000  0.0000  24.731  4.6951 336.171 33.760 336.171 33.760 0.000000       0.000000 
1 1 1 3   0  17 o 96.393  46.533 2.9123  2.2078 2.9123  2.2078  0.0000  0.0000 96.393  46.533 96.393  46.533 0.000000       0.000000 
1 1 1 3   0  18 o 964.181 24.276 197.696 9.8982 196.880 13.795  198.562 14.211 960.198 34.022 964.091 34.910 0.000000       0.000000 
1 1 1 3   0  19 o 235.671 26.479 12.235  2.5570 11.891  3.5443  12.607  3.6925 225.962 41.055 233.135 41.254 0.000000       0.000000 
1 1 1 3   0  20 o 1242.39 26.049 328.335 13.692 320.384 19.074  336.787 19.666 1224.42 36.860 1255.39 37.064 0.000000       0.000000 
1 1 1 3   0  21 o 50.041  31.448 0.2616  1.3946 -0.0000 1.8947  0.5710  2.0603 54.790  35.311 62.619  38.854 0.000000       0.000000 
1 1 1 3   0  22 o 1308.80 26.597 364.875 14.728 352.431 20.513  378.116 21.160 1282.35 37.848 1328.44 37.680 0.000000       0.000000 
1 1 1 3   0  23 o 294.970 37.117 19.478  4.4372 0.0000  0.0000  19.478  4.4372 294.970 37.117 294.970 37.117 0.000000       0.000000 
1 1 1 3   0  24 o 115.248 49.793 4.0896  2.5020 4.0896  2.5020  0.0000  0.0000 115.248 49.793 115.248 49.793 0.000000       0.000000 
1 1 1 3   0  25 o 315.178 24.602 21.561  3.2377 24.487  4.4552  18.286  4.7132 333.567 32.230 282.394 42.184 0.000000       0.000000 
1 1 1 3   0  26 o 501.813 23.757 54.123  5.0228 55.946  6.8393  51.988  7.4006 507.188 32.138 486.852 36.361 0.000000       0.000000 
1 1 1 3   0  27 o 151.067 57.043 6.7690  3.4190 0.0000  0.0000  6.7690  3.4190 151.067 57.043 151.067 57.043 0.000000       0.000000 
1 1 1 3   0  28 o 66.283  41.131 0.7368  2.3092 0.0000  0.0000  0.7368  2.3092 66.283  41.131 66.283  41.131 0.000000       0.000000 
1 1 1 3   0  29 o 304.627 40.023 21.318  4.9161 0.0000  0.0000  21.318  4.9161 304.627 40.023 304.627 40.023 0.000000       0.000000 
1 1 1 3   1  0  o 264.602 14.707 14.902  1.6415 15.599  2.3177  14.201  2.3253 270.110 20.412 257.500 21.520 12.61066       29.66110 
1 1 1 3   1  1  o 591.569 21.465 74.433  5.3775 70.125  7.6142  78.721  7.5956 571.868 31.562 607.157 29.540 -35.28931      43.22980 
1 1 1 3   1  2  o 303.435 21.223 19.675  2.7100 17.242  3.8169  22.149  3.8483 282.100 32.546 320.912 28.617 -38.81274      43.33791 
1 1 1 3   1  3  o 1015.42 16.745 218.914 7.2005 226.656 10.185  211.180 10.181 1031.92 23.307 995.882 24.139 36.03931       33.55494 
1 1 1 3   1  4  o 562.203 15.284 67.078  3.6390 69.791  5.1568  64.387  5.1359 572.856 21.256 550.141 22.044 22.71484       30.62333 
1 1 1 3   1  5  o 523.054 15.259 58.069  3.3799 59.868  4.7884  56.283  4.7715 530.489 21.314 514.295 21.908 16.19458       30.56547 
1 1 1 3   1  6  o 971.007 16.676 200.266 6.8574 195.635 9.7033  204.887 9.6925 958.146 23.913 980.689 23.338 -22.54352      33.41426 
1 1 1 3   1  7  o 463.707 15.262 45.664  2.9972 40.869  4.2316  50.491  4.2457 437.294 22.930 487.018 20.586 -49.72369      30.81475 
1 1 1 3   1  8  o 470.522 21.870 47.204  4.3578 45.547  6.1960  48.827  6.1302 459.305 32.055 476.038 30.570 -16.73248      44.29490 
1 1 1 3   1  9  o 321.626 15.423 21.990  2.1007 21.667  2.9768  22.311  2.9649 317.819 22.257 322.606 21.830 -4.786346      31.17604 
1 1 1 3   1  10 o 334.534 21.848 23.988  3.0783 23.244  4.3284  24.749  4.3788 327.108 31.641 337.805 30.953 -10.69739      44.26308 
1 1 1 3   1  11 o 261.401 16.016 14.578  1.7644 13.359  2.4962  15.796  2.4943 248.987 23.969 271.286 21.898 -22.29921      32.46592 
1 1 1 3   1  12 o 517.661 15.660 56.908  3.4332 55.594  4.8472  58.230  4.8633 510.871 22.404 522.907 21.962 -12.03528      31.37302 
1 1 1 3   1  13 o 838.218 16.463 149.137 5.8440 143.911 8.2473  154.407 8.2820 822.330 23.682 851.920 22.956 -29.59009      32.98218 
1 1 1 3   1  14 o 309.731 18.547 20.436  2.4216 18.905  2.9451  23.631  4.2548 297.286 23.586 331.567 30.648 -34.28113      38.67336 
1 1 1 3   1  15 o 232.688 19.506 11.573  1.9044 10.982  2.3432  12.722  3.2688 225.939 24.903 242.137 32.715 -16.19847      41.11443 
1 1 1 3   1  16 o 299.382 23.554 19.164  2.9622 21.080  4.2262  17.314  4.1532 312.815 32.371 282.627 35.482 30.18719       48.02922 
1 1 1 3   1  17 o 724.764 22.828 111.645 7.0066 116.409 9.8864  106.838 9.9314 738.798 31.599 707.519 33.146 31.27905       45.79438 
1 1 1 3   1  18 o 1220.21 20.978 316.411 10.840 313.304 13.322  322.501 18.651 1213.05 25.933 1227.65 35.873 -14.59937      44.26503 
1 1 1 3   1  19 o 446.812 16.087 42.373  3.0440 41.185  4.3080  43.557  4.3018 439.339 23.237 452.510 22.448 -13.17087      32.30905 
1 1 1 3   1  20 o 644.880 16.364 88.286  4.4690 91.577  6.3266  85.009  6.3136 655.995 22.773 631.920 23.593 24.07532       32.79062 
1 1 1 3   1  21 o 281.594 17.226 16.906  2.0444 19.177  2.9242  14.735  2.8593 299.191 23.262 261.567 26.163 37.62436       35.00924 
1 1 1 3   1  22 o 756.756 16.701 121.716 5.3522 121.812 7.5732  121.621 7.5651 755.635 23.666 755.044 23.659 0.5902100      33.46392 
1 1 1 3   1  23 o 195.701 27.991 8.3766  2.2537 6.1589  3.1132  10.819  3.2669 164.957 43.822 220.914 36.171 -55.95770      56.82181 
1 1 1 3   1  24 o 481.213 32.691 50.309  6.6225 0.0000  0.0000  50.309  6.6225 ?       ?      481.213 32.691 0.000000       32.69075 
1 1 1 3   1  25 o 471.395 19.400 47.467  3.8729 43.069  6.7184  49.656  4.7396 442.944 36.130 481.225 23.257 -38.28101      42.96835 
1 1 1 3   1  26 o 364.395 19.965 28.533  3.0692 26.081  5.4724  29.658  3.7071 341.612 38.499 370.420 23.757 -28.80792      45.23870 
1 1 1 3   1  27 o 475.142 19.755 48.452  3.9751 47.597  7.0454  48.851  4.8146 462.441 36.266 475.012 24.012 -12.57126      43.49466 
1 1 1 3   1  28 f 251.043 22.596 13.724  2.3766 13.594  4.3788  13.779  2.8296 240.808 44.580 250.036 27.159 -9.228577      52.20142 
1 1 1 3   1  29 o 482.002 25.198 50.796  5.1256 55.064  7.2834  46.609  7.2144 494.801 34.984 452.705 37.982 42.09631       51.63809 
1 1 1 3   2  0  o 479.754 14.681 48.839  2.9828 50.183  4.2013  47.472  4.2357 485.835 20.420 472.458 21.170 13.37659       29.41297 
1 1 1 3   2  1  o 179.758 21.280 6.9672  1.5885 5.2057  2.2434  8.7386  2.2497 152.867 35.357 200.640 27.175 -47.77303      44.59392 
1 1 1 3   2  2  o 1101.80 24.081 258.494 11.236 260.974 15.799  255.955 15.983 1104.09 33.789 1093.16 34.526 10.93323       48.30869 
1 1 1 3   2  3  o 985.924 16.559 206.369 6.9138 204.340 9.7509  208.419 9.8046 979.762 23.501 989.516 23.397 -9.754089      33.16182 
1 1 1 3   2  4  o 899.210 16.275 171.654 6.1978 172.365 8.7406  170.936 8.7896 899.929 22.934 896.145 23.161 3.783936       32.59446 
1 1 1 3   2  5  o 885.693 16.273 166.560 6.1036 160.988 8.5989  172.219 8.6651 869.490 23.353 899.438 22.749 -29.94763      32.60143 
1 1 1 3   2  6  f 355.130 15.148 26.774  2.2782 25.224  3.2094  28.348  3.2343 343.485 22.182 364.386 21.049 -20.90158      30.57951 
1 1 1 3   2  7  o 898.500 16.403 171.527 6.2416 165.841 8.7987  177.286 8.8556 881.888 23.559 911.981 22.929 -30.09302      32.87526 
1 1 1 3   2  8  o 564.073 22.046 67.853  5.2664 64.585  7.4842  71.059  7.4121 547.151 32.444 574.591 30.571 -27.44012      44.57781 
1 1 1 3   2  9  o 317.332 15.324 21.406  2.0593 21.575  2.8989  21.234  2.9259 317.238 21.708 314.637 22.099 2.601532       30.97762 
1 1 1 3   2  10 o 445.430 17.828 42.237  3.3630 38.363  5.7439  44.258  4.1484 420.731 32.489 455.408 21.510 -34.67670      38.96410 
1 1 1 3   2  11 o 475.484 15.521 48.044  3.1253 47.029  4.4068  49.072  4.4329 469.560 22.161 479.707 21.821 -10.14676      31.10067 
1 1 1 3   2  12 o 311.690 15.844 20.685  2.0844 17.271  2.9315  24.176  2.9644 283.532 24.660 336.392 20.913 -52.85925      32.33332 
1 1 1 3   2  13 o 420.361 15.682 37.498  2.7917 37.197  3.9336  37.804  3.9627 417.612 22.323 421.017 22.305 -3.405792      31.55680 
1 1 1 3   2  14 o 633.987 22.499 85.417  6.0407 81.909  8.4433  89.095  8.6461 618.821 32.331 646.364 31.586 -27.54266      45.19913 
1 1 1 3   2  15 o 341.158 18.528 24.772  2.6669 25.054  3.2697  24.211  4.6095 342.669 22.660 335.408 32.874 7.261047       39.92706 
1 1 1 3   2  16 o 719.313 23.245 109.947 7.0808 121.947 10.110  98.394  9.9202 756.425 31.561 678.144 34.658 78.28033       46.87513 
1 1 1 3   2  17 o 874.434 23.503 162.557 8.7037 156.995 12.272  168.188 12.346 857.516 33.793 887.761 32.839 -30.24524      47.12077 
1 1 1 3   2  18 o 522.170 22.787 57.982  5.0391 55.906  7.2090  59.966  7.0463 510.398 33.539 529.069 31.593 -18.67078      46.07602 
1 1 1 3   2  19 o 391.561 16.238 32.543  2.6926 33.837  3.8107  31.253  3.8052 398.176 22.693 382.493 23.607 15.68274       32.74517 
1 1 1 3   2  20 o 1098.60 17.768 256.340 8.2664 275.655 11.739  237.342 11.643 1137.71 24.364 1055.26 26.052 82.45300       35.67002 
1 1 1 3   2  21 o 507.265 18.901 54.694  4.0603 56.284  7.1609  53.941  4.9292 511.510 33.238 503.282 23.127 8.227814       40.49236 
1 1 1 3   2  22 o 372.810 19.276 29.655  3.0329 32.523  5.3794  28.319  3.6721 387.713 33.079 363.523 23.988 24.19037       40.86137 
1 1 1 3   2  23 o 382.808 24.030 31.455  3.8758 26.726  5.4125  36.432  5.5527 349.352 37.154 409.974 32.242 -60.62302      49.19347 
1 1 1 3   2  24 o 367.027 32.855 29.366  5.0527 0.0000  0.0000  29.366  5.0527 ?       ?      367.027 32.855 0.000000       32.85500 
1 1 1 3   2  25 o 782.032 19.681 130.678 6.5179 126.302 11.391  132.808 7.9474 761.221 35.336 786.715 23.854 -25.49414      42.63425 
1 1 1 3   2  26 o 355.212 19.899 27.116  2.9814 21.239  5.2383  29.933  3.6260 306.583 41.405 372.323 23.111 -65.73956      47.41796 
1 1 1 3   2  27 o 327.527 20.476 23.132  2.8259 22.342  5.0840  23.486  3.3995 314.595 38.996 328.729 24.597 -14.13364      46.10554 
1 1 1 3   2  28 o 380.718 20.248 31.289  3.2529 30.449  5.8522  31.665  3.9131 366.785 38.238 381.392 24.355 -14.60696      45.33546 
1 1 1 3   2  29 o 398.882 20.325 34.433  3.4219 44.207  6.2133  30.178  4.0997 444.366 33.258 370.654 26.289 73.71121       42.39317 
1 1 1 3   3  0  o 419.449 20.258 37.404  3.5985 40.177  5.0436  34.529  5.1356 433.113 27.642 400.869 30.480 32.24319       41.14715 
1 1 1 3   3  1  o 446.471 16.791 42.324  3.1748 42.156  5.4634  42.410  3.9011 443.406 29.260 446.611 20.626 -3.204407      35.79879 
1 1 1 3   3  2  o 711.974 21.885 107.833 6.5986 107.451 9.3169  108.218 9.3469 709.058 31.028 711.588 31.017 -2.529785      43.87193 
1 1 1 3   3  3  o 1103.11 16.970 258.378 7.9276 259.001 11.200  257.751 11.222 1102.93 23.979 1100.24 24.085 2.690674       33.98696 
1 1 1 3   3  4  o 496.953 15.040 52.410  3.1653 52.368  4.4726  52.451  4.4803 496.204 21.284 496.595 21.304 -0.3914795     30.11430 
1 1 1 3   3  5  o 800.938 15.922 136.196 5.4007 133.266 7.6252  139.146 7.6504 791.180 22.758 808.526 22.343 -17.34540      31.89263 
1 1 1 3   3  6  o 1050.90 16.942 234.617 7.5399 229.075 10.640  240.206 10.686 1036.64 24.237 1061.66 23.767 -25.02283      33.94609 
1 1 1 3   3  7  o 416.300 15.164 36.806  2.6733 35.039  3.7575  38.616  3.8043 404.942 21.993 425.828 21.096 -20.88623      30.47512 
1 1 1 3   3  8  o 921.943 23.524 181.466 9.1846 195.205 13.059  168.018 12.920 952.727 32.367 882.946 34.553 69.78064       47.34474 
1 1 1 3   3  9  o 679.874 18.266 98.422  5.2592 96.904  6.4263  101.500 9.1518 673.636 22.527 686.679 31.471 -13.04321      38.70206 
1 1 1 3   3  10 o 221.478 18.690 10.520  1.7366 11.143  2.9829  10.201  2.1359 225.304 32.177 217.239 23.596 8.064423       39.90141 
1 1 1 3   3  11 o 584.289 15.687 72.550  3.8815 71.459  5.4860  73.643  5.4926 578.803 22.381 587.641 22.071 -8.838257      31.43324 
1 1 1 3   3  12 o 724.302 16.076 111.417 4.9311 106.908 6.9606  115.959 6.9867 708.352 23.204 737.893 22.358 -29.54095      32.22253 
1 1 1 3   3  13 o 391.721 15.649 32.562  2.5960 33.482  3.6526  31.622  3.6902 396.217 21.853 384.907 22.740 11.31000       31.53796 
1 1 1 3   3  14 o 1091.32 24.629 253.267 11.383 259.585 16.006  246.803 16.190 1102.63 34.278 1074.80 35.570 27.83057       49.39835 
1 1 1 3   3  15 o 719.545 18.670 109.875 5.6891 109.211 6.9713  111.199 9.8436 716.959 22.960 722.281 32.181 -5.322327      39.53229 
1 1 1 3   3  16 o 981.090 24.465 204.619 10.165 179.240 14.322  230.379 14.429 915.932 36.922 1039.39 32.780 -123.4561      49.37385 
1 1 1 3   3  17 o 705.483 32.757 106.213 9.7867 0.0000  0.0000  106.213 9.7867 ?       ?      705.483 32.757 0.000000       32.75711 
1 1 1 3   3  18 o 605.919 18.756 77.967  4.8127 76.898  8.3685  78.496  5.8829 599.012 33.117 607.539 22.865 -8.527344      40.24409 
1 1 1 3   3  19 o 688.818 19.077 100.803 5.5650 105.671 9.7505  98.451  6.7771 702.975 32.753 680.145 23.529 22.82977       40.32789 
1 1 1 3   3  20 o 574.868 18.939 70.220  4.6108 70.096  8.0867  70.280  5.6125 571.284 33.573 574.631 23.063 -3.346924      40.73146 
1 1 1 3   3  21 o 925.465 19.929 182.135 7.8107 191.730 13.701  177.515 9.5069 945.603 34.213 912.632 24.598 32.97083       42.13772 
1 1 1 3   3  22 o 589.022 19.023 73.827  4.7451 72.978  8.3252  74.236  5.7750 581.564 33.951 589.959 23.114 -8.395447      41.07212 
1 1 1 3   3  23 o 487.540 23.683 50.817  4.8898 47.584  6.8711  54.134  6.9603 467.942 34.925 499.910 33.064 -31.96829      48.09313 
1 1 1 3   3  24 o 126.605 39.024 3.5093  2.2996 0.0000  0.0000  3.5093  2.2996 ?       ?      126.605 39.024 0.000000       39.02380 
1 1 1 3   3  25 o 736.090 19.629 115.779 6.1189 115.541 10.693  115.894 7.4613 728.377 34.665 734.822 23.977 -6.444336      42.14900 
1 1 1 3   3  26 o 314.293 20.626 21.273  2.7301 30.689  5.1250  17.543  3.2259 373.384 32.742 283.457 27.207 89.92722       42.57086 
1 1 1 3   3  27 o 451.873 19.530 43.814  3.7373 48.347  6.6287  41.701  4.5251 467.551 33.704 438.567 24.461 28.98383       41.64483 
1 1 1 3   3  28 o 204.072 23.487 9.1282  1.9927 10.947  3.4708  8.2336  2.4339 217.911 39.044 191.249 31.121 26.66127       49.92941 
1 1 1 3   3  29 o 299.289 20.990 19.453  2.6436 23.753  4.8839  17.671  3.1440 323.310 36.297 283.064 26.537 40.24600       44.96326 
1 1 1 3   4  0  o 335.898 27.590 24.227  3.8900 24.227  3.8900  0.0000  0.0000 335.898 27.590 ?       ?      0.000000       27.58974 
1 1 1 3   4  1  o 776.183 30.633 128.737 10.069 0.0000  0.0000  128.737 10.069 ?       ?      776.183 30.633 0.000000       30.63311 
1 1 1 3   4  2  o 237.587 20.838 12.094  2.0755 11.795  2.9260  12.396  2.9444 233.069 30.366 239.145 29.713 -6.076202      42.48492 
1 1 1 3   4  3  o 802.506 22.118 137.010 7.5169 145.164 10.607  128.781 10.654 824.330 30.383 775.948 32.423 48.38220       44.43407 
1 1 1 3   4  4  o 552.570 17.365 64.848  4.0634 67.853  7.0206  63.334  4.9829 562.872 29.556 545.637 21.564 17.23462       36.58637 
1 1 1 3   4  5  o 1095.07 19.646 254.966 9.1110 264.596 15.785  250.155 11.157 1111.20 33.544 1083.51 24.315 27.69385       41.42950 
1 1 1 3   4  6  f 785.971 18.357 131.321 6.1103 123.522 10.558  135.248 7.4926 759.009 32.846 796.916 22.201 -37.90649      39.64526 
1 1 1 3   4  7  o 889.761 18.857 168.421 7.1056 176.762 12.349  164.292 8.6879 907.499 32.132 877.688 23.374 29.81079       39.73445 
1 1 1 3   4  8  o 447.833 21.710 42.773  4.1174 38.486  5.8096  47.099  5.8362 421.663 32.792 467.596 29.625 -45.93314      44.19249 
1 1 1 3   4  9  f 655.654 31.886 92.586  8.8536 0.0000  0.0000  92.586  8.8536 ?       ?      655.654 31.886 0.000000       31.88603 
1 1 1 3   4  10 o 397.852 17.907 33.695  3.0172 35.775  5.2097  32.645  3.7010 406.827 30.459 390.378 22.482 16.44968       37.85774 
1 1 1 3   4  11 o 415.711 18.017 36.764  3.1720 41.536  5.5152  34.405  3.8774 439.117 29.834 400.939 22.931 38.17825       37.62886 
1 1 1 3   4  12 o 450.223 18.130 43.080  3.4567 37.694  5.9367  45.843  4.2518 417.908 33.835 464.071 21.635 -46.16318      40.16018 
1 1 1 3   4  13 o 240.088 19.481 12.325  1.9637 9.6123  3.2964  13.818  2.4448 208.482 38.763 253.848 22.992 -45.36615      45.06863 
1 1 1 3   4  14 o 581.526 32.031 72.336  7.8579 0.0000  0.0000  72.336  7.8579 ?       ?      581.526 32.031 0.000000       32.03104 
1 1 1 3   4  15 o 611.823 22.661 79.523  5.8715 86.502  8.3485  72.692  8.2593 637.205 30.937 582.864 33.603 54.34106       45.67576 
1 1 1 3   4  16 o 1017.97 24.603 220.311 10.606 220.066 15.050  220.552 14.950 1015.32 35.002 1016.51 34.728 -1.185974      49.30655 
1 1 1 3   4  17 o 184.828 26.531 7.4174  2.0171 0.0000  0.0000  7.4174  2.0171 ?       ?      184.828 26.531 0.000000       26.53069 
1 1 1 3   4  18 o 671.838 18.931 95.863  5.3863 89.400  9.3826  99.039  6.5783 645.671 34.438 682.422 22.762 -36.75110      41.28098 
1 1 1 3   4  19 o 538.796 18.729 61.670  4.2735 64.913  7.4698  60.091  5.2105 550.130 32.203 531.402 23.153 18.72784       39.66223 
1 1 1 3   4  20 o 841.072 19.549 150.349 6.9632 135.340 12.078  157.821 8.5222 794.490 35.896 861.032 23.372 -66.54150      42.83430 
1 1 1 3   4  21 o 817.781 19.554 142.200 6.7720 140.336 11.794  143.117 8.2713 808.877 34.431 819.585 23.831 -10.70837      41.87325 
1 1 1 3   4  22 o 660.775 19.204 92.927  5.3738 84.142  9.3306  97.286  6.5735 623.998 35.455 675.355 22.984 -51.35669      42.25309 
1 1 1 3   4  23 o 382.925 24.002 31.480  3.8727 28.113  5.4309  34.963  5.5239 358.579 36.262 401.339 32.787 -42.75964      48.88689 
1 1 1 3   4  24 o 558.409 32.933 67.725  7.7536 0.0000  0.0000  67.725  7.7536 ?       ?      558.409 32.933 0.000000       32.93317 
1 1 1 3   4  25 o 672.870 19.384 96.734  5.5237 90.036  9.6111  100.037 6.7498 641.544 35.514 682.891 23.340 -41.34619      42.49672 
1 1 1 3   4  26 o 199.210 23.397 8.6550  1.9363 5.7844  3.4855  9.9363  2.3287 158.449 47.889 212.836 26.403 -54.38724      54.68492 
1 1 1 3   4  27 o 125.281 31.414 3.5692  1.6636 3.5201  2.9915  3.5912  2.0017 129.062 44.790 125.699 35.849 3.362579       57.37028 
1 1 1 3   4  28 o 719.790 19.885 111.511 6.0615 104.432 10.559  114.991 7.4028 682.612 36.660 728.242 24.004 -45.63043      43.81920 
1 1 1 3   4  29 o 418.785 19.947 37.843  3.5377 27.433  6.0683  43.203  4.3541 343.384 42.648 445.462 23.160 -102.0784      48.53083 
1 1 1 3   5  0  o 711.933 20.137 107.751 6.0714 113.844 8.4828  101.351 8.6936 730.548 27.419 688.843 29.801 41.70544       40.49566 
1 1 1 3   5  1  o 516.441 28.793 57.105  6.2722 0.0000  0.0000  57.105  6.2722 ?       ?      516.441 28.793 0.000000       28.79290 
1 1 1 3   5  2  o 1651.55 27.602 581.835 19.305 586.919 27.244  576.708 27.359 1652.75 38.925 1638.00 39.441 14.75647       55.41393 
1 1 1 3   5  3  o 607.380 21.026 78.450  5.4082 79.683  7.6339  77.208  7.6630 610.870 29.509 600.447 30.233 10.42236       42.24671 
1 1 1 3   5  4  o 581.383 21.261 71.901  5.2346 72.817  7.3623  70.966  7.4440 583.016 29.919 575.370 30.661 7.646484       42.84001 
1 1 1 3   5  5  o 190.457 17.843 7.7745  1.4224 9.0764  2.4445  7.1080  1.7489 204.103 29.105 181.213 23.331 22.88991       37.30232 
1 1 1 3   5  6  o 829.913 18.440 146.436 6.4810 150.976 11.199  144.150 7.9469 839.416 31.504 822.524 22.814 16.89191       38.89727 
1 1 1 3   5  7  o 572.513 17.711 69.700  4.2941 71.603  7.4036  68.735  5.2714 577.128 30.399 567.896 21.918 9.231812       37.47686 
1 1 1 3   5  8  o 557.608 21.711 66.327  5.1270 62.739  7.2692  69.880  7.2322 539.087 31.984 569.654 30.086 -30.56653      43.91030 
1 1 1 3   5  9  o 429.594 31.312 39.930  5.6573 0.0000  0.0000  39.930  5.6573 ?       ?      429.594 31.312 0.000000       31.31163 
1 1 1 3   5  10 o 244.283 18.763 12.782  1.9262 13.757  3.2540  12.257  2.3900 251.036 31.287 238.290 24.011 12.74606       39.43875 
1 1 1 3   5  11 o 293.041 18.386 18.340  2.2701 19.760  3.8862  17.605  2.7969 301.966 30.822 286.335 23.266 15.63123       38.61726 
1 1 1 3   5  12 o 619.341 18.353 81.522  4.8137 79.696  8.3162  82.443  5.9031 609.172 32.352 622.266 22.401 -13.09375      39.35026 
1 1 1 3   5  13 o 708.603 18.654 106.634 5.5977 112.423 9.7320  103.772 6.8429 725.580 31.672 698.478 23.134 27.10211       39.22069 
1 1 1 3   5  14 o 1208.26 25.487 310.518 13.042 0.0000  0.0000  310.518 13.042 ?       ?      1208.26 25.487 0.000000       25.48733 
1 1 1 3   5  15 o 616.878 22.679 80.842  5.9246 74.887  8.3952  86.751  8.3622 591.621 33.646 638.124 30.944 -46.50275      45.71221 
1 1 1 3   5  16 f 882.095 33.907 166.035 12.666 166.035 12.666  0.0000  0.0000 882.095 33.907 ?       ?      0.000000       33.90736 
1 1 1 3   5  17 f 499.013 22.780 52.933  4.8140 0.0000  0.0000  52.933  4.8140 ?       ?      499.013 22.780 0.000000       22.77970 
1 1 1 3   5  18 o 671.360 18.862 95.727  5.3629 96.750  9.3260  95.222  6.5551 672.899 32.727 669.077 23.134 3.822327       40.07786 
1 1 1 3   5  19 o 694.114 19.087 102.365 5.6106 114.519 9.8303  96.493  6.8329 731.981 31.712 673.252 23.965 58.72931       39.74894 
1 1 1 3   5  20 o 162.435 24.571 5.7446  1.6374 4.8827  2.8860  6.1537  1.9884 148.928 43.219 167.421 29.101 -18.49387      52.10317 
1 1 1 3   5  21 o 671.353 19.207 95.828  5.4608 90.633  9.4621  98.423  6.6868 649.060 34.548 679.739 23.229 -30.67847      41.63126 
1 1 1 3   5  22 o 756.216 19.531 121.744 6.2547 121.219 10.903  122.002 7.6363 750.385 34.308 756.018 23.851 -5.632874      41.78437 
1 1 1 3   5  23 o 257.650 35.755 14.628  3.7962 14.628  3.7962  0.0000  0.0000 257.650 35.755 ?       ?      0.000000       35.75510 
1 1 1 3   5  24 o 333.437 24.329 23.955  3.4117 0.0000  0.0000  23.955  3.4117 ?       ?      333.437 24.329 0.000000       24.32864 
1 1 1 3   5  25 o 506.655 19.273 54.848  4.1353 52.075  7.1561  56.238  5.0669 487.587 34.887 511.954 23.370 -24.36719      41.99129 
1 1 1 3   5  26 o 151.179 25.737 5.0683  1.5887 3.3902  2.7806  5.8817  1.9359 126.623 43.215 162.210 29.257 -35.58679      52.18773 
1 1 1 3   5  27 o 418.185 19.703 37.541  3.4894 41.021  6.1687  35.903  4.2314 430.139 34.145 406.692 24.685 23.44681       42.13323 
1 1 1 3   5  28 o 154.510 28.421 5.3761  1.7912 4.7098  3.2033  5.6793  2.1605 143.194 46.316 157.389 33.445 -14.19530      57.12914 
1 1 1 3   5  29 o 179.956 24.872 7.1812  1.8448 8.6035  3.1736  6.4553  2.2672 191.135 40.468 167.678 33.103 23.45680       52.28308 
1 1 1 3   6  0  o 381.539 26.447 31.182  4.2468 0.0000  0.0000  31.182  4.2468 ?       ?      381.539 26.447 0.000000       26.44674 
1 1 1 3   6  1  o 733.910 29.178 115.003 9.0688 0.0000  0.0000  115.003 9.0688 ?       ?      733.910 29.178 0.000000       29.17842 
1 1 1 3   6  2  o 1678.49 27.505 600.950 19.551 590.120 27.492  612.033 27.811 1657.07 39.176 1687.73 38.910 -30.65356      55.21562 
1 1 1 3   6  3  o 481.066 20.390 49.206  4.1540 48.714  5.8420  49.709  5.9079 476.780 29.072 481.636 29.102 -4.855499      41.13494 
1 1 1 3   6  4  o 1234.63 24.555 324.803 12.839 321.812 18.119  327.819 18.194 1225.01 34.926 1236.47 34.747 -11.46106      49.26622 
1 1 1 3   6  5  o 927.653 22.841 183.282 8.9733 181.537 12.649  185.049 12.732 920.505 32.447 929.399 32.348 -8.894409      45.81710 
1 1 1 3   6  6  o 1316.03 25.517 369.691 14.221 366.471 20.040  372.956 20.184 1304.97 36.263 1316.50 36.203 -11.53101      51.24083 
1 1 1 3   6  7  o 223.267 22.612 10.737  2.1085 8.8503  2.8772  12.926  3.0988 199.892 35.278 243.619 30.719 -43.72714      46.77839 
1 1 1 3   6  8  o 308.674 22.097 20.438  2.8695 16.884  4.0123  24.160  4.1054 277.565 34.906 334.206 29.303 -56.64026      45.57479 
1 1 1 3   6  9  o 499.610 31.560 53.963  6.6432 0.0000  0.0000  53.963  6.6432 ?       ?      499.610 31.560 0.000000       31.56001 
1 1 1 3   6  10 o 137.831 21.639 4.1489  1.2215 3.5845  2.0117  4.4785  1.5373 127.054 35.835 142.410 26.465 -15.35593      44.54832 
1 1 1 3   6  11 o 560.237 18.066 66.756  4.2863 70.882  7.4269  64.695  5.2486 574.117 30.657 550.849 22.499 23.26801       38.02751 
1 1 1 3   6  12 o 565.467 18.194 67.944  4.3568 72.219  7.5468  65.807  5.3357 580.296 30.820 555.965 22.662 24.33051       38.25488 
1 1 1 3   6  13 o 576.443 18.249 70.553  4.4550 63.723  7.6603  74.044  5.4764 545.098 33.344 590.175 21.911 -45.07690      39.89921 
1 1 1 3   6  14 f 1327.19 26.269 374.733 14.764 0.0000  0.0000  374.733 14.764 ?       ?      1327.19 26.269 0.000000       26.26878 
1 1 1 3   6  15 o 737.737 23.096 115.640 7.2158 107.739 10.166  123.664 10.244 710.700 33.776 761.739 31.755 -51.03967      46.35995 
1 1 1 3   6  16 o 1860.80 43.507 742.678 34.285 742.678 34.285  0.0000  0.0000 1860.80 43.507 ?       ?      0.000000       43.50745 
1 1 1 3   6  17 o 607.070 23.055 78.351  5.9272 0.0000  0.0000  78.351  5.9272 ?       ?      607.070 23.055 0.000000       23.05501 
1 1 1 3   6  18 o 815.550 19.294 141.289 6.6639 159.784 11.665  132.330 8.1191 864.900 31.848 788.526 24.314 76.37341       40.06769 
1 1 1 3   6  19 o 917.890 19.776 179.060 7.6873 167.542 13.314  184.820 9.4153 884.247 35.554 931.755 23.861 -47.50891      42.81890 
1 1 1 3   6  20 o 497.626 18.843 52.620  3.9710 59.461  6.9318  49.278  4.8448 526.471 31.230 481.062 23.781 45.40900       39.25395 
1 1 1 3   6  21 o 357.388 19.535 27.243  2.9454 31.222  5.0583  25.201  3.6230 380.560 31.674 342.858 25.128 37.70248       40.43056 
1 1 1 3   6  22 o 515.388 19.222 56.547  4.1955 56.426  7.2155  56.609  5.1568 511.015 33.528 514.965 23.646 -3.950409      41.02729 
1 1 1 3   6  23 o 626.270 33.704 84.986  8.9061 84.986  8.9061  0.0000  0.0000 626.270 33.704 ?       ?      0.000000       33.70417 
1 1 1 3   6  24 o 518.974 23.568 57.703  5.1797 0.0000  0.0000  57.703  5.1797 ?       ?      518.974 23.568 0.000000       23.56757 
1 1 1 3   6  25 o 206.379 23.108 9.2477  1.9850 12.065  3.3560  7.7317  2.4618 232.796 35.135 186.180 32.400 46.61554       47.79312 
1 1 1 3   6  26 o 320.609 20.145 22.130  2.7213 27.674  4.8766  19.622  3.2794 354.109 32.895 300.135 26.060 53.97400       41.96680 
1 1 1 3   6  27 o 238.460 22.770 12.369  2.2715 15.006  4.0431  11.153  2.7458 257.174 38.291 224.243 29.640 32.93161       48.42240 
1 1 1 3   6  28 o 347.915 20.310 26.170  2.9795 31.248  5.2669  23.781  3.6132 373.854 33.627 329.371 26.118 44.48291       42.57810 
1 1 1 3   6  29 o 119.104 30.609 3.2560  1.5523 2.9658  2.7785  3.3876  1.8716 119.600 43.017 121.299 34.688 -1.699120      55.26070 
1 1 1 3   7  0  o 412.780 25.846 36.456  4.4952 0.0000  0.0000  36.456  4.4952 ?       ?      412.780 25.846 0.000000       25.84553 
1 1 1 3   7  1  o 1132.45 22.299 272.878 10.694 278.621 15.031  266.991 15.218 1141.69 31.088 1117.24 32.165 24.45093       44.73246 
1 1 1 3   7  2  o 1245.18 23.623 330.104 12.457 333.185 17.451  326.904 17.787 1247.72 33.025 1235.52 33.994 12.20642       47.39504 
1 1 1 3   7  3  o 825.095 21.406 144.828 7.4798 143.874 10.478  145.820 10.681 820.488 30.155 825.924 30.537 -5.435730      42.91666 
1 1 1 3   7  4  o 505.731 20.440 54.401  4.3777 48.048  6.1172  61.071  6.2677 472.989 30.705 534.110 27.806 -61.12183      41.42434 
1 1 1 3   7  5  o 364.493 20.590 28.359  3.1652 23.914  4.4450  32.931  4.5084 332.617 31.949 391.734 27.348 -59.11661      42.05496 
1 1 1 3   7  6  o 700.419 21.706 104.511 6.4384 111.207 9.0723  97.717  9.1387 720.601 29.729 674.888 31.975 45.71368       43.65995 
1 1 1 3   7  7  f 331.018 21.330 23.451  2.9742 22.322  4.1577  24.635  4.2565 321.007 30.968 337.571 30.090 -16.56381      43.17892 
1 1 1 3   7  8  o 206.199 33.834 9.4018  2.8520 9.4018  2.8520  0.0000  0.0000 206.199 33.834 ?       ?      0.000000       33.83403 
1 1 1 3   7  9  o 79.855  32.215 0.6283  1.6797 0.0000  0.0000  0.6283  1.6797 ?       ?      79.855  32.215 0.000000       32.21550 
1 1 1 3   7  10 o 201.207 20.350 8.7154  1.7101 7.4540  2.8977  9.3896  2.1184 182.159 38.754 208.192 24.495 -26.03297      45.84658 
1 1 1 3   7  11 o 644.070 18.315 88.227  4.9956 94.365  8.6735  85.180  6.1110 663.406 30.872 632.079 22.829 31.32684       38.39648 
1 1 1 3   7  12 o 187.963 20.535 7.6015  1.6080 7.5048  2.7519  7.6517  1.9815 183.866 36.628 187.773 25.584 -3.907181      44.67818 
1 1 1 3   7  13 o 312.027 18.407 20.743  2.4215 19.531  4.0989  21.393  3.0012 300.695 32.716 316.419 22.544 -15.72427      39.73130 
1 1 1 3   7  14 o 408.739 22.536 35.604  3.8858 0.0000  0.0000  35.604  3.8858 ?       ?      408.739 22.536 0.000000       22.53556 
1 1 1 3   7  15 o 629.703 22.756 84.246  6.0685 76.511  8.5083  92.255  8.6579 597.965 33.737 657.999 31.070 -60.03424      45.86403 
1 1 1 3   7  16 o 606.164 22.724 78.083  5.8333 73.992  8.2011  82.271  8.2988 587.986 33.070 620.366 31.694 -32.38000      45.80526 
1 1 1 3   7  17 o 811.227 23.463 139.945 8.0605 0.0000  0.0000  139.945 8.0605 ?       ?      811.227 23.463 0.000000       23.46259 
1 1 1 3   7  18 o 929.262 19.730 183.473 7.7645 181.740 13.429  184.344 9.5163 921.660 34.406 930.676 24.145 -9.015442      42.03305 
1 1 1 3   7  19 o 493.197 18.908 51.682  3.9493 53.205  6.8130  50.911  4.8466 497.724 32.501 489.063 23.401 8.660858       40.04879 
1 1 1 3   7  20 o 353.780 19.337 26.681  2.8861 24.375  4.9321  27.881  3.5590 335.414 35.250 361.126 23.398 -25.71213      42.30813 
1 1 1 3   7  21 o 963.229 20.092 197.385 8.1960 190.387 14.128  200.935 10.062 941.351 35.440 970.750 24.476 -29.39960      43.07032 
1 1 1 3   7  22 o 622.299 19.205 82.451  5.0611 82.278  8.6870  82.541  6.2272 617.390 33.349 621.757 23.650 -4.366943      40.88345 
1 1 1 3   7  23 o 469.309 33.316 47.818  6.5785 47.818  6.5785  0.0000  0.0000 469.309 33.316 ?       ?      0.000000       33.31621 
1 1 1 3   7  24 f 283.833 25.517 17.431  3.0344 0.0000  0.0000  17.431  3.0344 ?       ?      283.833 25.517 0.000000       25.51678 
1 1 1 3   7  25 o 451.245 19.436 43.531  3.7141 47.804  6.5179  41.477  4.5198 467.571 33.131 438.609 24.430 28.96164       41.16410 
1 1 1 3   7  26 o 328.667 19.979 23.252  2.7676 19.720  4.8025  25.008  3.3865 295.638 39.335 339.799 23.681 -44.16080      45.91374 
1 1 1 3   7  27 o 193.010 24.611 8.1826  1.9659 8.6385  3.3125  7.9347  2.4426 192.664 41.801 187.824 31.846 4.840240       52.54956 
1 1 1 3   7  28 o 221.411 22.215 10.704  2.0549 8.9233  3.6443  11.534  2.4881 193.320 45.304 228.623 26.170 -35.30302      52.31969 
1 1 1 3   7  29 o 378.388 20.377 31.016  3.2533 28.366  5.6271  32.346  3.9873 351.949 38.376 384.477 24.618 -32.52786      45.59315 
1 1 1 3   8  0  o 307.429 17.551 20.139  2.2756 21.809  3.2013  18.433  3.2354 319.153 23.858 292.875 26.368 26.27808       35.55966 
1 1 1 3   8  1  o 660.967 19.128 92.841  5.3541 91.233  7.4854  94.526  7.6614 654.044 27.025 665.719 27.175 -11.67456      38.32539 
1 1 1 3   8  2  o 677.894 19.731 97.691  5.6643 98.096  7.9254  97.267  8.0986 678.021 27.602 675.013 28.331 3.007813       39.55328 
1 1 1 3   8  3  o 378.308 19.315 30.503  3.0841 29.775  4.2980  31.275  4.4279 372.518 27.438 381.815 27.570 -9.297089      38.89633 
1 1 1 3   8  4  o 460.314 19.988 45.067  3.8964 48.504  5.4580  41.496  5.5641 475.883 27.195 439.466 30.078 36.41754       40.54962 
1 1 1 3   8  5  o 983.509 22.686 206.101 9.4491 204.738 13.267  207.503 13.461 977.227 32.059 983.710 32.311 -6.482483      45.51691 
1 1 1 3   8  6  o 372.661 20.775 29.669  3.2657 30.709  4.5708  28.583  4.6676 377.650 28.797 363.876 30.573 13.77393       41.99945 
1 1 1 3   8  7  o 450.084 30.091 43.679  5.7026 43.679  5.7026  0.0000  0.0000 450.084 30.091 ?       ?      0.000000       30.09138 
1 1 1 3   8  8  o 123.210 28.615 3.3877  1.4645 3.4208  2.0538  3.3534  2.0889 124.534 36.551 123.629 37.008 0.9046860      52.01503 
1 1 1 3   8  9  o 432.929 31.390 40.568  5.7159 0.0000  0.0000  40.568  5.7159 ?       ?      432.929 31.390 0.000000       31.38977 
1 1 1 3   8  10 o 118.018 30.395 3.1043  1.5284 4.2272  2.1775  2.0140  2.1457 137.454 36.713 104.830 37.792 32.62355       52.68854 
1 1 1 3   8  11 o 789.127 22.987 132.747 7.6821 131.698 10.809  133.817 10.920 783.364 32.582 789.616 32.656 -6.252747      46.13045 
1 1 1 3   8  12 o 282.391 19.073 17.022  2.2676 13.854  3.8349  18.726  2.8118 251.501 37.122 295.787 22.619 -44.28616      43.46986 
1 1 1 3   8  13 o 247.220 23.966 13.119  2.4777 14.613  3.4936  11.608  3.5144 259.669 32.480 230.047 37.355 29.62181       49.50096 
1 1 1 3   8  14 o 378.295 18.548 30.372  2.9714 25.984  5.1169  32.605  3.6499 347.112 35.301 391.143 22.125 -44.03061      41.66111 
1 1 1 3   8  15 o 643.607 22.744 88.011  6.1992 80.748  8.7437  95.352  8.7905 614.319 33.738 668.932 31.031 -54.61316      45.83850 
1 1 1 3   8  16 o 954.287 24.075 193.622 9.7295 187.730 13.696  199.626 13.824 937.632 34.492 967.056 33.756 -29.42462      48.26098 
1 1 1 3   8  17 o 1158.31 20.646 285.059 10.128 257.727 17.418  299.021 12.448 1097.11 37.488 1185.44 24.796 -88.33154      44.94707 
1 1 1 3   8  18 o 945.589 19.760 189.992 7.9128 181.373 13.615  194.389 9.7238 920.492 34.925 955.671 24.026 -35.17969      42.39149 
1 1 1 3   8  19 o 232.704 21.196 11.610  2.0659 7.9285  3.4464  13.675  2.5811 188.067 44.046 252.238 24.471 -64.17116      50.38767 
1 1 1 3   8  20 o 942.427 19.895 188.828 7.9401 194.535 13.749  185.973 9.7259 952.847 34.073 934.280 24.582 18.56732       42.01429 
1 1 1 3   8  21 o 371.691 19.322 29.463  3.0309 28.006  5.1720  30.226  3.7405 359.555 34.386 375.829 23.622 -16.27411      41.71745 
1 1 1 3   8  22 o 434.616 19.231 40.225  3.5395 32.849  5.9648  44.234  4.3975 388.233 36.715 454.656 22.913 -66.42297      43.27800 
1 1 1 3   8  23 o 729.549 33.858 115.151 10.461 115.151 10.461  0.0000  0.0000 729.549 33.858 ?       ?      0.000000       33.85778 
1 1 1 3   8  24 o 735.991 24.029 116.155 7.4894 0.0000  0.0000  116.155 7.4894 ?       ?      735.991 24.029 0.000000       24.02880 
1 1 1 3   8  25 o 545.714 19.465 63.684  4.4984 44.002  7.6541  74.069  5.5600 444.484 41.128 587.616 22.343 -143.1321      46.80546 
1 1 1 3   8  26 o 344.583 20.346 25.573  2.9559 28.581  5.1873  24.127  3.5970 358.880 34.558 332.987 25.706 25.89349       43.07053 
1 1 1 3   8  27 o 207.408 23.715 9.4111  2.0456 14.087  3.7009  7.3544  2.4546 249.809 36.024 180.115 33.411 69.69333       49.13286 
1 1 1 3   8  28 o 273.429 21.464 16.251  2.4655 21.293  4.3492  13.863  2.9928 307.689 33.942 249.793 28.821 57.89606       44.52769 
1 1 1 3   8  29 o 147.462 35.589 5.0705  2.1971 5.8604  3.0268  4.1908  3.1943 156.517 43.890 136.075 46.320 20.44220       63.81107 
1 1 1 3   9  0  o 364.494 17.278 28.216  2.6670 30.945  3.7649  25.467  3.7787 380.519 23.478 344.661 26.081 35.85864       35.09190 
1 1 1 3   9  1  o 1140.44 21.749 276.733 10.504 277.929 14.745  275.500 14.968 1140.23 30.536 1135.02 31.139 5.207153       43.61311 
1 1 1 3   9  2  o 658.008 19.266 92.040  5.3686 93.939  7.5260  90.072  7.6605 663.554 26.782 649.556 27.848 13.99768       38.63695 
1 1 1 3   9  3  o 518.279 19.200 57.109  4.2142 54.233  5.8725  60.163  6.0511 503.223 27.662 530.229 27.038 -27.00616      38.68152 
1 1 1 3   9  4  o 399.971 19.460 34.025  3.2963 33.551  4.5805  34.534  4.7472 395.370 27.529 401.032 28.130 -5.661987      39.35921 
1 1 1 3   9  5  o 396.074 20.016 33.472  3.3464 34.373  4.6830  32.532  4.7836 399.988 27.819 388.773 29.270 11.21466       40.38111 
1 1 1 3   9  6  o 356.873 20.517 27.218  3.0877 24.801  4.2780  29.846  4.4611 338.757 30.134 372.227 28.517 -33.46939      41.48861 
1 1 1 3   9  7  o 454.337 29.641 44.518  5.6719 44.518  5.6719  0.0000  0.0000 454.337 29.641 ?       ?      0.000000       29.64078 
1 1 1 3   9  8  o 331.984 30.906 23.920  4.2952 0.0000  0.0000  23.920  4.2952 ?       ?      331.984 30.906 0.000000       30.90561 
1 1 1 3   9  9  o 477.175 21.474 48.593  4.3395 47.947  6.0967  49.256  6.1781 471.120 30.726 477.539 30.712 -6.419495      43.44326 
1 1 1 3   9  10 o 340.406 22.100 24.818  3.1686 25.187  4.4082  24.423  4.5578 341.132 30.847 335.476 32.488 5.656342       44.80017 
1 1 1 3   9  11 o 406.660 22.099 35.326  3.7915 33.409  5.2954  37.342  5.4312 393.523 32.053 416.414 31.021 -22.89166      44.60590 
1 1 1 3   9  12 o 1287.62 25.767 353.246 14.050 359.601 19.789  346.785 19.953 1295.32 36.074 1271.61 37.052 23.71228       51.71233 
1 1 1 3   9  13 o 727.397 32.046 112.901 9.8717 112.901 9.8717  0.0000  0.0000 727.397 32.046 ?       ?      0.000000       32.04619 
1 1 1 3   9  14 o 1276.07 21.051 345.816 11.376 336.968 19.608  350.306 13.967 1255.82 36.868 1283.40 25.698 -27.58093      44.94059 
1 1 1 3   9  15 o 531.387 31.668 60.402  7.0941 60.402  7.0941  0.0000  0.0000 531.387 31.668 ?       ?      0.000000       31.66803 
1 1 1 3   9  16 o 761.721 23.282 123.342 7.5102 0.0000  0.0000  123.342 7.5102 ?       ?      761.721 23.282 0.000000       23.28160 
1 1 1 3   9  17 o 721.013 18.884 110.399 5.7661 107.436 9.9661  111.891 7.0694 709.113 33.187 725.354 23.014 -16.24011      40.38568 
1 1 1 3   9  18 o 637.414 18.867 86.311  5.0929 90.525  8.8281  84.210  6.2350 650.804 32.031 629.056 23.405 21.74792       39.67082 
1 1 1 3   9  19 o 283.494 20.753 17.180  2.4742 20.399  4.3910  15.683  2.9949 306.747 34.394 269.943 26.541 36.80484       43.44402 
1 1 1 3   9  20 o 533.055 19.067 60.396  4.3042 55.240  7.4136  63.018  5.2864 506.418 34.779 544.040 22.945 -37.62134      41.66591 
1 1 1 3   9  21 o 710.143 23.641 107.533 7.1099 108.844 10.031  106.209 10.079 712.035 33.267 703.193 33.844 8.842163       47.45637 
1 1 1 3   9  22 o 360.638 19.830 27.795  3.0170 28.701  5.1498  27.322  3.7227 363.360 33.856 356.621 24.804 6.739227       41.96993 
1 1 1 3   9  23 o 360.312 24.146 27.922  3.6631 31.571  5.2287  24.405  5.1335 380.861 32.736 333.198 37.006 47.66293       49.40697 
1 1 1 3   9  24 o 182.037 29.037 7.3161  2.1633 0.0000  0.0000  7.3161  2.1633 ?       ?      182.037 29.037 0.000000       29.03702 
1 1 1 3   9  25 f 615.056 19.326 80.911  5.0337 78.657  8.6982  82.046  6.1723 599.057 34.431 617.843 23.590 -18.78601      41.73691 
1 1 1 3   9  26 o 202.585 23.807 8.9719  2.0036 11.248  3.5954  7.9467  2.4129 221.715 39.752 188.324 31.358 33.39143       50.63154 
1 1 1 3   9  27 o 475.643 19.459 48.591  3.9196 44.457  6.7380  50.705  4.8188 446.185 35.965 484.318 23.495 -38.13293      42.95862 
1 1 1 3   9  28 f 152.660 27.603 5.2482  1.7188 5.6514  3.1228  5.0730  2.0588 154.198 45.018 148.288 33.566 5.909714       56.15372 
1 1 1 3   9  29 o 236.641 41.088 13.123  3.9683 13.123  3.9683  0.0000  0.0000 236.641 41.088 ?       ?      0.000000       41.08786 
1 1 1 3   10 0  o 497.602 17.470 52.598  3.6815 51.508  5.1649  53.723  5.2490 490.989 24.921 502.098 24.686 -11.10849      35.07783 
1 1 1 3   10 1  o 839.027 19.520 149.670 6.9357 154.356 9.7562  144.882 9.8619 850.463 27.088 823.661 28.273 26.80157       39.15516 
1 1 1 3   10 2  o 637.050 18.873 86.271  5.0916 89.137  7.1333  83.296  7.2697 646.394 26.058 624.595 27.484 21.79926       37.87351 
1 1 1 3   10 3  o 538.913 18.948 61.752  4.3244 60.840  6.0512  62.704  6.1821 533.142 26.888 541.906 26.938 -8.764343      38.06083 
1 1 1 3   10 4  o 502.708 19.333 53.759  4.1158 57.365  5.7463  49.961  5.8979 517.629 26.300 482.391 29.005 35.23813       39.15366 
1 1 1 3   10 5  o 621.311 20.264 82.196  5.3319 77.199  7.3776  87.659  7.7145 600.381 29.017 639.901 28.468 -39.51953      40.64931 
1 1 1 3   10 6  o 178.710 30.068 7.0350  2.1948 7.0350  2.1948  0.0000  0.0000 178.710 30.068 ?       ?      0.000000       30.06797 
1 1 1 3   10 7  o 760.411 21.598 123.420 6.9550 123.822 9.7404  123.003 9.9343 758.718 30.315 755.922 31.032 2.795654       43.38191 
1 1 1 3   10 8  o 631.405 30.744 85.836  8.2207 0.0000  0.0000  85.836  8.2207 ?       ?      631.405 30.744 0.000000       30.74363 
1 1 1 3   10 9  o 317.747 21.754 21.646  2.9097 22.600  4.0847  20.662  4.1458 322.901 30.222 308.128 32.249 14.77286       44.19739 
1 1 1 3   10 10 o 161.436 26.874 5.7201  1.7727 7.1585  2.4639  4.1767  2.5524 179.633 33.625 137.730 40.835 41.90228       52.89780 
1 1 1 3   10 11 o 468.465 21.743 46.719  4.3136 50.930  6.0520  42.370  6.1499 487.173 29.473 443.415 32.987 43.75769       44.23538 
1 1 1 3   10 12 o 813.498 22.984 140.786 7.9181 145.836 11.109  135.572 11.288 826.207 31.751 796.208 33.478 29.99921       46.14025 
1 1 1 3   10 13 o 426.698 31.714 39.045  5.6898 39.045  5.6898  0.0000  0.0000 426.698 31.714 ?       ?      0.000000       31.71373 
1 1 1 3   10 14 o 536.737 22.406 61.205  5.0930 58.108  7.1228  64.444  7.2852 521.046 32.441 548.987 31.467 -27.94073      45.19467 
1 1 1 3   10 15 o 1148.94 35.369 281.898 17.209 281.898 17.209  0.0000  0.0000 1148.94 35.369 ?       ?      0.000000       35.36906 
1 1 1 3   10 16 o 1123.69 35.671 269.909 16.975 0.0000  0.0000  269.909 16.975 ?       ?      1123.69 35.671 0.000000       35.67061 
1 1 1 3   10 17 o 955.377 19.669 193.901 7.9578 210.825 13.764  185.403 9.7531 993.347 32.720 933.337 24.675 60.00952       40.98092 
1 1 1 3   10 18 o 640.806 18.774 87.236  5.0948 93.720  8.8697  84.043  6.2239 662.197 31.628 628.401 23.388 33.79620       39.33619 
1 1 1 3   10 19 o 522.579 18.854 58.030  4.1726 56.075  7.1306  59.048  5.1456 510.779 33.144 526.681 23.070 -15.90204      40.38216 
1 1 1 3   10 20 o 341.551 19.848 24.889  2.8585 19.809  4.8514  27.590  3.5377 301.040 38.969 359.165 23.386 -58.12491      45.44755 
1 1 1 3   10 21 o 288.414 20.775 17.803  2.5205 19.222  4.2966  17.059  3.1123 297.018 34.819 281.346 26.431 15.67273       43.71486 
1 1 1 3   10 22 o 662.696 33.535 94.961  9.3809 94.961  9.3809  0.0000  0.0000 662.696 33.535 ?       ?      0.000000       33.53517 
1 1 1 3   10 23 o 477.211 19.252 48.580  3.8907 49.698  6.7282  48.019  4.7688 478.024 33.447 472.922 23.888 5.102325       41.10142 
1 1 1 3   10 24 o 279.089 25.756 16.880  3.0098 0.0000  0.0000  16.880  3.0098 ?       ?      279.089 25.756 0.000000       25.75575 
1 1 1 3   10 25 o 429.402 19.588 39.465  3.5620 35.548  6.1082  41.484  4.3847 400.857 36.378 438.554 23.696 -37.69760      43.41525 
1 1 1 3   10 26 o 166.518 26.531 6.1528  1.8081 12.148  3.1740  3.2727  2.2000 233.057 33.089 121.438 38.290 111.6188       50.60600 
1 1 1 3   10 27 o 285.172 20.766 17.596  2.4906 24.432  4.4122  14.399  3.0173 331.897 31.780 255.387 28.378 76.51068       42.60580 
1 1 1 3   10 28 f 477.075 19.510 49.058  3.9418 56.771  6.8579  45.253  4.8169 504.686 32.255 454.955 25.098 49.73074       40.86974 
1 1 1 3   10 29 o 493.903 34.650 54.970  7.2016 54.970  7.2016  0.0000  0.0000 493.903 34.650 ?       ?      0.000000       34.64997 
1 1 1 3   11 0  o 238.871 17.131 12.183  1.7214 11.171  2.3991  13.257  2.4714 227.503 25.331 248.326 23.792 -20.82346      34.75240 
1 1 1 3   11 1  o 680.227 18.466 98.352  5.3196 99.918  7.5050  96.772  7.5412 684.355 25.896 673.388 26.444 10.96722       37.01189 
1 1 1 3   11 2  o 561.901 18.388 67.118  4.3755 71.535  6.1532  62.600  6.2233 579.119 25.089 540.722 27.265 38.39691       37.05191 
1 1 1 3   11 3  o 358.996 18.370 27.473  2.7835 31.113  3.9121  23.741  3.9614 381.175 24.362 332.018 28.448 49.15710       37.45414 
1 1 1 3   11 4  o 390.866 18.958 32.503  3.1381 29.212  4.3321  36.137  4.5518 368.497 27.969 410.418 26.328 -41.92108      38.41102 
1 1 1 3   11 5  o 286.349 19.685 17.541  2.3726 14.489  3.2128  21.202  3.5187 258.250 29.931 313.699 26.742 -55.44827      40.13720 
1 1 1 3   11 6  o 598.445 28.300 76.826  7.1722 76.826  7.1722  0.0000  0.0000 598.445 28.300 ?       ?      0.000000       28.29985 
1 1 1 3   11 7  o 532.644 29.805 61.194  6.6961 0.0000  0.0000  61.194  6.6961 ?       ?      532.644 29.805 0.000000       29.80495 
1 1 1 3   11 8  o 275.236 21.303 16.265  2.4637 16.757  3.4394  15.747  3.5309 277.622 29.715 268.556 31.654 9.066711       43.41634 
1 1 1 3   11 9  o 490.426 21.001 51.294  4.3618 49.239  6.1106  53.429  6.2281 477.731 30.361 497.919 29.671 -20.18784      42.45184 
1 1 1 3   11 10 o 515.550 21.274 56.625  4.6448 54.906  6.5202  58.396  6.6183 505.129 30.625 521.123 30.117 -15.99408      42.95282 
1 1 1 3   11 11 o 343.017 22.091 25.146  3.1920 25.367  4.4222  24.906  4.6122 343.057 30.766 339.558 32.469 3.498657       44.73046 
1 1 1 3   11 12 o 550.512 21.843 64.431  5.0923 60.987  7.1326  68.011  7.2728 533.498 31.712 563.705 30.580 -30.20715      44.05437 
1 1 1 3   11 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   11 14 o 1073.77 24.374 245.103 11.084 247.356 15.559  242.781 15.793 1076.66 34.125 1066.45 34.969 10.20837       48.86015 
1 1 1 3   11 15 o 809.069 32.557 139.635 11.155 139.635 11.155  0.0000  0.0000 809.069 32.557 ?       ?      0.000000       32.55676 
1 1 1 3   11 16 o 595.452 32.931 75.930  8.2719 0.0000  0.0000  75.930  8.2719 ?       ?      595.452 32.931 0.000000       32.93098 
1 1 1 3   11 17 o 890.713 19.410 168.544 7.3215 165.415 12.595  170.142 8.9979 879.477 33.817 894.193 23.761 -14.71655      41.33048 
1 1 1 3   11 18 o 814.128 19.187 140.841 6.6152 128.922 11.353  146.968 8.1398 775.865 34.552 830.986 23.130 -55.12122      41.57944 
1 1 1 3   11 19 o 323.650 20.385 22.361  2.7798 21.581  4.7896  22.757  3.4135 315.090 36.574 325.870 24.924 -10.78015      44.25912 
1 1 1 3   11 20 f 689.877 19.092 101.183 5.5778 99.856  9.5766  101.864 6.8619 682.586 33.129 691.491 23.432 -8.904785      40.57855 
1 1 1 3   11 21 o 395.665 19.108 33.315  3.2018 33.220  5.5080  33.363  3.9350 391.712 33.526 394.738 23.648 -3.026428      41.02734 
1 1 1 3   11 22 o 869.367 34.387 163.316 12.660 163.316 12.660  0.0000  0.0000 869.367 34.387 ?       ?      0.000000       34.38736 
1 1 1 3   11 23 o 274.577 25.698 16.318  2.9534 0.0000  0.0000  16.318  2.9534 ?       ?      274.577 25.698 0.000000       25.69798 
1 1 1 3   11 24 o 112.281 31.872 2.8056  1.5861 2.7561  2.4469  2.8415  2.0829 116.903 40.512 115.329 37.352 1.574059       55.10366 
1 1 1 3   11 25 o 275.604 21.108 16.386  2.4449 11.094  3.9729  19.612  3.1019 219.211 44.319 300.726 24.571 -81.51540      50.67488 
1 1 1 3   11 26 o 195.183 24.313 8.3549  1.9661 8.1953  3.3632  8.4378  2.4233 187.185 43.290 194.337 30.444 -7.152802      52.92289 
1 1 1 3   11 27 o 388.897 19.985 32.618  3.2803 29.809  5.6400  34.053  4.0325 363.729 37.136 395.737 24.178 -32.00842      44.31295 
1 1 1 3   11 28 o 95.588  29.616 2.0222  1.3225 0.6995  2.4800  2.5478  1.5634 92.188  38.376 106.325 32.058 -14.13673      50.00436 
1 1 1 3   11 29 o 250.387 37.177 14.435  3.8225 14.435  3.8225  0.0000  0.0000 250.387 37.177 ?       ?      0.000000       37.17731 
1 1 1 3   12 0  o 233.696 17.021 11.664  1.6730 11.438  2.3211  11.909  2.4135 230.404 24.147 235.065 24.609 -4.661514      34.47750 
1 1 1 3   12 1  o 139.560 19.065 4.2179  1.0973 4.8853  1.5338  3.5184  1.5704 149.334 25.147 125.746 29.924 23.58821       39.08727 
1 1 1 3   12 2  o 923.397 20.059 181.450 7.8439 189.852 11.068  172.972 11.118 942.402 27.734 899.069 29.200 43.33295       40.27130 
1 1 1 3   12 3  o 361.373 18.005 27.770  2.7555 27.633  3.8639  27.912  3.9308 358.818 25.596 360.569 25.915 -1.750763      36.42420 
1 1 1 3   12 4  o 344.014 18.727 25.258  2.7180 22.264  3.7284  28.654  3.9708 321.362 27.665 365.242 25.838 -43.88043      37.85480 
1 1 1 3   12 5  o 68.379  27.131 0.5350  1.1712 0.5350  1.1712  0.0000  0.0000 68.379  27.131 ?       ?      0.000000       27.13105 
1 1 1 3   12 6  o 373.014 19.892 29.749  3.1309 29.651  4.3164  29.858  4.5484 370.732 27.693 371.663 29.131 -0.9301453     40.19316 
1 1 1 3   12 7  o 336.341 29.524 24.507  4.1627 0.0000  0.0000  24.507  4.1627 ?       ?      336.341 29.524 0.000000       29.52353 
1 1 1 3   12 8  o 232.603 21.893 11.651  2.1312 11.518  2.9064  11.806  3.1344 229.426 30.682 231.801 32.849 -2.375061      44.94934 
1 1 1 3   12 9  o 374.762 20.935 30.032  3.3093 29.913  4.6052  30.158  4.7587 372.253 29.453 373.567 30.342 -1.314240      42.28605 
1 1 1 3   12 10 o 468.781 21.131 46.797  4.1950 48.653  5.8884  44.884  5.9780 475.859 29.363 456.577 31.103 19.28168       42.77320 
1 1 1 3   12 11 o 633.948 21.633 85.497  5.8079 81.540  8.1169  89.648  8.3139 616.794 31.176 647.706 30.310 -30.91156      43.48103 
1 1 1 3   12 12 f 614.711 21.855 80.319  5.6895 81.841  7.9942  78.757  8.0990 619.390 30.477 606.632 31.635 12.75763       43.92739 
1 1 1 3   12 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   12 14 o 780.819 32.048 129.996 10.597 129.996 10.597  0.0000  0.0000 780.819 32.048 ?       ?      0.000000       32.04832 
1 1 1 3   12 15 o 790.200 23.065 132.725 7.7185 121.380 10.745  144.820 11.094 754.046 33.649 824.002 31.793 -69.95569      46.29307 
1 1 1 3   12 16 o 1170.09 36.077 292.921 17.877 0.0000  0.0000  292.921 17.877 ?       ?      1170.09 36.077 0.000000       36.07681 
1 1 1 3   12 17 o 989.055 24.316 208.238 10.185 216.212 14.302  200.033 14.507 1005.40 33.591 966.503 35.444 38.89948       48.83265 
1 1 1 3   12 18 o 369.709 19.286 29.126  3.0091 25.254  5.0258  31.290  3.7570 341.519 35.257 382.697 23.292 -41.17728      42.25593 
1 1 1 3   12 19 o 605.515 19.012 77.926  4.8754 68.548  8.2146  83.025  6.0576 564.491 34.528 624.490 22.905 -59.99866      41.43503 
1 1 1 3   12 20 o 152.979 28.060 5.1541  1.7509 6.8768  2.9063  4.1727  2.1937 175.212 40.042 137.003 36.958 38.20856       54.49117 
1 1 1 3   12 21 o 347.595 20.277 25.822  2.9719 27.199  5.0329  25.084  3.6824 353.912 33.998 341.630 25.639 12.28159       42.58250 
1 1 1 3   12 22 o 956.940 34.779 198.138 14.094 198.138 14.094  0.0000  0.0000 956.940 34.779 ?       ?      0.000000       34.77879 
1 1 1 3   12 23 o 453.299 24.003 44.164  4.5914 0.0000  0.0000  44.164  4.5914 ?       ?      453.299 24.003 0.000000       24.00282 
1 1 1 3   12 24 o 1022.64 20.510 223.728 8.8825 233.533 15.294  218.738 10.911 1034.83 34.899 1008.33 25.552 26.50256       43.25381 
1 1 1 3   12 25 o 286.807 25.788 17.909  3.0987 16.469  4.2957  19.472  4.4743 270.399 38.609 295.251 36.566 -24.85202      53.17680 
1 1 1 3   12 26 o 124.847 30.739 3.5443  1.6144 4.9116  2.4706  2.5255  2.1326 145.733 39.184 110.165 37.842 35.56810       54.47340 
1 1 1 3   12 27 o 198.597 23.398 8.6504  1.9301 8.1184  3.2710  8.9345  2.3906 185.662 42.517 200.073 29.065 -14.41084      51.50264 
1 1 1 3   12 28 o 196.271 23.117 8.4774  1.8846 6.2853  3.1847  9.6588  2.3379 161.651 44.911 208.259 27.155 -46.60803      52.48233 
1 1 1 3   12 29 o 126.420 42.136 3.6020  2.6431 3.6020  2.6431  0.0000  0.0000 126.420 42.136 ?       ?      0.000000       42.13602 
1 1 1 3   13 0  o 171.499 17.590 6.3168  1.2595 4.0847  1.7319  8.8222  1.8349 135.441 30.881 202.375 21.751 -66.93477      37.77187 
1 1 1 3   13 1  o 419.730 17.229 37.446  3.0625 41.461  4.2995  33.310  4.3634 440.397 23.134 394.026 26.300 46.37140       35.02692 
1 1 1 3   13 2  o 241.077 17.696 12.424  1.7940 12.677  2.5410  12.171  2.5332 242.394 25.118 237.371 25.605 5.022919       35.86852 
1 1 1 3   13 3  o 213.508 18.872 9.7762  1.6888 9.0201  2.3092  10.645  2.4761 203.518 27.496 221.495 26.954 -17.97612      38.50361 
1 1 1 3   13 4  o 205.446 27.139 9.1899  2.3035 9.1899  2.3035  0.0000  0.0000 205.446 27.139 ?       ?      0.000000       27.13943 
1 1 1 3   13 5  o 295.339 27.236 18.856  3.3681 18.856  3.3681  0.0000  0.0000 295.339 27.236 ?       ?      0.000000       27.23568 
1 1 1 3   13 6  o 509.724 28.575 55.991  6.1434 0.0000  0.0000  55.991  6.1434 ?       ?      509.724 28.575 0.000000       28.57505 
1 1 1 3   13 7  o 611.812 20.310 79.860  5.2623 77.678  7.2779  82.252  7.6178 601.177 28.587 618.462 29.085 -17.28528      40.78156 
1 1 1 3   13 8  o 264.384 20.976 15.002  2.3293 14.874  3.2274  15.142  3.3651 261.499 29.668 263.624 30.717 -2.125824      42.70556 
1 1 1 3   13 9  o 320.442 20.745 21.968  2.8001 19.371  3.8573  24.861  4.0712 298.869 30.924 339.487 28.584 -40.61710      42.11061 
1 1 1 3   13 10 o 849.092 22.022 153.527 7.9187 149.278 11.008  158.083 11.400 834.909 31.133 859.119 31.333 -24.20990      44.17041 
1 1 1 3   13 11 o 663.106 21.575 93.511  6.0585 94.913  8.4699  92.042  8.6697 666.715 29.998 656.332 31.192 10.38306       43.27597 
1 1 1 3   13 12 o 450.857 21.561 43.196  4.1167 38.312  5.6706  48.638  5.9859 422.535 31.926 476.731 29.799 -54.19659      43.67141 
1 1 1 3   13 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   13 14 o 283.635 32.733 17.384  3.8596 17.384  3.8596  0.0000  0.0000 283.635 32.733 ?       ?      0.000000       32.73336 
1 1 1 3   13 15 o 859.837 33.236 157.835 12.102 0.0000  0.0000  157.835 12.102 ?       ?      859.837 33.236 0.000000       33.23634 
1 1 1 3   13 16 o 819.343 23.265 142.791 8.0727 136.959 11.245  148.993 11.597 800.582 33.166 835.101 32.790 -34.51917      46.63926 
1 1 1 3   13 17 o 404.646 23.103 34.955  3.9426 34.643  5.5183  35.280  5.6350 401.190 32.766 404.804 33.161 -3.614014      46.61823 
1 1 1 3   13 18 o 802.808 23.508 137.230 7.9922 140.274 11.178  134.046 11.432 809.597 32.601 791.017 34.127 18.57996       47.19616 
1 1 1 3   13 19 o 491.947 18.764 51.436  3.9092 50.072  6.6689  52.149  4.8251 482.465 32.835 494.884 23.023 -12.41861      40.10225 
1 1 1 3   13 20 o 128.568 30.696 3.6804  1.6482 4.4729  2.6465  3.1782  2.1067 142.397 41.405 121.436 37.338 20.96078       55.75392 
1 1 1 3   13 21 o 906.144 19.739 174.901 7.5749 170.318 13.023  177.245 9.3123 888.747 34.600 910.856 24.142 -22.10858      42.19000 
1 1 1 3   13 22 o 477.543 23.219 48.781  4.6957 44.824  6.5451  52.978  6.7407 453.859 34.306 494.319 32.379 -40.46039      47.17292 
1 1 1 3   13 23 o 405.079 25.103 35.359  4.2851 0.0000  0.0000  35.359  4.2851 ?       ?      405.079 25.103 0.000000       25.10300 
1 1 1 3   13 24 o 597.870 19.188 76.402  4.8583 76.429  8.3036  76.387  5.9907 591.603 33.278 596.344 23.721 -4.741821      40.86716 
1 1 1 3   13 25 o 430.389 19.528 39.709  3.5592 36.737  5.9500  41.365  4.4415 407.259 34.834 437.259 24.078 -29.99976      42.34564 
1 1 1 3   13 26 o 134.009 30.345 4.0796  1.6821 2.6185  2.5856  5.1518  2.2149 115.079 41.485 149.679 35.483 -34.59970      54.59036 
1 1 1 3   13 27 o 313.607 20.869 21.307  2.7558 22.648  4.6757  20.593  3.4112 316.869 35.451 306.149 26.574 10.72006       44.30547 
1 1 1 3   13 28 o 354.242 24.473 27.491  3.6489 25.814  5.1602  29.169  5.1603 336.249 36.841 359.280 34.333 -23.03052      50.35931 
1 1 1 3   14 0  o 278.358 13.226 16.446  1.5591 18.911  2.6620  15.158  1.9236 297.191 21.292 266.483 17.136 30.70840       27.33132 
1 1 1 3   14 1  o 256.333 17.422 14.036  1.8800 13.186  2.5626  15.026  2.7666 247.284 24.805 264.079 25.038 -16.79503      35.24461 
1 1 1 3   14 2  o 153.587 19.915 5.1064  1.2648 5.5595  1.7069  4.5547  1.8836 159.206 26.230 142.859 31.936 16.34683       41.32689 
1 1 1 3   14 3  o 484.955 25.569 50.439  5.2327 50.439  5.2327  0.0000  0.0000 484.955 25.569 ?       ?      0.000000       25.56905 
1 1 1 3   14 4  o 223.029 27.808 10.828  2.5694 10.828  2.5694  0.0000  0.0000 223.029 27.808 ?       ?      0.000000       27.80753 
1 1 1 3   14 5  f 809.816 29.041 140.980 9.9596 0.0000  0.0000  140.980 9.9596 ?       ?      809.816 29.041 0.000000       29.04087 
1 1 1 3   14 6  o 278.928 29.104 16.905  3.3872 0.0000  0.0000  16.905  3.3872 ?       ?      278.928 29.104 0.000000       29.10396 
1 1 1 3   14 7  o 637.071 20.165 86.561  5.4404 87.645  7.5701  85.403  7.8238 638.927 27.977 630.279 29.312 8.648132       40.52051 
1 1 1 3   14 8  o 269.796 21.277 15.620  2.4113 13.431  3.3456  17.986  3.4785 247.695 32.694 288.129 28.897 -40.43379      43.63372 
1 1 1 3   14 9  o 1195.28 23.818 304.840 12.056 310.750 16.793  298.553 17.320 1202.61 32.973 1177.84 34.723 24.76794       47.88446 
1 1 1 3   14 10 o 783.016 21.574 130.477 7.1539 138.706 9.9461  121.656 10.297 805.668 29.151 753.757 32.259 51.91119       43.47879 
1 1 1 3   14 11 o 400.279 21.114 34.152  3.5665 37.933  4.9818  30.177  5.1083 420.884 28.112 374.414 32.540 46.47070       43.00140 
1 1 1 3   14 12 o 681.671 21.692 98.736  6.2622 103.792 8.7254  93.364  8.9929 697.875 29.523 661.504 32.101 36.37170       43.61319 
1 1 1 3   14 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   14 14 o 179.308 36.275 7.1146  2.6600 7.1146  2.6600  0.0000  0.0000 179.308 36.275 ?       ?      0.000000       36.27527 
1 1 1 3   14 15 o 483.353 31.855 50.070  6.4840 0.0000  0.0000  50.070  6.4840 ?       ?      483.353 31.855 0.000000       31.85498 
1 1 1 3   14 16 o 407.392 32.494 35.684  5.5594 0.0000  0.0000  35.684  5.5594 ?       ?      407.392 32.494 0.000000       32.49376 
1 1 1 3   14 17 o 837.628 23.407 149.347 8.3032 163.527 11.658  134.749 11.829 874.640 31.474 793.015 35.223 81.62494       47.23600 
1 1 1 3   14 18 o 630.430 22.879 84.610  6.1083 85.955  8.5134  83.184  8.7692 633.055 31.857 622.344 33.395 10.71033       46.15295 
1 1 1 3   14 19 o 673.092 23.139 96.492  6.5957 90.346  9.1472  103.148 9.5194 648.432 33.424 693.992 32.390 -45.55975      46.54359 
1 1 1 3   14 20 o 460.812 23.392 45.393  4.5499 38.344  6.2762  53.200  6.6056 420.723 35.559 497.126 31.540 -76.40344      47.53065 
1 1 1 3   14 21 o 958.914 24.419 196.589 9.9162 175.768 13.779  218.955 14.282 901.609 36.088 1007.76 33.464 -106.1505      49.21542 
1 1 1 3   14 22 f 383.695 19.587 31.491  3.1721 34.276  5.3384  29.970  3.9439 397.111 32.015 373.081 25.108 24.02985       40.68660 
1 1 1 3   14 23 o 607.180 23.844 79.081  6.1311 0.0000  0.0000  79.081  6.1311 ?       ?      607.180 23.844 0.000000       23.84377 
1 1 1 3   14 24 o 248.718 22.102 13.371  2.3037 16.421  3.7457  11.515  2.9216 272.671 33.117 228.346 31.015 44.32451       45.37292 
1 1 1 3   14 25 o 495.691 19.346 52.691  4.0611 62.603  6.9591  47.573  5.0009 534.320 30.886 468.272 25.312 66.04904       39.93300 
1 1 1 3   14 26 o 349.229 20.214 26.311  2.9768 27.962  5.0508  25.432  3.6848 354.198 34.093 341.400 25.674 12.79779       42.67914 
1 1 1 3   14 27 o 165.876 26.242 6.1400  1.7821 3.0219  2.8674  8.1024  2.2748 121.227 43.689 190.031 29.201 -68.80371      52.54948 
1 1 1 3   14 28 o 180.245 31.401 7.4042  2.3098 7.2756  3.2229  7.5399  3.3119 173.779 43.806 176.729 44.328 -2.950226      62.32164 
1 1 1 3   15 0  o 321.715 13.173 21.972  1.7947 23.075  3.0018  21.358  2.2389 328.266 21.716 316.500 16.764 11.76645       27.43341 
1 1 1 3   15 1  o 313.935 16.998 21.021  2.2514 20.843  3.1099  21.217  3.2636 311.522 23.752 314.136 24.732 -2.613953      34.29049 
1 1 1 3   15 2  o 683.206 25.787 99.889  7.4609 99.889  7.4609  0.0000  0.0000 683.206 25.787 ?       ?      0.000000       25.78666 
1 1 1 3   15 3  o 306.948 25.400 20.304  3.2721 20.304  3.2721  0.0000  0.0000 306.948 25.400 ?       ?      0.000000       25.40034 
1 1 1 3   15 4  o 438.138 26.339 41.305  4.8644 0.0000  0.0000  41.305  4.8644 ?       ?      438.138 26.339 0.000000       26.33896 
1 1 1 3   15 5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   15 6  o 532.466 19.142 60.442  4.3163 57.332  5.9674  63.855  6.2509 516.065 27.403 545.457 27.060 -29.39227      38.51209 
1 1 1 3   15 7  o 473.178 19.524 47.720  3.9124 49.381  5.4604  45.968  5.6084 479.187 27.018 461.782 28.823 17.40509       39.50598 
1 1 1 3   15 8  o 552.323 20.120 64.985  4.7062 58.224  6.4911  72.478  6.8333 520.183 29.588 581.724 27.738 -61.54016      40.55663 
1 1 1 3   15 9  o 379.345 20.581 30.719  3.2940 28.122  4.5255  33.645  4.8038 361.257 29.848 395.562 28.876 -34.30560      41.52978 
1 1 1 3   15 10 o 387.580 20.648 32.033  3.3770 35.543  4.6939  28.266  4.8620 407.288 27.373 362.147 32.032 45.14175       42.13473 
1 1 1 3   15 11 o 265.063 21.766 15.034  2.4217 17.568  3.3469  12.250  3.5085 285.777 28.015 236.633 36.158 49.14417       45.74128 
1 1 1 3   15 12 o 222.085 22.925 10.594  2.1251 11.715  2.9258  9.3418  3.0916 232.494 30.448 206.025 36.784 26.46931       47.75043 
1 1 1 3   15 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   15 14 o 709.344 31.840 107.340 9.5647 0.0000  0.0000  107.340 9.5647 ?       ?      709.344 31.840 0.000000       31.83978 
1 1 1 3   15 15 o 952.145 33.637 193.724 13.563 0.0000  0.0000  193.724 13.563 ?       ?      952.145 33.637 0.000000       33.63712 
1 1 1 3   15 16 o 901.335 23.302 172.873 8.8945 173.859 12.363  171.814 12.806 901.846 32.370 896.157 33.744 5.688354       46.75962 
1 1 1 3   15 17 o 478.647 22.281 48.751  4.5165 45.751  6.2625  52.002  6.5198 461.356 32.256 492.182 31.444 -30.82599      45.04646 
1 1 1 3   15 18 o 260.600 25.109 14.607  2.7368 14.538  3.7178  14.688  4.0435 258.125 34.906 258.791 38.029 -0.6660461     51.62030 
1 1 1 3   15 19 o 960.492 24.116 196.632 9.8094 197.383 13.688  195.839 14.064 959.338 33.693 955.186 34.769 4.151978       48.41554 
1 1 1 3   15 20 o 533.171 32.344 61.269  7.2686 61.269  7.2686  0.0000  0.0000 533.171 32.344 ?       ?      0.000000       32.34417 
1 1 1 3   15 21 o 641.606 32.544 88.977  8.8138 88.977  8.8138  0.0000  0.0000 641.606 32.544 ?       ?      0.000000       32.54447 
1 1 1 3   15 22 o 372.974 19.692 29.774  3.0994 30.219  5.1737  29.524  3.8709 372.173 33.174 370.242 24.831 1.930664       41.43763 
1 1 1 3   15 23 o 484.421 24.045 50.371  4.9327 0.0000  0.0000  50.371  4.9327 ?       ?      484.421 24.045 0.000000       24.04456 
1 1 1 3   15 24 o 443.989 19.455 42.188  3.6580 40.329  6.2026  43.180  4.5296 428.006 34.513 447.331 23.998 -19.32492      42.03647 
1 1 1 3   15 25 o 533.649 19.212 61.095  4.3417 53.013  7.2554  65.603  5.4191 488.521 35.308 551.345 23.209 -62.82385      42.25290 
1 1 1 3   15 26 f 256.920 21.396 14.322  2.3068 20.101  3.8656  11.126  2.8748 301.156 30.741 223.042 31.296 78.11420       43.86850 
1 1 1 3   15 27 o 265.091 21.291 15.291  2.3701 16.404  3.8805  14.629  2.9933 268.827 34.910 256.770 27.980 12.05688       44.73868 
1 1 1 3   15 28 o 311.412 35.467 22.106  4.5939 22.106  4.5939  0.0000  0.0000 311.412 35.467 ?       ?      0.000000       35.46655 
1 1 1 3   16 0  o 157.810 19.312 5.3833  1.2637 5.0499  1.6119  5.9152  2.0358 151.515 26.060 163.355 30.551 -11.84024      40.15607 
1 1 1 3   16 1  o 276.838 17.479 16.376  2.0387 14.576  2.8065  18.386  2.9663 259.665 25.866 292.254 24.184 -32.58911      35.41067 
1 1 1 3   16 2  o 453.607 17.488 43.806  3.3595 41.856  4.6590  45.918  4.8488 441.462 25.023 462.492 24.847 -21.03040      35.26404 
1 1 1 3   16 3  f 363.295 25.809 28.429  3.9450 0.0000  0.0000  28.429  3.9450 ?       ?      363.295 25.809 0.000000       25.80925 
1 1 1 3   16 4  o 357.550 26.159 27.560  3.9335 0.0000  0.0000  27.560  3.9335 ?       ?      357.550 26.159 0.000000       26.15892 
1 1 1 3   16 5  o 382.547 18.648 31.193  3.0210 33.072  4.2250  29.228  4.3213 391.952 25.594 367.778 27.954 24.17404       37.90124 
1 1 1 3   16 6  o 691.471 19.645 101.940 5.7527 99.991  8.0017  104.026 8.2764 682.526 27.684 696.026 28.079 -13.50031      39.43069 
1 1 1 3   16 7  o 496.596 19.323 52.533  4.0637 54.650  5.6658  50.289  5.8316 504.475 26.614 483.340 28.617 21.13504       39.08030 
1 1 1 3   16 8  o 846.073 20.986 152.498 7.5193 153.228 10.455  151.716 10.822 845.708 29.192 841.118 30.382 4.590027       42.13346 
1 1 1 3   16 9  o 432.672 20.336 39.824  3.7263 37.875  5.1486  41.967  5.3999 419.957 29.130 442.189 28.996 -22.23172      41.10151 
1 1 1 3   16 10 o 786.677 21.282 131.586 7.0900 136.410 9.8302  126.357 10.236 799.540 29.032 769.006 31.430 30.53400       42.78655 
1 1 1 3   16 11 o 836.920 21.733 148.861 7.7028 149.673 10.678  147.980 11.122 837.787 30.097 832.750 31.537 5.036621       43.59399 
1 1 1 3   16 12 o 300.224 30.589 19.408  3.8348 19.408  3.8348  0.0000  0.0000 300.224 30.589 ?       ?      0.000000       30.58881 
1 1 1 3   16 13 o 905.665 31.194 174.894 11.964 174.894 11.964  0.0000  0.0000 905.665 31.194 ?       ?      0.000000       31.19372 
1 1 1 3   16 14 o 821.368 32.266 143.996 11.223 0.0000  0.0000  143.996 11.223 ?       ?      821.368 32.266 0.000000       32.26586 
1 1 1 3   16 15 o 961.662 23.253 196.722 9.4698 202.033 13.169  191.037 13.627 972.572 31.974 945.190 34.044 27.38239       46.70486 
1 1 1 3   16 16 f 746.875 22.537 118.685 7.1283 127.016 9.9432  109.875 10.225 771.122 30.448 716.505 33.696 54.61652       45.41504 
1 1 1 3   16 17 o 262.213 24.036 14.766  2.6394 17.979  3.6657  11.307  3.8034 288.455 30.469 225.742 41.306 62.71327       51.32833 
1 1 1 3   16 18 o 353.144 23.601 26.682  3.5092 24.741  4.7890  28.933  5.1570 338.104 33.903 365.931 33.655 -27.82736      47.77097 
1 1 1 3   16 19 o 597.008 22.824 75.938  5.7706 66.538  7.8759  86.832  8.4791 555.867 33.615 636.638 31.450 -80.77112      46.03316 
1 1 1 3   16 20 o 308.838 24.062 20.488  3.1223 17.744  4.2899  23.580  4.5530 284.534 36.439 329.496 33.075 -44.96158      49.21148 
1 1 1 3   16 21 o 393.957 33.011 33.739  5.4567 33.739  5.4567  0.0000  0.0000 393.957 33.011 ?       ?      0.000000       33.01137 
1 1 1 3   16 22 o 492.888 34.557 53.016  7.1676 0.0000  0.0000  53.016  7.1676 ?       ?      492.888 34.557 0.000000       34.55710 
1 1 1 3   16 23 o 590.902 19.181 74.608  4.7998 79.343  8.1767  72.119  5.9287 603.686 32.099 579.427 24.161 24.25867       40.17567 
1 1 1 3   16 24 o 699.096 19.341 104.661 5.7261 108.434 9.7175  102.654 7.0872 704.368 32.577 690.152 24.249 14.21600       40.61114 
1 1 1 3   16 25 o 406.543 19.700 35.502  3.3918 34.369  5.6005  36.158  4.2623 393.259 33.961 407.897 24.792 -14.63806      42.04785 
1 1 1 3   16 26 o 332.411 20.467 23.884  2.8671 21.634  4.7811  25.148  3.5829 309.111 37.275 339.407 25.105 -30.29593      44.94085 
1 1 1 3   16 27 o 191.363 24.587 8.1041  1.9465 8.0016  3.1035  8.1706  2.4991 183.804 40.922 189.337 32.329 -5.533020      52.15125 
1 1 1 3   16 28 o 465.356 33.796 48.843  6.6150 48.843  6.6150  0.0000  0.0000 465.356 33.796 ?       ?      0.000000       33.79649 
1 1 1 3   17 0  o 257.947 23.103 14.337  2.4969 14.337  2.4969  0.0000  0.0000 257.947 23.103 ?       ?      0.000000       23.10250 
1 1 1 3   17 1  o 444.732 24.727 42.488  4.6387 0.0000  0.0000  42.488  4.6387 ?       ?      444.732 24.727 0.000000       24.72737 
1 1 1 3   17 2  o 387.146 17.811 31.928  2.9202 0.0000  0.0000  31.928  2.9202 ?       ?      387.146 17.811 0.000000       17.81131 
1 1 1 3   17 3  o 229.253 26.593 11.424  2.5339 0.0000  0.0000  11.424  2.5339 ?       ?      229.253 26.593 0.000000       26.59306 
1 1 1 3   17 4  o 461.452 18.078 45.376  3.5327 45.488  4.9553  45.259  5.0378 459.896 25.544 458.592 26.047 1.304199       36.48202 
1 1 1 3   17 5  o 184.503 21.536 7.3656  1.6510 7.0959  2.3220  7.6415  2.3480 178.867 31.821 185.995 30.893 -7.128082      44.35043 
1 1 1 3   17 6  o 421.666 18.827 37.877  3.3620 35.234  4.6786  40.700  4.8345 404.414 27.481 435.069 26.363 -30.65512      38.08173 
1 1 1 3   17 7  o 868.726 20.638 160.809 7.5925 163.580 10.600  157.890 10.880 873.643 28.651 857.837 29.949 15.80627       41.44656 
1 1 1 3   17 8  o 762.191 20.382 123.645 6.5791 132.644 9.1578  114.047 9.4579 787.797 27.449 729.665 30.607 58.13300       41.11307 
1 1 1 3   17 9  o 316.592 20.764 21.407  2.7685 23.105  3.8435  19.577  3.9912 327.856 27.949 300.883 31.805 26.97266       42.34048 
1 1 1 3   17 10 o 1212.13 23.634 312.592 12.132 311.296 16.866  313.982 17.464 1206.90 32.998 1211.74 34.032 -4.840698      47.40358 
1 1 1 3   17 11 o 872.833 21.888 161.893 8.0907 163.699 11.215  159.934 11.683 876.270 30.221 865.805 31.865 10.46521       43.91672 
1 1 1 3   17 12 o 467.777 28.658 46.776  5.6497 46.776  5.6497  0.0000  0.0000 467.777 28.658 ?       ?      0.000000       28.65775 
1 1 1 3   17 13 o 148.587 40.804 4.8807  2.6460 0.0000  0.0000  4.8807  2.6460 ?       ?      148.587 40.804 0.000000       40.80365 
1 1 1 3   17 14 o 1122.88 34.538 269.546 16.424 0.0000  0.0000  269.546 16.424 ?       ?      1122.88 34.538 0.000000       34.53787 
1 1 1 3   17 15 o 531.305 29.816 60.434  6.6816 60.434  6.6816  0.0000  0.0000 531.305 29.816 ?       ?      0.000000       29.81605 
1 1 1 3   17 16 o 527.633 21.798 59.226  4.8708 59.686  6.6652  58.700  7.1356 527.756 29.945 522.836 32.386 4.919983       44.10889 
1 1 1 3   17 17 o 598.253 22.185 76.182  5.6207 79.385  7.7309  72.589  8.1863 609.399 29.956 581.140 33.404 28.25995       44.86840 
1 1 1 3   17 18 o 627.052 22.318 83.719  5.9265 84.615  8.1906  82.733  8.5861 628.845 30.756 620.539 32.789 8.306213       44.95614 
1 1 1 3   17 19 o 453.242 22.946 43.898  4.3899 42.817  5.9878  45.155  6.4552 445.709 31.934 457.367 33.562 -11.65750      46.32694 
1 1 1 3   17 20 o 129.542 33.104 3.7518  1.8229 5.5897  2.5072  1.6910  2.6549 157.609 38.006 107.193 41.338 50.41670       56.15370 
1 1 1 3   17 21 o 646.748 31.843 90.318  8.7215 90.318  8.7215  0.0000  0.0000 646.748 31.843 ?       ?      0.000000       31.84282 
1 1 1 3   17 22 o 508.945 33.699 56.493  7.2222 0.0000  0.0000  56.493  7.2222 ?       ?      508.945 33.699 0.000000       33.69912 
1 1 1 3   17 23 o 250.007 26.448 13.617  2.7577 14.884  3.6764  11.986  4.1700 259.139 34.347 228.620 44.672 30.51936       56.34985 
1 1 1 3   17 24 o 140.728 28.515 4.4492  1.6412 3.8589  2.7454  4.7774  2.0473 132.218 42.889 144.765 33.978 -12.54694      54.71730 
1 1 1 3   17 25 o 182.195 24.392 7.3070  1.8348 10.759  2.9258  5.0696  2.3555 218.925 32.548 148.005 37.528 70.91969       49.67610 
1 1 1 3   17 26 o 368.036 20.005 29.257  3.1062 29.569  5.0884  29.072  3.9217 363.734 33.407 364.617 25.559 -0.8833313     42.06268 
1 1 1 3   17 27 o 175.305 32.195 7.0369  2.3021 4.9779  3.1653  9.3490  3.3542 145.010 45.950 198.594 41.231 -53.58389      61.73623 
1 1 1 3   17 28 o 112.139 36.146 2.8232  1.9523 -1.7115 2.5569  9.1628  3.0233 74.679  34.498 198.056 37.416 -123.3774      50.89276 
1 1 1 3   18 0  o 371.763 23.795 29.703  3.7266 0.0000  0.0000  29.703  3.7266 ?       ?      371.763 23.795 0.000000       23.79510 
1 1 1 3   18 1  o 354.678 17.065 26.788  2.5631 0.0000  0.0000  26.788  2.5631 ?       ?      354.678 17.065 0.000000       17.06458 
1 1 1 3   18 2  o 293.629 14.845 18.382  1.8400 15.511  3.0604  20.007  2.3027 267.347 27.419 305.914 17.852 -38.56662      32.71805 
1 1 1 3   18 3  o 220.157 18.718 10.407  1.7286 11.427  2.3804  9.2684  2.5144 229.618 24.877 205.423 29.771 24.19511       38.79659 
1 1 1 3   18 4  o 211.051 19.872 9.5834  1.7552 10.628  2.4525  8.4864  2.5131 221.021 26.746 196.106 31.314 24.91483       41.18114 
1 1 1 3   18 5  o 307.823 18.845 20.264  2.4448 19.402  3.4179  21.167  3.4983 299.563 27.239 313.125 26.634 -13.56149      38.09692 
1 1 1 3   18 6  o 820.302 19.981 143.368 6.9414 146.994 9.7299  139.609 9.9055 828.244 27.740 806.727 28.994 21.51624       40.12685 
1 1 1 3   18 7  o 412.990 19.321 36.297  3.3792 36.955  4.6996  35.592  4.8624 414.906 26.892 406.825 28.401 8.080902       39.11246 
1 1 1 3   18 8  o 821.304 20.469 143.501 7.1193 144.521 9.9216  142.417 10.222 822.423 28.487 816.128 29.574 6.295410       41.06251 
1 1 1 3   18 9  o 607.184 19.893 78.353  5.1153 76.317  7.0187  80.660  7.4705 598.207 27.705 614.835 28.691 -16.62793      39.88450 
1 1 1 3   18 10 o 512.256 20.200 55.746  4.3821 56.489  6.0458  54.923  6.3605 514.159 27.870 506.631 29.776 7.527405       40.78432 
1 1 1 3   18 11 o 1528.86 36.520 499.808 23.645 499.808 23.645  0.0000  0.0000 1528.86 36.520 ?       ?      0.000000       36.52045 
1 1 1 3   18 12 o 247.649 32.258 13.301  3.3029 13.301  3.3029  0.0000  0.0000 247.649 32.258 ?       ?      0.000000       32.25842 
1 1 1 3   18 13 o 1032.81 33.384 227.827 14.601 0.0000  0.0000  227.827 14.601 ?       ?      1032.81 33.384 0.000000       33.38351 
1 1 1 3   18 14 o 373.500 21.668 29.755  3.4125 30.992  4.6660  28.333  5.0038 380.107 29.210 362.674 32.938 17.43246       44.02411 
1 1 1 3   18 15 o 152.844 29.675 5.1555  1.8516 3.7772  2.5337  6.7352  2.7124 132.613 40.976 173.881 37.905 -41.26810      55.81941 
1 1 1 3   18 16 o 1008.11 23.371 216.404 9.9777 214.072 13.779  218.976 14.468 1000.03 32.535 1010.99 33.791 -10.96082      46.90821 
1 1 1 3   18 17 o 1353.81 25.784 390.905 14.783 396.892 20.531  384.460 21.301 1359.68 35.656 1337.18 37.616 22.49707       51.82975 
1 1 1 3   18 18 o 1330.02 25.783 377.453 14.522 375.471 20.151  379.596 20.947 1321.72 36.000 1328.28 37.238 -6.553223      51.79472 
1 1 1 3   18 19 o 227.837 26.976 11.251  2.5523 7.9237  3.4822  15.113  3.7518 187.293 44.552 262.887 34.535 -75.59445      56.36946 
1 1 1 3   18 20 o 247.933 35.253 13.539  3.5972 13.539  3.5972  0.0000  0.0000 247.933 35.253 ?       ?      0.000000       35.25286 
1 1 1 3   18 21 o 576.856 22.804 71.220  5.5709 66.920  7.6056  76.198  8.1831 555.248 32.486 592.495 32.740 -37.24744      46.12203 
1 1 1 3   18 22 o 598.533 34.032 78.184  8.5905 0.0000  0.0000  78.184  8.5905 ?       ?      598.533 34.032 0.000000       34.03180 
1 1 1 3   18 23 o 397.575 23.791 34.108  3.9872 33.372  5.5147  34.915  5.7716 389.587 33.759 398.198 34.569 -8.610748      48.31866 
1 1 1 3   18 24 o 324.235 24.664 22.854  3.3613 25.536  4.6871  20.014  4.8229 339.473 33.021 297.435 39.247 42.03833       51.29057 
1 1 1 3   18 25 o 317.754 20.185 21.807  2.7021 23.116  4.4774  21.058  3.3888 321.914 33.325 310.214 26.036 11.70062       42.29012 
1 1 1 3   18 26 o 267.878 21.686 15.616  2.4390 10.701  3.8928  18.792  3.1294 212.031 44.758 292.570 25.512 -80.53928      51.51855 
1 1 1 3   18 27 o 156.001 32.424 5.6165  2.0722 7.1565  2.7591  3.6242  3.1383 174.170 38.437 128.819 45.783 45.35106       59.77827 
1 1 1 3   19 0  o 415.802 12.995 36.734  2.2882 34.329  3.7890  38.114  2.8709 400.003 22.458 423.168 16.020 -23.16528      27.58637 
1 1 1 3   19 1  o 373.597 13.830 29.668  2.1882 28.686  3.6529  30.217  2.7327 365.258 23.744 376.654 17.132 -11.39621      29.27953 
1 1 1 3   19 2  o 790.613 15.000 132.936 5.0222 137.843 8.5208  130.325 6.2169 801.924 25.090 781.840 18.776 20.08423       31.33784 
1 1 1 3   19 3  f 252.270 15.655 13.589  1.6642 15.258  2.8242  12.701  2.0598 265.665 25.413 243.165 20.185 22.49927       32.45399 
1 1 1 3   19 4  o 203.232 19.933 8.8905  1.6935 8.5980  2.3226  9.2226  2.4746 198.139 28.500 205.156 29.316 -7.016937      40.88585 
1 1 1 3   19 5  o 689.022 18.893 101.101 5.5128 99.935  7.7197  102.315 7.8750 683.108 26.685 691.130 26.906 -8.021790      37.89491 
1 1 1 3   19 6  o 401.567 18.586 34.313  3.1608 36.849  4.4702  31.777  4.4698 414.471 25.593 384.348 27.646 30.12256       37.67367 
1 1 1 3   19 7  o 306.696 19.572 20.089  2.5288 20.154  3.5130  20.019  3.6431 305.949 27.404 304.693 28.567 1.255707       39.58598 
1 1 1 3   19 8  o 801.084 20.308 136.451 6.8896 134.625 9.5778  138.409 9.9177 794.115 28.480 805.055 29.090 -10.93994      40.71035 
1 1 1 3   19 9  o 535.347 19.612 60.887  4.4462 59.734  6.1514  62.149  6.4339 528.692 27.570 539.179 28.276 -10.48700      39.49215 
1 1 1 3   19 10 o 958.799 21.605 195.355 8.7727 194.914 12.132  195.838 12.700 956.139 29.962 958.103 31.301 -1.964111      43.32965 
1 1 1 3   19 11 o 852.208 29.548 154.770 10.664 154.770 10.664  0.0000  0.0000 852.208 29.548 ?       ?      0.000000       29.54777 
1 1 1 3   19 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   19 13 o 617.688 30.515 81.403  7.9823 0.0000  0.0000  81.403  7.9823 ?       ?      617.688 30.515 0.000000       30.51506 
1 1 1 3   19 14 o 234.270 23.807 11.799  2.3291 10.917  3.2824  12.694  3.3053 223.039 35.975 241.456 33.203 -18.41713      48.95547 
1 1 1 3   19 15 o 176.621 26.560 6.7968  1.9251 6.9804  2.5556  6.5559  2.9271 177.444 35.251 171.175 40.932 6.269012       54.01924 
1 1 1 3   19 16 o 342.891 22.553 25.138  3.2566 22.031  4.4270  28.803  4.8076 318.998 33.259 365.590 31.355 -46.59146      45.70922 
1 1 1 3   19 17 o 826.871 22.471 145.594 7.8687 136.543 10.828  155.723 11.454 798.440 32.023 852.769 31.717 -54.32928      45.07168 
1 1 1 3   19 18 o 533.075 21.987 60.527  4.9636 62.396  6.8394  58.448  7.2147 539.052 30.080 520.959 32.870 18.09290       44.55622 
1 1 1 3   19 19 o 328.465 23.219 23.140  3.2091 19.568  4.3138  27.566  4.8019 299.446 34.657 356.710 32.133 -57.26367      47.26136 
1 1 1 3   19 20 o 210.279 35.611 9.8274  3.0580 9.8274  3.0580  0.0000  0.0000 210.279 35.611 ?       ?      0.000000       35.61071 
1 1 1 3   19 21 o 764.651 33.708 126.904 10.915 0.0000  0.0000  126.904 10.915 ?       ?      764.651 33.708 0.000000       33.70794 
1 1 1 3   19 22 o 428.955 23.000 39.585  4.1629 36.798  5.6292  42.949  6.1843 410.240 32.672 443.168 33.193 -32.92776      46.57520 
1 1 1 3   19 23 o 404.782 23.664 35.381  4.0388 34.890  5.5403  35.939  5.9001 398.273 33.149 403.462 34.874 -5.189453      48.11522 
1 1 1 3   19 24 o 338.073 24.267 24.846  3.4512 25.203  4.7063  24.431  5.0763 336.652 33.453 329.688 36.996 6.964783       49.87834 
1 1 1 3   19 25 o 308.735 24.936 20.821  3.2324 18.918  4.3422  23.186  4.8412 289.339 36.231 320.655 36.290 -31.31519      51.27991 
1 1 1 3   19 26 o 133.509 29.654 4.0771  1.6330 0.6217  2.5400  6.5117  2.1321 92.304  38.665 169.167 30.899 -76.86359      49.49490 
1 1 1 3   19 27 o 286.903 25.813 18.195  3.1027 20.893  4.2765  15.196  4.5084 303.190 33.886 252.388 43.767 50.80196       55.35196 
1 1 1 3   20 0  o 522.789 13.259 58.071  2.9354 61.084  4.9187  56.405  3.6583 534.634 21.724 514.699 16.784 19.93469       27.45246 
1 1 1 3   20 1  o 426.020 13.513 38.565  2.4380 35.010  4.0712  40.553  3.0442 403.723 23.919 436.491 16.468 -32.76825      29.03975 
1 1 1 3   20 2  o 216.583 15.951 10.033  1.4527 10.366  2.4452  9.8516  1.8060 218.176 27.045 213.962 20.170 4.214188       33.73758 
1 1 1 3   20 3  o 311.305 14.963 20.601  1.9726 19.413  3.3480  21.233  2.4413 299.780 26.649 315.202 18.369 -15.42139      32.36676 
1 1 1 3   20 4  o 447.168 14.648 42.487  2.7739 47.676  4.7264  39.760  3.4259 471.793 23.731 432.113 18.721 39.67978       30.22689 
1 1 1 3   20 5  o 568.929 18.464 68.878  4.4487 69.244  6.2301  68.497  6.3545 569.092 25.851 565.872 26.517 3.219727       37.03242 
1 1 1 3   20 6  o 1101.03 21.465 258.170 10.008 254.887 14.040  261.562 14.271 1090.88 30.392 1105.03 30.495 -14.14978      43.05343 
1 1 1 3   20 7  o 143.860 24.716 4.5336  1.4515 4.3452  1.9856  4.7498  2.1271 139.645 33.914 145.946 34.889 -6.301071      48.65601 
1 1 1 3   20 8  f 648.929 19.540 89.481  5.3699 87.062  7.4797  92.054  7.7142 638.979 27.641 657.029 27.725 -18.04926      39.14941 
1 1 1 3   20 9  o 865.726 20.719 159.254 7.5963 154.842 10.562  163.982 10.934 852.175 29.265 876.927 29.442 -24.75238      41.51234 
1 1 1 3   20 10 o 522.731 27.571 58.352  6.0818 58.352  6.0818  0.0000  0.0000 522.731 27.571 ?       ?      0.000000       27.57065 
1 1 1 3   20 11 o 695.244 20.590 102.679 6.0623 105.661 8.3515  99.359  8.8138 704.306 28.000 682.605 30.490 21.70068       41.39594 
1 1 1 3   20 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   20 13 o 514.102 20.762 56.173  4.5203 55.509  6.2362  56.909  6.5616 509.341 29.031 515.530 30.186 -6.188721      41.88136 
1 1 1 3   20 14 o 639.121 30.725 87.276  8.3162 0.0000  0.0000  87.276  8.3162 ?       ?      639.121 30.725 0.000000       30.72547 
1 1 1 3   20 15 o 500.886 21.242 53.375  4.5059 50.056  6.1917  57.111  6.5698 482.946 30.429 516.028 30.195 -33.08154      42.86792 
1 1 1 3   20 16 o 152.079 31.816 5.1338  1.9833 6.1695  2.7673  4.0401  2.8437 165.976 39.869 137.574 43.549 28.40222       59.04325 
1 1 1 3   20 17 o 236.310 24.476 12.032  2.4139 14.104  3.3954  9.9137  3.4325 254.604 32.211 211.133 39.850 43.47121       51.24046 
1 1 1 3   20 18 o 621.949 21.928 82.425  5.7755 79.398  7.8923  85.914  8.4744 607.831 30.760 632.838 31.621 -25.00610      44.11430 
1 1 1 3   20 19 o 289.472 33.640 18.297  4.0470 18.297  4.0470  0.0000  0.0000 289.472 33.640 ?       ?      0.000000       33.64046 
1 1 1 3   20 20 o 358.105 23.130 27.553  3.4891 20.978  4.7009  35.618  5.2063 308.663 36.681 405.306 30.557 -96.64392      47.74115 
1 1 1 3   20 21 o 1087.19 36.307 257.975 16.716 0.0000  0.0000  257.975 16.716 ?       ?      1087.19 36.307 0.000000       36.30749 
1 1 1 3   20 22 o 701.883 23.086 105.781 6.8620 98.765  9.2914  114.199 10.178 673.599 32.571 723.940 33.198 -50.34076      46.50787 
1 1 1 3   20 23 o 375.136 23.560 30.441  3.7239 32.252  5.1407  28.441  5.4017 382.838 32.001 357.482 36.179 25.35568       48.30077 
1 1 1 3   20 24 o 96.045  34.313 1.7956  1.7651 -1.1442 2.3467  5.6251  2.6784 75.258  34.112 155.251 40.362 -79.99267      52.84661 
1 1 1 3   20 25 o 327.360 24.217 23.380  3.3335 23.712  4.5325  22.988  4.9197 325.503 33.351 318.405 37.186 7.098206       49.95088 
1 1 1 3   20 26 o 207.972 27.851 9.6707  2.3914 12.578  3.2050  6.0191  3.5917 235.280 33.080 157.667 48.799 77.61235       58.95389 
1 1 1 3   20 27 o 362.627 24.714 28.918  3.7727 30.449  5.0768  27.030  5.6381 366.922 33.026 340.744 39.822 26.17804       51.73513 
1 1 1 3   21 0  o 565.917 11.637 67.986  2.7890 68.799  3.9329  67.163  3.9555 568.595 16.333 561.745 16.627 6.849426       23.30743 
1 1 1 3   21 1  o 243.304 15.079 12.634  1.5460 14.186  2.5991  11.784  1.9232 256.375 24.226 234.302 19.562 22.07304       31.13776 
1 1 1 3   21 2  o 234.553 15.476 11.747  1.5287 9.7995  2.5271  12.871  1.9197 211.750 28.939 245.126 18.632 -33.37633      34.41807 
1 1 1 3   21 3  f 567.129 14.592 68.334  3.5046 68.450  5.8691  68.270  4.3689 565.885 24.491 566.332 18.216 -0.4471436     30.52264 
1 1 1 3   21 4  o 282.142 15.896 16.971  1.8916 18.955  3.2122  15.917  2.3404 296.678 25.825 272.600 20.421 24.07773       32.92313 
1 1 1 3   21 5  o 500.061 18.116 53.170  3.8364 48.038  5.3076  58.785  5.5518 473.458 26.579 524.825 24.979 -51.36676      36.47416 
1 1 1 3   21 6  o 832.917 19.696 147.532 6.9475 152.898 9.7438  141.982 9.9086 846.287 27.187 815.139 28.704 31.14819       39.53557 
1 1 1 3   21 7  o 265.712 20.023 15.092  2.2366 12.960  3.1195  17.347  3.2084 244.404 30.825 283.966 27.005 -39.56218      40.98108 
1 1 1 3   21 8  o 612.390 19.323 79.663  5.0113 76.279  6.9413  83.346  7.2423 598.283 27.396 625.389 27.345 -27.10571      38.70806 
1 1 1 3   21 9  o 617.706 27.355 81.268  7.1559 81.268  7.1559  0.0000  0.0000 617.706 27.355 ?       ?      0.000000       27.35514 
1 1 1 3   21 10 o 229.711 22.378 11.321  2.1493 12.531  3.0321  10.099  3.0470 240.548 30.446 214.757 34.685 25.79170       46.15201 
1 1 1 3   21 11 o 634.614 29.655 85.867  7.9698 0.0000  0.0000  85.867  7.9698 ?       ?      634.614 29.655 0.000000       29.65466 
1 1 1 3   21 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   21 13 o 810.949 21.453 139.845 7.3676 141.846 10.117  137.585 10.750 815.236 29.304 802.375 31.638 12.86041       43.12381 
1 1 1 3   21 14 o 213.691 24.722 9.8566  2.1959 9.9097  3.0827  9.8020  3.1287 212.207 35.561 210.864 36.349 1.343048       50.85138 
1 1 1 3   21 15 o 340.740 22.124 24.819  3.1752 26.732  4.4417  22.819  4.5409 352.326 30.056 324.622 33.513 27.70453       45.01674 
1 1 1 3   21 16 o 203.437 26.226 8.9752  2.2069 8.8485  3.1375  9.0993  3.1048 199.490 38.533 202.564 37.576 -3.073807      53.82177 
1 1 1 3   21 17 o 502.534 21.915 53.789  4.6638 52.568  6.4537  55.123  6.7475 494.426 30.978 506.177 31.636 -11.75104      44.27741 
1 1 1 3   21 18 o 315.375 22.742 21.324  3.0170 22.966  4.1491  19.482  4.3947 325.815 30.423 298.674 35.436 27.14157       46.70378 
1 1 1 3   21 19 o 253.084 34.095 14.075  3.5613 14.075  3.5613  0.0000  0.0000 253.084 34.095 ?       ?      0.000000       34.09488 
1 1 1 3   21 20 o 374.286 33.464 30.597  5.2483 0.0000  0.0000  30.597  5.2483 ?       ?      374.286 33.464 0.000000       33.46392 
1 1 1 3   21 21 o 669.910 22.624 96.228  6.4186 85.773  8.6585  108.982 9.5632 627.441 32.699 708.586 31.869 -81.14459      45.66000 
1 1 1 3   21 22 o 662.435 23.095 94.310  6.4788 94.162  8.8194  94.483  9.5490 657.659 31.666 656.308 34.477 1.350830       46.81241 
1 1 1 3   21 23 o 221.967 27.599 10.859  2.5383 9.2165  3.4372  12.829  3.7646 199.297 42.047 237.411 38.783 -38.11414      57.20179 
1 1 1 3   21 24 o 270.546 25.885 16.054  2.9295 12.353  4.0900  19.953  4.1980 229.723 43.637 298.461 33.810 -68.73851      55.20228 
1 1 1 3   21 25 o 416.577 23.643 37.791  4.1539 38.354  5.6847  37.146  6.0846 414.569 32.643 405.900 35.763 8.669189       48.42047 
1 1 1 3   21 26 o 183.258 32.190 7.6939  2.4071 9.3126  3.3943  6.0564  3.4140 197.463 41.888 157.698 47.335 39.76450       63.20779 
1 1 1 3   21 27 o 313.820 35.281 22.552  4.6076 22.552  4.6076  0.0000  0.0000 313.820 35.281 ?       ?      0.000000       35.28146 
1 1 1 3   22 0  o 170.911 14.894 6.2547  1.0672 6.0101  1.5240  6.4900  1.4949 166.361 22.185 173.233 20.792 -6.871826      30.40553 
1 1 1 3   22 1  o 504.780 13.353 54.108  2.8544 53.328  4.7493  54.549  3.5714 499.827 22.437 506.433 16.652 -6.605865      27.94105 
1 1 1 3   22 2  o 264.095 14.889 14.865  1.6584 16.680  2.7428  13.819  2.0821 278.530 23.472 253.996 19.506 24.53433       30.51909 
1 1 1 3   22 3  o 590.433 14.405 74.031  3.6020 78.659  6.0511  71.491  4.4827 607.146 23.534 579.708 18.259 27.43781       29.78681 
1 1 1 3   22 4  o 541.668 14.754 62.297  3.3845 59.487  5.7163  63.815  4.1998 527.863 25.571 547.847 18.102 -19.98334      31.33017 
1 1 1 3   22 5  o 465.408 15.074 45.982  2.9710 49.430  5.0668  44.176  3.6677 480.841 24.968 455.832 19.000 25.00885       31.37501 
1 1 1 3   22 6  o 735.649 19.144 115.009 5.9642 112.866 8.3624  117.228 8.5087 727.431 27.145 741.363 27.101 -13.93182      38.35808 
1 1 1 3   22 7  o 567.460 18.772 68.398  4.5113 69.553  6.2825  67.168  6.4820 571.421 25.962 561.363 27.266 10.05750       37.64883 
1 1 1 3   22 8  o 521.790 26.878 58.139  5.9191 58.139  5.9191  0.0000  0.0000 521.790 26.878 ?       ?      0.000000       26.87807 
1 1 1 3   22 9  o 139.759 37.095 4.3278  2.2321 4.3278  2.2321  0.0000  0.0000 139.759 37.095 ?       ?      0.000000       37.09493 
1 1 1 3   22 10 o 387.900 28.708 32.240  4.6824 0.0000  0.0000  32.240  4.6824 ?       ?      387.900 28.708 0.000000       28.70784 
1 1 1 3   22 11 o 756.524 20.586 121.617 6.5953 115.689 9.1160  128.128 9.5538 736.540 29.226 775.148 29.104 -38.60815      41.24524 
1 1 1 3   22 12 o 506.549 29.897 54.955  6.3851 0.0000  0.0000  54.955  6.3851 ?       ?      506.549 29.897 0.000000       29.89737 
1 1 1 3   22 13 o 898.797 21.704 171.853 8.2611 177.643 11.387  165.418 12.004 912.028 29.481 879.354 32.233 32.67407       43.68218 
1 1 1 3   22 14 o 323.249 21.608 22.334  2.9410 23.518  4.0615  21.029  4.2643 330.483 29.324 311.679 32.799 18.80316       43.99659 
1 1 1 3   22 15 o 619.634 21.265 81.720  5.5800 79.523  7.6210  84.260  8.1927 609.791 29.511 627.407 30.834 -17.61658      42.68097 
1 1 1 3   22 16 o 509.809 21.576 55.339  4.6583 59.843  6.4373  50.388  6.7494 528.232 28.886 483.566 33.158 44.66595       43.97580 
1 1 1 3   22 17 f 227.674 25.720 11.208  2.4364 11.787  3.3413  10.551  3.5603 231.572 35.178 217.700 40.094 13.87193       53.33871 
1 1 1 3   22 18 o 444.670 29.895 42.643  5.5970 42.643  5.5970  0.0000  0.0000 444.670 29.895 ?       ?      0.000000       29.89521 
1 1 1 3   22 19 o 658.505 30.255 93.455  8.4372 93.455  8.4372  0.0000  0.0000 658.505 30.255 ?       ?      0.000000       30.25497 
1 1 1 3   22 20 o 732.253 33.904 116.537 10.514 0.0000  0.0000  116.537 10.514 ?       ?      732.253 33.904 0.000000       33.90379 
1 1 1 3   22 21 o 423.077 23.127 38.539  4.1280 36.812  5.4561  40.850  6.3128 410.517 31.628 431.173 34.871 -20.65674      47.07752 
1 1 1 3   22 22 o 632.311 23.123 86.032  6.1919 78.765  8.3435  94.940  9.2382 599.267 33.004 657.901 33.265 -58.63336      46.85971 
1 1 1 3   22 23 o 132.161 38.550 3.9976  2.2909 4.3165  2.9839  3.5397  3.5752 138.320 44.697 132.841 48.645 5.479462       66.06200 
1 1 1 3   22 24 o 289.446 25.258 18.346  3.0650 16.181  4.1178  21.035  4.5896 266.460 37.531 305.032 36.238 -38.57278      52.17072 
1 1 1 3   22 25 o 230.023 27.148 11.749  2.5936 8.9382  3.4905  15.214  3.8755 193.357 43.660 257.720 36.531 -64.36273      56.92770 
1 1 1 3   22 26 f 239.822 27.346 12.836  2.7277 12.212  3.7051  13.574  4.0304 227.592 39.896 239.424 41.238 -11.83194      57.37817 
1 1 1 3   22 27 f 184.292 44.760 8.3008  3.4586 8.3008  3.4586  0.0000  0.0000 184.292 44.760 ?       ?      0.000000       44.76044 
1 1 1 3   23 0  o 208.289 13.342 9.2480  1.1707 8.0827  1.6720  10.368  1.6396 193.683 20.706 220.069 17.743 -26.38618      27.26813 
1 1 1 3   23 1  o 418.820 12.048 37.218  2.1369 36.315  3.0086  38.137  3.0355 413.273 17.190 423.539 16.924 -10.26602      24.12304 
1 1 1 3   23 2  o 412.584 13.779 36.135  2.4075 34.022  3.9392  37.395  3.0417 398.723 23.432 419.430 17.124 -20.70694      29.02208 
1 1 1 3   23 3  o 427.555 14.329 38.805  2.5946 40.150  4.2835  38.025  3.2608 433.377 23.426 422.913 18.207 10.46399       29.66943 
1 1 1 3   23 4  o 344.208 15.325 25.153  2.2339 28.408  3.7161  23.311  2.7954 364.309 24.225 330.457 20.070 33.85199       31.45863 
1 1 1 3   23 5  o 481.574 15.045 49.218  3.0684 48.160  5.2015  49.783  3.8000 474.612 25.977 484.046 18.537 -9.433777      31.91320 
1 1 1 3   23 6  o 1262.90 22.437 339.260 12.000 362.441 16.829  315.287 17.115 1302.82 30.502 1214.15 33.285 88.67078       45.14753 
1 1 1 3   23 7  o 386.550 26.578 31.973  4.3244 31.973  4.3244  0.0000  0.0000 386.550 26.578 ?       ?      0.000000       26.57836 
1 1 1 3   23 8  o 1400.86 23.928 417.436 14.195 413.472 19.874  421.565 20.283 1391.07 33.735 1404.48 34.102 -13.41003      47.96902 
1 1 1 3   23 9  o 562.276 28.017 67.365  6.6714 0.0000  0.0000  67.365  6.6714 ?       ?      562.276 28.017 0.000000       28.01704 
1 1 1 3   23 10 o 478.358 28.368 48.944  5.7211 0.0000  0.0000  48.944  5.7211 ?       ?      478.358 28.368 0.000000       28.36773 
1 1 1 3   23 11 o 645.749 20.055 88.611  5.4845 84.701  7.5823  92.901  7.9428 630.218 28.410 660.017 28.417 -29.79889      40.18240 
1 1 1 3   23 12 o 441.610 30.026 41.842  5.5820 0.0000  0.0000  41.842  5.5820 ?       ?      441.610 30.026 0.000000       30.02604 
1 1 1 3   23 13 o 889.988 21.562 168.543 8.1266 167.532 11.194  169.669 11.817 885.333 29.857 890.540 31.333 -5.207642      43.28012 
1 1 1 3   23 14 o 546.485 20.736 63.545  4.7990 64.902  6.5631  61.986  7.0349 550.442 28.250 537.257 31.052 13.18530       41.97958 
1 1 1 3   23 15 f 512.491 21.337 55.915  4.6309 64.109  6.3556  46.641  6.7614 547.114 27.518 464.807 34.597 82.30649       44.20654 
1 1 1 3   23 16 o 643.563 21.456 88.204  5.8476 87.376  8.0842  89.113  8.4688 638.820 29.882 644.863 31.010 -6.043396      43.06512 
1 1 1 3   23 17 o 1055.52 23.312 237.739 10.420 230.892 14.291  245.512 15.227 1036.42 32.559 1068.19 33.661 -31.76123      46.83137 
1 1 1 3   23 18 o 470.883 29.870 47.867  5.9256 47.867  5.9256  0.0000  0.0000 470.883 29.870 ?       ?      0.000000       29.86970 
1 1 1 3   23 19 o 371.138 33.638 30.089  5.2295 0.0000  0.0000  30.089  5.2295 ?       ?      371.138 33.638 0.000000       33.63774 
1 1 1 3   23 20 o 99.879  35.356 1.9222  1.8698 -0.0002 2.3300  5.3995  3.1337 84.825  36.338 154.143 45.123 -69.31803      57.93514 
1 1 1 3   23 21 o 569.363 22.705 69.621  5.4746 68.762  7.3829  70.671  8.1599 561.567 31.167 567.736 34.097 -6.168823      46.19466 
1 1 1 3   23 22 o 263.547 27.051 15.209  2.9763 12.539  3.7967  19.465  4.7939 234.582 39.630 293.460 39.584 -58.87766      56.01271 
1 1 1 3   23 23 o 175.222 33.420 6.9932  2.3894 9.9764  3.1405  2.8927  3.6820 208.762 36.871 126.975 48.756 81.78660       61.12753 
1 1 1 3   23 24 o 124.551 37.423 3.5479  2.1331 3.8958  2.7430  3.0157  3.3928 131.311 42.885 125.276 47.103 6.035225       63.70085 
1 1 1 3   23 25 o 317.306 25.428 22.173  3.3882 21.534  4.6119  22.921  4.9941 306.792 36.194 315.344 38.174 -8.551514      52.60466 
1 1 1 3   23 26 o 173.642 45.246 7.4045  3.3608 7.4045  3.3608  0.0000  0.0000 173.642 45.246 ?       ?      0.000000       45.24623 
1 1 1 3   24 0  o 326.327 11.753 22.588  1.6242 22.144  2.3216  23.014  2.2731 322.340 17.068 329.122 16.309 -6.782806      23.60702 
1 1 1 3   24 1  o 453.971 11.901 43.714  2.2881 42.107  3.2338  45.326  3.2378 445.130 17.155 461.889 16.553 -16.75952      23.83854 
1 1 1 3   24 2  o 180.146 17.353 6.9588  1.3075 7.2831  2.1564  6.7702  1.6442 182.415 28.876 176.906 22.452 5.509613       36.57803 
1 1 1 3   24 3  o 520.604 14.123 57.512  3.1137 55.994  5.1769  58.373  3.8975 512.672 23.845 524.179 17.558 -11.50732      29.61132 
1 1 1 3   24 4  o 308.322 15.144 20.175  1.9773 19.437  3.2845  20.594  2.4764 300.861 26.035 310.746 18.908 -9.884705      32.17629 
1 1 1 3   24 5  o 299.803 27.350 19.318  3.4343 19.318  3.4343  0.0000  0.0000 299.803 27.350 ?       ?      0.000000       27.35024 
1 1 1 3   24 6  o 694.526 26.519 102.750 7.7999 102.750 7.7999  0.0000  0.0000 694.526 26.519 ?       ?      0.000000       26.51896 
1 1 1 3   24 7  o 579.453 18.691 71.300  4.5866 71.307  6.4374  71.293  6.5367 578.676 26.268 578.569 26.678 0.1065063      37.43992 
1 1 1 3   24 8  o 688.790 28.006 101.100 8.1693 0.0000  0.0000  101.100 8.1693 ?       ?      688.790 28.006 0.000000       28.00629 
1 1 1 3   24 9  o 1184.76 32.239 299.800 16.176 0.0000  0.0000  299.800 16.176 ?       ?      1184.76 32.239 0.000000       32.23923 
1 1 1 3   24 10 o 343.872 20.145 25.213  2.9208 24.854  4.0632  25.597  4.2016 340.225 28.462 345.216 29.008 -4.991058      40.63945 
1 1 1 3   24 11 f 632.592 27.873 85.361  7.4672 85.361  7.4672  0.0000  0.0000 632.592 27.873 ?       ?      0.000000       27.87342 
1 1 1 3   24 12 o 818.920 20.920 142.649 7.2551 139.905 10.042  145.646 10.493 809.240 29.303 825.498 30.015 -16.25787      41.94732 
1 1 1 3   24 13 o 504.859 20.486 54.224  4.3800 54.298  6.0264  54.141  6.3770 503.341 28.387 502.237 30.121 1.103943       41.39008 
1 1 1 3   24 14 o 360.095 21.599 27.707  3.2785 25.250  4.4260  30.693  4.8802 342.040 30.889 377.386 30.804 -35.34610      43.62389 
1 1 1 3   24 15 o 651.120 21.106 90.264  5.8200 85.993  7.9384  95.227  8.5578 633.865 29.573 666.853 30.303 -32.98773      42.34191 
1 1 1 3   24 16 o 264.343 23.358 15.018  2.5879 10.310  3.5423  20.406  3.7899 215.031 40.382 307.292 29.485 -92.26115      50.00108 
1 1 1 3   24 17 f 509.677 28.649 55.890  6.1587 55.890  6.1587  0.0000  0.0000 509.677 28.649 ?       ?      0.000000       28.64940 
1 1 1 3   24 18 f 545.514 21.326 63.568  4.9268 60.422  6.6669  67.353  7.3130 528.823 29.892 557.975 31.071 -29.15173      43.11562 
1 1 1 3   24 19 o 676.703 33.015 99.396  9.4613 0.0000  0.0000  99.396  9.4613 ?       ?      676.703 33.015 0.000000       33.01470 
1 1 1 3   24 20 o 430.905 22.127 39.922  4.0242 39.606  5.4134  40.312  6.0165 426.436 30.170 428.917 33.386 -2.480255      44.99866 
1 1 1 3   24 21 o 415.818 22.832 37.285  4.0052 35.860  5.3747  39.064  6.0062 404.437 31.633 421.135 33.966 -16.69852      46.41437 
1 1 1 3   24 22 o 106.156 36.054 2.3574  1.9353 3.6088  2.3457  -0.3099 3.4246 126.757 39.470 98.695  43.155 28.06187       58.48290 
1 1 1 3   24 23 o 108.464 36.729 2.5049  2.0083 0.5325  2.4603  6.4443  3.4770 90.690  38.024 164.271 47.371 -73.58176      60.74393 
1 1 1 3   24 24 o 173.278 32.828 6.8695  2.3208 8.0814  2.9868  5.0229  3.6868 185.755 39.200 147.409 49.764 38.34564       63.34946 
1 1 1 3   24 25 o 248.952 28.078 13.854  2.9086 14.065  3.9237  13.596  4.3334 245.118 39.113 237.579 44.711 7.539658       59.40490 
1 1 1 3   24 26 o 90.524  38.122 0.5912  2.4906 0.5912  2.4906  0.0000  0.0000 90.524  38.122 ?       ?      0.000000       38.12175 
1 1 1 3   25 0  o 116.488 19.518 2.9630  0.9288 3.3011  1.3600  2.6676  1.2714 122.006 27.034 109.654 27.445 12.35215       38.52312 
1 1 1 3   25 1  o 216.188 14.326 9.9615  1.3042 10.479  1.8174  9.4123  1.8726 221.142 19.610 209.239 21.436 11.90277       29.05195 
1 1 1 3   25 2  o 676.919 14.096 97.223  4.0409 95.055  6.6801  98.474  5.0746 668.106 23.610 680.874 17.599 -12.76831      29.44777 
1 1 1 3   25 3  o 424.692 17.046 38.298  3.0658 40.493  4.2032  35.804  4.4814 435.610 22.865 409.061 26.004 26.54846       34.62671 
1 1 1 3   25 4  o 283.980 26.112 17.325  3.1052 17.325  3.1052  0.0000  0.0000 283.980 26.112 ?       ?      0.000000       26.11250 
1 1 1 3   25 5  o 339.246 25.665 24.645  3.6600 24.645  3.6600  0.0000  0.0000 339.246 25.665 ?       ?      0.000000       25.66536 
1 1 1 3   25 6  o 239.371 22.379 12.289  2.2423 0.0000  0.0000  12.289  2.2423 ?       ?      239.371 22.379 0.000000       22.37926 
1 1 1 3   25 7  o 855.626 20.455 155.556 7.4117 0.0000  0.0000  155.556 7.4117 ?       ?      855.626 20.455 0.000000       20.45454 
1 1 1 3   25 8  o 255.175 20.742 13.928  2.2221 15.055  3.1181  12.766  3.1674 264.273 28.301 242.523 31.589 21.74916       42.41269 
1 1 1 3   25 9  f 219.840 22.713 10.389  2.0841 9.8955  2.8938  10.920  3.0039 212.674 33.216 223.753 32.664 -11.07964      46.58587 
1 1 1 3   25 10 o 1065.22 21.765 241.348 9.8186 237.217 13.685  245.730 14.095 1053.75 30.667 1072.37 31.037 -18.62476      43.63187 
1 1 1 3   25 11 o 349.322 28.654 26.227  4.2015 26.227  4.2015  0.0000  0.0000 349.322 28.654 ?       ?      0.000000       28.65370 
1 1 1 3   25 12 o 586.677 20.164 73.211  5.0099 71.766  6.9356  74.788  7.2446 579.599 28.256 591.552 28.919 -11.95337      40.43139 
1 1 1 3   25 13 o 263.631 23.053 14.920  2.5479 13.277  3.4748  16.831  3.7471 246.447 34.217 278.399 32.387 -31.95224      47.11410 
1 1 1 3   25 14 o 511.959 20.889 55.798  4.5289 54.689  6.2383  57.035  6.5854 504.709 29.313 515.212 30.316 -10.50259      42.16989 
1 1 1 3   25 15 o 417.894 21.402 37.294  3.7748 40.747  5.1831  33.394  5.5085 435.532 28.254 392.927 33.421 42.60535       43.76381 
1 1 1 3   25 16 o 78.007  30.805 0.7326  1.5033 -1.6226 2.1067  3.1761  2.1458 68.144  31.421 121.418 37.741 -53.27393      49.10876 
1 1 1 3   25 17 o 152.808 41.065 5.2663  2.7144 5.2663  2.7144  0.0000  0.0000 152.808 41.065 ?       ?      0.000000       41.06508 
1 1 1 3   25 18 o 371.081 32.411 30.023  5.0422 0.0000  0.0000  30.023  5.0422 ?       ?      371.081 32.411 0.000000       32.41083 
1 1 1 3   25 19 o 369.570 22.434 29.387  3.4944 25.230  4.6200  34.943  5.3420 339.303 32.552 400.060 31.793 -60.75769      45.50189 
1 1 1 3   25 20 o 478.824 21.862 49.194  4.4331 46.794  6.0005  52.079  6.5780 463.084 30.773 488.059 32.003 -24.97510      44.39746 
1 1 1 3   25 21 o 378.771 23.153 31.015  3.6961 30.265  4.9764  31.938  5.5197 370.715 32.012 379.629 34.718 -8.913422      47.22387 
1 1 1 3   25 22 o 276.324 25.280 16.708  2.9255 18.005  3.8494  14.936  4.5010 284.001 32.597 253.346 43.520 30.65552       54.37395 
1 1 1 3   25 23 o 267.183 26.092 15.710  2.9146 19.159  3.7821  10.665  4.5737 293.172 30.929 208.389 51.995 84.78313       60.49884 
1 1 1 3   25 24 o 161.169 33.135 5.9923  2.1860 5.7709  2.7411  6.3789  3.6232 155.683 41.006 161.916 48.801 -6.233582      63.74215 
1 1 1 3   25 25 o 551.942 31.758 68.567  7.3919 68.567  7.3919  0.0000  0.0000 551.942 31.758 ?       ?      0.000000       31.75813 
1 1 1 3   25 26 o 299.014 24.593 19.752  3.0866 19.254  4.2761  20.295  4.4600 288.758 35.730 296.142 36.324 -7.383514      50.95180 
1 1 1 3   26 0  f 92.127  26.212 1.8540  1.0715 1.7684  1.3160  2.0224  1.8457 92.225  29.671 101.976 35.194 -9.750404      46.03191 
1 1 1 3   26 1  o 309.582 14.636 20.336  1.9189 18.749  2.3784  23.296  3.2480 296.439 19.046 329.997 23.393 -33.55820      30.16588 
1 1 1 3   26 2  o 389.811 22.639 32.437  3.7211 32.437  3.7211  0.0000  0.0000 389.811 22.639 ?       ?      0.000000       22.63865 
1 1 1 3   26 3  o 425.263 23.411 38.597  4.2000 38.597  4.2000  0.0000  0.0000 425.263 23.411 ?       ?      0.000000       23.41094 
1 1 1 3   26 4  o 331.938 15.054 23.377  2.1162 22.321  3.5129  23.978  2.6513 322.711 25.923 335.481 18.737 -12.77005      31.98528 
1 1 1 3   26 5  o 202.170 23.948 8.8169  2.0105 0.0000  0.0000  8.8169  2.0105 ?       ?      202.170 23.948 0.000000       23.94757 
1 1 1 3   26 6  o 574.043 19.224 69.995  4.6733 0.0000  0.0000  69.995  4.6733 ?       ?      574.043 19.224 0.000000       19.22351 
1 1 1 3   26 7  o 468.325 15.679 46.541  3.1096 50.455  5.2354  44.407  3.8653 486.112 25.521 457.164 19.965 28.94858       32.40207 
1 1 1 3   26 8  o 676.143 16.195 97.034  4.6372 99.182  7.6178  95.769  5.8450 682.255 26.366 671.234 20.562 11.02045       33.43560 
1 1 1 3   26 9  o 429.984 19.253 39.288  3.5059 34.880  4.8142  44.266  5.1158 403.338 28.365 454.908 26.671 -51.56976      38.93499 
1 1 1 3   26 10 o 361.809 19.996 27.917  3.0519 27.497  4.2378  28.369  4.3988 357.811 28.195 363.366 28.822 -5.554443      40.31985 
1 1 1 3   26 11 o 362.951 27.798 28.294  4.2403 28.294  4.2403  0.0000  0.0000 362.951 27.798 ?       ?      0.000000       27.79806 
1 1 1 3   26 12 o 661.804 20.184 93.189  5.6568 91.643  7.8379  94.870  8.1725 654.778 28.266 666.051 28.974 -11.27252      40.47750 
1 1 1 3   26 13 o 560.782 20.315 66.932  4.8245 64.295  6.6713  69.823  6.9854 547.459 28.877 570.536 29.007 -23.07672      40.93012 
1 1 1 3   26 14 o 517.085 20.599 56.925  4.5108 54.147  6.1768  60.100  6.6028 502.117 29.174 528.983 29.593 -26.86652      41.55560 
1 1 1 3   26 15 o 424.474 21.154 38.390  3.8027 39.880  5.1832  36.653  5.5962 430.620 28.585 411.845 32.346 18.77496       43.16669 
1 1 1 3   26 16 o 272.230 32.619 16.181  3.6857 16.181  3.6857  0.0000  0.0000 272.230 32.619 ?       ?      0.000000       32.61927 
1 1 1 3   26 17 o 577.581 21.188 71.268  5.1826 68.763  7.0806  74.157  7.6062 564.191 29.740 585.549 30.782 -21.35779      42.80133 
1 1 1 3   26 18 o 434.460 32.734 41.186  5.9785 0.0000  0.0000  41.186  5.9785 ?       ?      434.460 32.734 0.000000       32.73403 
1 1 1 3   26 19 o 215.137 26.733 10.131  2.3831 10.917  3.2150  9.1731  3.5502 220.850 35.584 199.718 43.229 21.13211       55.99061 
1 1 1 3   26 20 f 195.741 28.905 8.4795  2.3240 7.5575  3.1632  9.5607  3.4256 180.830 42.094 204.183 41.040 -23.35269      58.78935 
1 1 1 3   26 21 o 136.306 34.930 4.2588  2.0255 6.6581  2.6064  0.6007  3.2184 170.125 37.213 102.642 43.286 67.48336       57.08302 
1 1 1 3   26 22 o 156.693 33.396 5.6350  2.1483 5.8855  2.8258  5.2919  3.3070 158.002 41.643 150.242 46.878 7.759796       62.70313 
1 1 1 3   26 23 o 53.836  25.706 -2.0937 1.6408 -3.1813 1.9756  0.3244  2.9458 55.488  26.921 95.705  40.924 -40.21603      48.98500 
1 1 1 3   26 24 o 424.918 23.355 39.501  4.1865 37.284  5.5498  42.429  6.3775 406.750 32.489 431.852 35.177 -25.10172      47.88534 
1 1 1 3   26 25 o 248.160 37.908 14.433  3.8575 14.433  3.8575  0.0000  0.0000 248.160 37.908 ?       ?      0.000000       37.90800 
1 1 1 3   27 0  o 227.532 15.761 11.040  1.5093 8.9567  1.8813  14.801  2.5282 204.025 22.129 262.763 22.950 -58.73793      31.88110 
1 1 1 3   27 1  o 568.395 13.895 68.529  3.3447 68.344  4.0640  68.918  5.8885 567.387 16.913 568.967 24.438 -1.579407      29.72019 
1 1 1 3   27 2  o 58.040  25.821 -0.4909 1.2766 -1.6808 2.6380  -0.1271 1.4588 78.604  35.836 66.544  28.635 12.06007       45.87171 
1 1 1 3   27 3  o 267.484 19.858 15.285  2.2334 0.0000  0.0000  15.285  2.2334 ?       ?      267.484 19.858 0.000000       19.85799 
1 1 1 3   27 4  o 311.156 19.489 20.648  2.5551 0.0000  0.0000  20.648  2.5551 ?       ?      311.156 19.489 0.000000       19.48869 
1 1 1 3   27 5  o 275.401 16.411 16.155  1.9053 15.169  3.0707  16.772  2.4295 265.343 27.737 280.167 20.622 -14.82391      34.56284 
1 1 1 3   27 6  o 393.258 15.622 32.818  2.6017 31.952  4.2364  33.342  3.2967 386.435 26.039 396.137 19.651 -9.701508      32.62163 
1 1 1 3   27 7  f 729.220 15.936 112.863 4.9213 118.476 8.2338  109.744 6.1383 745.663 26.074 718.563 20.172 27.09998       32.96622 
1 1 1 3   27 8  o 1102.72 17.729 258.272 8.2793 258.066 13.995  258.382 10.269 1099.14 30.066 1102.05 22.003 -2.909424      37.25728 
1 1 1 3   27 9  f 236.624 20.297 11.993  2.0142 9.4273  3.1081  13.851  2.6448 206.559 36.885 253.742 24.934 -47.18321      44.52194 
1 1 1 3   27 10 o 730.296 19.854 113.429 6.1405 104.588 8.5136  123.015 8.8648 699.576 28.737 758.979 27.580 -59.40356      39.83046 
1 1 1 3   27 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   27 12 o 326.934 21.041 22.851  2.8978 20.733  4.0099  25.167  4.1924 309.557 31.004 341.705 29.253 -32.14752      42.62650 
1 1 1 3   27 13 o 429.677 20.307 39.302  3.6951 39.927  5.1042  38.614  5.3561 431.145 28.109 423.531 30.057 7.614319       41.15275 
1 1 1 3   27 14 f 759.621 21.029 122.921 6.7650 127.001 9.3401  118.419 9.8117 770.149 28.637 742.907 31.186 27.24176       42.34013 
1 1 1 3   27 15 o 599.249 28.691 77.002  7.2810 77.002  7.2810  0.0000  0.0000 599.249 28.691 ?       ?      0.000000       28.69070 
1 1 1 3   27 16 o 96.691  33.772 1.8117  1.7020 -0.6162 2.3229  4.6263  2.5010 79.801  35.197 143.518 39.774 -63.71684      53.11106 
1 1 1 3   27 17 o 208.131 40.836 9.8075  3.4708 0.0000  0.0000  9.8075  3.4708 ?       ?      208.131 40.836 0.000000       40.83620 
1 1 1 3   27 18 o 510.751 21.326 55.881  4.6128 52.676  6.2434  59.734  6.8451 492.233 30.095 523.873 30.992 -31.63943      43.19980 
1 1 1 3   27 19 f 136.509 35.149 4.2367  2.0442 3.8716  2.6651  4.7584  3.1859 132.453 42.184 145.713 46.092 -13.25998      62.48138 
1 1 1 3   27 20 o 181.115 29.542 7.3115  2.1878 5.4222  2.8719  9.9244  3.3772 153.100 42.689 208.160 39.760 -55.06003      58.33702 
1 1 1 3   27 21 o 250.642 25.226 13.767  2.6413 11.235  3.5440  16.932  3.9614 220.850 39.334 274.293 34.893 -53.44270      52.58006 
1 1 1 3   27 22 o 72.458  30.325 0.2955  1.5604 0.5087  2.0475  -0.0000 2.4099 83.701  34.858 84.960  36.682 -1.259140      50.60272 
1 1 1 3   27 23 o 65.623  28.674 -0.2135 1.5094 -1.0542 1.9713  0.9777  2.3467 68.135  31.031 92.851  37.851 -24.71584      48.94517 
1 1 1 3   27 24 o 135.478 41.664 4.3640  2.6230 4.3640  2.6230  0.0000  0.0000 135.478 41.664 ?       ?      0.000000       41.66423 
1 1 1 3   27 25 o 104.772 37.194 2.3162  2.0708 1.9729  2.7018  2.8050  3.2239 106.378 41.511 119.365 45.672 -12.98615      61.71787 
1 1 1 3   28 0  o 266.020 19.791 15.120  2.2136 11.898  3.3495  17.618  2.9496 233.263 34.987 286.640 24.535 -53.37729      42.73193 
1 1 1 3   28 1  o 510.250 14.337 55.230  3.0981 55.797  5.8837  55.013  3.6442 510.918 27.292 509.062 16.904 1.855957       32.10264 
1 1 1 3   28 2  o 324.321 18.646 22.414  2.5501 0.0000  0.0000  22.414  2.5501 ?       ?      324.321 18.646 0.000000       18.64552 
1 1 1 3   28 3  o 200.665 17.488 8.6140  1.4712 9.3766  2.3473  8.1206  1.8882 207.995 27.308 193.963 23.464 14.03151       36.00403 
1 1 1 3   28 4  o 596.340 14.387 75.442  3.6333 73.617  5.9233  76.543  4.6004 588.131 23.782 600.348 18.095 -12.21661      29.88300 
1 1 1 3   28 5  o 372.346 15.263 29.420  2.4067 27.230  3.8929  30.774  3.0620 356.573 25.958 380.597 18.998 -24.02405      32.16727 
1 1 1 3   28 6  o 442.204 15.214 41.497  2.8490 45.176  4.6457  39.280  3.6069 460.028 23.929 429.895 19.812 30.13312       31.06638 
1 1 1 3   28 7  o 341.896 16.803 24.821  2.4329 30.569  4.0360  21.541  3.0491 377.906 25.366 317.315 22.843 60.59155       34.13552 
1 1 1 3   28 8  o 620.452 16.184 81.740  4.2524 87.549  7.1076  78.502  5.3071 640.682 26.196 607.510 20.628 33.17133       33.34302 
1 1 1 3   28 9  o 837.182 16.730 148.878 5.9313 146.385 9.8641  150.291 7.4233 827.748 28.139 840.406 20.858 -12.65857      35.02662 
1 1 1 3   28 10 o 570.550 19.388 69.241  4.6846 75.174  6.5181  62.903  6.7374 593.436 25.936 541.427 29.495 52.00916       39.27636 
1 1 1 3   28 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   28 12 o 244.510 23.077 12.859  2.3613 14.072  3.2838  11.560  3.3978 254.352 31.136 229.025 36.238 25.32693       47.77716 
1 1 1 3   28 13 o 209.607 25.231 9.5153  2.1947 10.230  3.0051  8.6991  3.2128 215.597 34.044 197.195 39.843 18.40192       52.40616 
1 1 1 3   28 14 o 331.123 30.563 23.729  4.2374 23.729  4.2374  0.0000  0.0000 331.123 30.563 ?       ?      0.000000       30.56295 
1 1 1 3   28 15 o 179.433 39.762 7.2655  2.9420 7.2655  2.9420  0.0000  0.0000 179.433 39.762 ?       ?      0.000000       39.76164 
1 1 1 3   28 16 o 309.581 32.866 20.966  4.2430 0.0000  0.0000  20.966  4.2430 ?       ?      309.581 32.866 0.000000       32.86622 
1 1 1 3   28 17 o 504.093 21.406 54.409  4.5697 55.099  6.2386  53.611  6.7126 504.025 29.355 495.996 32.130 8.029114       43.52032 
1 1 1 3   28 18 o 263.689 33.013 15.380  3.6058 15.380  3.6058  0.0000  0.0000 263.689 33.013 ?       ?      0.000000       33.01306 
1 1 1 3   28 19 o 149.267 31.871 5.0381  1.9534 4.8157  2.5523  5.3525  3.0350 144.940 40.183 152.524 44.338 -7.584259      59.83758 
1 1 1 3   28 20 o 199.219 26.994 8.7689  2.2188 8.9837  2.9357  8.4828  3.3884 198.600 36.241 190.486 43.020 8.113892       56.25060 
1 1 1 3   28 21 o 116.039 34.395 3.0577  1.8110 3.4178  2.2760  2.4363  2.9900 123.075 38.960 115.982 44.078 7.093208       58.82795 
1 1 1 3   28 22 o 161.920 31.359 5.9869  2.0726 7.8225  2.6076  2.8373  3.4156 184.376 34.668 123.197 47.041 61.17890       58.43582 
1 1 1 3   28 23 o 299.490 24.352 19.732  3.0618 23.742  4.0460  14.359  4.6839 325.855 29.644 242.867 47.241 82.98810       55.77155 
1 1 1 3   28 24 o 297.918 33.542 20.335  4.1582 20.335  4.1582  0.0000  0.0000 297.918 33.542 ?       ?      0.000000       33.54165 
1 1 1 3   28 25 o 80.477  36.847 -1.4075 2.8277 0.0000  0.0000  -1.4075 2.8277 ?       ?      80.477  36.847 0.000000       36.84723 
1 1 1 3   29 0  o 313.808 13.916 20.889  1.8494 19.513  2.9863  21.745  2.3554 301.894 23.544 319.535 17.473 -17.64124      29.31948 
1 1 1 3   29 1  o 342.577 13.811 24.894  2.0036 25.293  3.2853  24.658  2.5282 344.057 22.675 340.309 17.603 3.747650       28.70576 
1 1 1 3   29 2  o 819.407 12.936 142.393 4.4888 145.436 6.3534  139.361 6.3430 827.495 18.130 809.977 18.492 17.51837       25.89666 
1 1 1 3   29 3  o 337.575 14.608 24.178  2.0883 21.440  3.3455  25.927  2.6730 316.271 25.187 348.907 18.153 -32.63599      31.04700 
1 1 1 3   29 4  o 604.298 14.528 77.482  3.7180 74.750  6.0223  79.165  4.7263 592.506 24.001 610.462 18.282 -17.95563      30.17060 
1 1 1 3   29 5  o 378.556 15.106 30.413  2.4218 28.475  3.9090  31.620  3.0852 364.666 25.472 385.749 18.886 -21.08325      31.70957 
1 1 1 3   29 6  o 469.412 15.222 46.770  3.0260 46.993  4.8963  46.632  3.8491 468.969 24.741 468.368 19.406 0.6015320      31.44374 
1 1 1 3   29 7  o 210.234 20.039 9.4842  1.7625 13.057  2.8041  7.1508  2.2661 245.831 27.401 180.391 30.767 65.43913       41.20010 
1 1 1 3   29 8  o 104.434 31.420 2.3564  1.5029 1.7637  2.4630  2.7081  1.8970 105.918 40.064 112.908 35.550 -6.989822      53.56256 
1 1 1 3   29 9  o 998.115 17.446 211.737 7.3745 219.278 12.382  207.592 9.1802 1012.46 28.879 987.222 21.958 25.23425       36.27868 
1 1 1 3   29 10 o 454.553 16.666 43.907  3.2083 49.489  5.1429  40.351  4.1050 480.806 25.347 434.568 22.381 46.23782       33.81430 
1 1 1 3   29 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   29 12 o 554.102 19.719 65.360  4.6272 60.533  6.3907  70.680  6.7087 530.966 28.525 574.750 27.562 -43.78473      39.66583 
1 1 1 3   29 13 o 328.737 29.552 23.355  4.0702 23.355  4.0702  0.0000  0.0000 328.737 29.552 ?       ?      0.000000       29.55190 
1 1 1 3   29 14 o 120.288 40.965 2.9329  2.4984 2.9329  2.4984  0.0000  0.0000 120.288 40.965 ?       ?      0.000000       40.96460 
1 1 1 3   29 15 o 220.306 38.925 10.871  3.4987 0.0000  0.0000  10.871  3.4987 ?       ?      220.306 38.925 0.000000       38.92453 
1 1 1 3   29 16 o 134.407 43.749 3.9044  2.8556 0.0000  0.0000  3.9044  2.8556 ?       ?      134.407 43.749 0.000000       43.74899 
1 1 1 3   29 17 o 565.755 21.265 68.599  5.0949 70.836  6.9981  66.076  7.4321 571.271 29.022 550.222 32.034 21.04883       43.22562 
1 1 1 3   29 18 o 375.792 22.098 30.439  3.5014 30.836  4.7107  29.948  5.2338 375.551 29.866 368.397 33.929 7.154144       45.20119 
1 1 1 3   29 19 o 232.222 25.444 11.797  2.4613 8.3551  3.2483  16.438  3.7716 189.883 41.550 271.722 33.485 -81.83914      53.36308 
1 1 1 3   29 20 o 204.259 36.078 9.5344  3.0067 9.5344  3.0067  0.0000  0.0000 204.259 36.078 ?       ?      0.000000       36.07769 
1 1 1 3   29 21 o 81.832  32.116 0.9537  1.6245 0.2452  2.1785  1.8412  2.4383 83.203  35.376 103.594 39.700 -20.39117      53.17469 
1 1 1 3   29 22 o 272.150 25.124 16.315  2.8630 16.926  3.8449  15.554  4.2892 273.017 33.990 257.981 40.601 15.03522       52.95067 
1 1 1 3   29 23 o 216.529 36.392 10.943  3.2187 10.943  3.2187  0.0000  0.0000 216.529 36.392 ?       ?      0.000000       36.39247 
1 1 1 3   29 24 o 140.557 35.723 4.7024  2.1309 5.9143  2.8081  3.0572  3.2718 155.496 41.760 121.903 46.161 33.59262       62.24702 
1 1 1 3   30 0  o 228.934 14.718 11.167  1.4194 9.8844  1.9813  12.519  2.0344 214.418 22.138 241.857 20.043 -27.43930      29.86298 
1 1 1 3   30 1  o 203.430 15.052 8.8302  1.2875 7.4769  1.9051  9.9681  1.7469 185.729 24.844 215.717 19.327 -29.98782      31.47622 
1 1 1 3   30 2  o 377.324 12.708 30.196  2.0306 33.973  2.9044  26.584  2.8401 399.965 17.147 353.171 19.060 46.79343       25.63812 
1 1 1 3   30 3  f 208.084 17.306 9.2593  1.5112 5.6274  2.4119  11.607  1.9390 158.835 36.608 232.820 19.856 -73.98479      41.64645 
1 1 1 3   30 4  o 223.986 17.405 10.721  1.6380 11.738  2.5785  10.032  2.1209 233.107 26.596 215.774 23.595 17.33340       35.55365 
1 1 1 3   30 5  o 208.962 19.147 9.3597  1.6756 10.423  2.6551  8.6560  2.1600 218.941 29.377 199.781 26.159 19.16020       39.33566 
1 1 1 3   30 6  o 273.243 17.439 15.928  2.0074 15.540  3.1644  16.189  2.5968 268.237 28.283 274.810 22.511 -6.573730      36.14780 
1 1 1 3   30 7  o 449.194 15.798 42.853  3.0053 43.929  4.8418  42.179  3.8331 453.041 25.338 445.211 20.330 7.830322       32.48592 
1 1 1 3   30 8  o 266.182 19.280 15.151  2.1586 16.112  3.4454  14.530  2.7696 272.640 30.356 259.671 25.515 12.96948       39.65452 
1 1 1 3   30 9  o 655.674 16.419 91.355  4.5590 87.949  7.4921  93.357  5.7451 641.270 27.588 662.167 20.487 -20.89673      34.36290 
1 1 1 3   30 10 o 583.779 19.584 72.541  4.8418 78.535  6.8338  66.500  6.8608 606.077 26.625 556.424 29.218 49.65314       39.52948 
1 1 1 3   30 11 o 513.532 28.460 56.641  6.1652 0.0000  0.0000  56.641  6.1652 ?       ?      513.532 28.460 0.000000       28.46035 
1 1 1 3   30 12 o 168.280 38.567 6.3634  2.6896 6.3634  2.6896  0.0000  0.0000 168.280 38.567 ?       ?      0.000000       38.56683 
1 1 1 3   30 13 o 1098.47 31.209 259.556 14.518 259.556 14.518  0.0000  0.0000 1098.47 31.209 ?       ?      0.000000       31.20883 
1 1 1 3   30 14 o 425.510 29.942 39.176  5.3611 0.0000  0.0000  39.176  5.3611 ?       ?      425.510 29.942 0.000000       29.94186 
1 1 1 3   30 15 o 536.611 29.912 62.383  6.7705 0.0000  0.0000  62.383  6.7705 ?       ?      536.611 29.912 0.000000       29.91231 
1 1 1 3   30 16 o 597.561 21.075 76.483  5.3333 73.813  7.3714  79.416  7.7258 582.938 29.961 605.310 30.138 -22.37195      42.49682 
1 1 1 3   30 17 o 208.245 25.878 9.4966  2.2330 7.9026  3.0528  11.331  3.2748 185.646 40.009 224.759 35.591 -39.11243      53.54815 
1 1 1 3   30 18 o 280.014 22.620 16.981  2.6595 16.064  3.5710  18.123  3.9852 269.342 31.929 285.659 33.583 -16.31613      46.33878 
1 1 1 3   30 19 o 194.855 26.818 8.3975  2.1544 3.7210  2.9968  13.399  3.0993 131.159 44.864 245.639 30.446 -114.4795      54.21893 
1 1 1 3   30 20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 3   30 21 o 181.057 27.935 7.3586  2.0730 4.9507  2.7643  10.453  3.1336 144.607 42.394 212.989 36.026 -68.38187      55.63383 
1 1 1 3   30 22 o 201.705 27.924 9.1381  2.3213 9.6583  2.9648  8.3143  3.7314 204.036 35.607 183.397 47.621 20.63876       59.46125 
1 1 1 3   30 23 f 159.884 42.638 6.2712  2.9400 6.2712  2.9400  0.0000  0.0000 159.884 42.638 ?       ?      0.000000       42.63795 
1 1 1 3   30 24 o 115.865 43.671 2.7349  2.9198 0.0000  0.0000  2.7349  2.9198 ?       ?      115.865 43.671 0.000000       43.67093 
1 1 1 3   31 0  o 353.048 12.993 26.440  1.9426 22.289  2.7289  30.704  2.7659 323.139 20.041 380.201 17.178 -57.06274      26.39539 
1 1 1 3   31 1  o 198.801 15.421 8.4400  1.2881 8.9570  1.9042  8.0039  1.7490 203.913 22.421 192.717 21.815 11.19632       31.28237 
1 1 1 3   31 2  o 347.332 13.063 25.592  1.9214 25.083  2.7932  26.050  2.6472 342.939 19.311 349.683 17.936 -6.744324      26.35616 
1 1 1 3   31 3  o 731.361 12.974 113.473 4.0184 114.221 5.6946  112.731 5.6713 733.081 18.343 728.277 18.388 4.803589       25.97284 
1 1 1 3   31 4  o 214.079 17.542 9.8033  1.5764 10.426  2.5312  9.4086  2.0149 219.201 27.899 208.889 23.167 10.31189       36.26408 
1 1 1 3   31 5  o 344.992 15.762 25.277  2.3028 24.234  3.6239  25.983  2.9823 336.021 25.660 348.859 20.274 -12.83810      32.70315 
1 1 1 3   31 6  o 130.301 26.974 3.7598  1.4395 3.3179  2.4639  3.9888  1.7736 125.578 40.620 133.766 31.779 -8.188187      51.57451 
1 1 1 3   31 7  o 425.952 15.917 38.545  2.8712 37.668  4.6801  39.074  3.6358 419.043 26.509 428.454 20.038 -9.411255      33.23022 
1 1 1 3   31 8  o 510.886 15.996 55.458  3.4608 49.572  5.5382  59.230  4.4330 480.668 27.320 527.480 19.845 -46.81152      33.76678 
1 1 1 3   31 9  o 208.254 24.828 9.3905  2.1465 11.691  3.1316  7.3514  2.9481 231.011 32.943 180.975 39.569 50.03592       51.48754 
1 1 1 3   31 10 o 578.046 19.461 71.136  4.7641 72.404  6.6534  69.802  6.8247 581.722 27.008 570.903 28.228 10.81940       39.06672 
1 1 1 3   31 11 o 195.586 62.124 8.5215  5.7831 0.0000  0.0000  8.5215  5.7831 ?       ?      195.586 62.124 0.000000       62.12378 
1 1 1 3   31 12 o 411.004 21.986 36.149  3.8130 32.132  4.8249  42.832  6.2228 385.689 29.770 444.607 33.291 -58.91843      44.66034 
1 1 1 3   31 13 o 156.014 40.941 5.5067  2.7390 0.0000  0.0000  5.5067  2.7390 ?       ?      156.014 40.941 0.000000       40.94058 
1 1 1 3   31 14 o 197.943 41.032 8.8921  3.3266 0.0000  0.0000  8.8921  3.3266 ?       ?      197.943 41.032 0.000000       41.03182 
1 1 1 3   31 15 o 277.549 22.806 16.633  2.6569 13.689  3.6019  20.147  3.9350 248.150 35.267 303.304 31.074 -55.15376      47.00395 
1 1 1 3   31 16 o 198.510 27.267 8.6700  2.2318 9.8032  2.9295  7.1027  3.4452 209.225 34.248 174.745 45.946 34.47968       57.30554 
1 1 1 3   31 17 o 346.647 21.959 25.931  3.2069 25.406  4.3423  26.560  4.7565 340.188 30.463 346.945 32.761 -6.756683      44.73608 
1 1 1 3   31 18 o 82.129  32.090 0.9488  1.6163 1.8272  2.1197  -0.2712 2.4981 100.697 37.355 84.781  36.971 15.91574       52.55661 
1 1 1 3   31 19 o 214.438 26.004 10.150  2.3132 9.4093  3.0300  11.186  3.5816 202.414 36.699 219.674 39.972 -17.25975      54.26331 
1 1 1 3   31 20 f 195.594 26.979 8.5312  2.1752 8.2182  2.8821  8.9455  3.3158 187.758 37.558 194.303 41.554 -6.545151      56.01233 
1 1 1 3   31 21 o 188.859 28.830 8.0408  2.2327 9.6638  2.8742  5.5711  3.5456 205.025 34.316 152.174 48.676 52.85080       59.55593 
1 1 1 3   31 22 o 131.940 42.652 4.1099  2.7169 4.1099  2.7169  0.0000  0.0000 131.940 42.652 ?       ?      0.000000       42.65237 
1 1 1 3   31 23 o 206.241 26.149 9.5593  2.2326 9.2155  2.9948  9.9893  3.3496 196.886 37.283 203.406 40.310 -6.520416      54.90860 
1 1 1 3   32 0  o 238.827 15.746 12.165  1.5836 12.407  2.2720  11.936  2.2085 240.303 22.590 235.690 22.396 4.613602       31.81045 
1 1 1 3   32 1  o 203.674 15.219 8.8567  1.3032 9.1355  1.9738  8.6412  1.7351 205.805 23.042 200.448 20.740 5.356979       31.00145 
1 1 1 3   32 2  o 205.561 16.282 9.0317  1.4058 9.6997  2.0742  8.4641  1.9119 212.051 23.492 197.957 23.249 14.09401       33.05140 
1 1 1 3   32 3  o 365.779 13.730 28.396  2.1269 29.605  3.0841  27.300  2.9369 372.521 19.619 357.710 19.461 14.81049       27.63359 
1 1 1 3   32 4  o 356.156 15.459 26.941  2.3316 24.585  3.7616  28.411  2.9713 338.227 26.473 364.933 19.294 -26.70599      32.75787 
1 1 1 3   32 5  o 260.402 17.618 14.482  1.9315 14.322  3.0113  14.594  2.5176 257.262 28.097 260.624 23.048 -3.362305      36.34049 
1 1 1 3   32 6  o 619.331 15.137 81.472  3.9701 81.165  6.3800  81.666  5.0716 616.629 24.432 619.462 19.333 -2.832764      31.15542 
1 1 1 3   32 7  o 263.399 17.894 14.824  1.9842 16.775  3.1879  13.590  2.5350 278.706 27.362 251.188 24.128 27.51794       36.48071 
1 1 1 3   32 8  o 531.049 18.753 60.019  4.2175 62.098  5.7888  57.666  6.1572 539.042 25.358 518.156 28.165 20.88654       37.89900 
1 1 1 3   32 9  f 497.727 18.990 52.734  4.0028 53.946  5.5816  51.452  5.7434 501.512 26.373 489.393 27.827 12.11847       38.33909 
1 1 1 3   32 10 o 497.361 21.234 52.739  4.4725 53.639  5.7296  51.334  7.1555 499.790 27.172 486.685 34.950 13.10486       44.27019 
1 1 1 3   32 11 o 555.612 16.812 65.669  3.9559 70.245  6.5435  63.033  4.9662 572.572 26.986 543.539 21.575 29.03357       34.55003 
1 1 1 3   32 12 o 362.608 23.511 28.240  3.5909 0.0000  0.0000  28.240  3.5909 ?       ?      362.608 23.511 0.000000       23.51104 
1 1 1 3   32 13 o 487.336 22.865 50.855  4.7189 0.0000  0.0000  50.855  4.7189 ?       ?      487.336 22.865 0.000000       22.86461 
1 1 1 3   32 14 o 303.327 21.636 19.805  2.7610 21.474  3.8282  17.997  3.9859 313.895 29.130 285.758 33.577 28.13736       44.45176 
1 1 1 3   32 15 o 355.128 22.078 27.172  3.3040 25.694  4.6321  28.703  4.7141 341.927 32.375 362.059 31.045 -20.13120      44.85448 
1 1 1 3   32 16 o 230.198 26.584 11.610  2.5440 10.227  3.2954  13.650  4.0021 212.183 38.073 245.165 39.920 -32.98111      55.16488 
1 1 1 3   32 17 o 254.554 23.775 14.102  2.5333 15.252  3.3953  12.657  3.8047 262.379 31.166 235.528 39.547 26.85056       50.35149 
1 1 1 3   32 18 o 243.300 24.680 12.962  2.5077 14.933  3.3957  10.597  3.7193 258.725 31.652 212.876 42.741 45.84915       53.18523 
1 1 1 3   32 19 o 290.164 23.410 18.406  2.8522 15.898  3.8751  21.370  4.2133 264.189 35.537 308.369 32.765 -44.18048      48.33670 
1 1 1 3   32 20 o 245.678 25.227 13.331  2.5874 12.944  3.4971  13.798  3.8460 237.214 35.937 243.654 38.556 -6.440079      52.70703 
1 1 1 3   32 21 o 434.034 29.975 42.148  5.4758 42.148  5.4758  0.0000  0.0000 434.034 29.975 ?       ?      0.000000       29.97454 
1 1 1 3   32 22 o 113.153 39.583 2.8286  2.3386 2.8286  2.3386  0.0000  0.0000 113.153 39.583 ?       ?      0.000000       39.58336 
1 1 1 3   32 23 o 244.562 40.846 14.425  4.0811 0.0000  0.0000  14.425  4.0811 ?       ?      244.562 40.846 0.000000       40.84550 
1 1 1 3   33 0  f 423.393 15.137 38.071  2.7141 41.592  3.3263  31.054  4.6950 442.296 17.758 379.733 29.425 62.56317       34.36841 
1 1 1 3   33 1  o 330.467 13.755 23.182  1.9250 19.136  2.6813  27.486  2.7655 298.983 21.316 359.046 18.248 -60.06299      28.05967 
1 1 1 3   33 2  o 221.292 15.780 10.456  1.4691 9.2801  2.1583  11.471  2.0054 206.997 25.136 231.184 20.703 -24.18774      32.56421 
1 1 1 3   33 3  o 727.034 13.162 112.187 4.0524 111.925 5.7848  112.440 5.6785 725.293 18.834 727.031 18.443 -1.738037      26.36007 
1 1 1 3   33 4  o 591.233 14.455 74.232  3.6193 76.331  5.8149  72.904  4.6243 598.221 22.953 585.359 18.654 12.86255       29.57712 
1 1 1 3   33 5  o 224.831 18.962 10.834  1.7886 6.9593  2.7401  13.710  2.3610 176.266 37.839 252.602 22.300 -76.33644      43.92114 
1 1 1 3   33 6  o 167.517 24.259 6.1142  1.6709 5.4838  2.5859  6.5660  2.1892 156.185 39.166 172.330 31.144 -16.14540      50.03945 
1 1 1 3   33 7  o 513.503 18.491 56.119  4.0210 56.828  5.4682  55.285  5.9334 515.642 25.041 507.337 27.721 8.304718       37.35657 
1 1 1 3   33 8  o 655.631 19.509 91.545  5.4167 90.606  7.1514  92.808  8.2961 650.826 25.947 657.628 29.789 -6.801575      39.50444 
1 1 1 3   33 9  o 422.318 21.372 38.131  3.8099 35.836  4.8198  41.953  6.2202 407.947 28.069 440.017 33.635 -32.06961      43.80887 
1 1 1 3   33 10 o 96.624  37.284 1.3543  2.1608 0.6584  2.5690  3.0372  3.9950 95.386  39.326 134.866 51.023 -39.47980      64.41912 
1 1 1 3   33 11 o 497.420 21.119 52.827  4.4489 0.0000  0.0000  52.827  4.4489 ?       ?      497.420 21.119 0.000000       21.11936 
1 1 1 3   33 12 o 357.747 24.334 27.566  3.6648 0.0000  0.0000  27.566  3.6648 ?       ?      357.747 24.334 0.000000       24.33415 
1 1 1 3   33 13 o 324.309 19.585 22.562  2.6773 18.708  3.8640  26.120  3.7129 292.025 31.757 347.570 25.401 -55.54517      40.66579 
1 1 1 3   33 14 o 217.115 22.884 10.235  2.0724 11.686  3.2603  9.2509  2.6844 228.763 34.746 203.824 32.167 24.93913       47.34975 
1 1 1 3   33 15 o 360.154 22.106 27.984  3.3554 29.874  4.7779  26.144  4.7133 369.003 30.858 344.291 32.719 24.71133       44.97535 
1 1 1 3   33 16 f 204.806 26.378 9.2297  2.2347 12.214  2.8174  4.1681  3.6694 235.246 28.887 140.481 49.550 94.76480       57.35614 
1 1 1 3   33 17 f 126.568 33.361 3.6634  1.8135 1.3309  2.4057  6.7333  2.7599 98.229  38.912 170.286 39.097 -72.05710      55.16112 
1 1 1 3   33 18 o 191.986 26.108 8.1810  2.0677 6.4342  2.7099  10.615  3.1988 165.512 39.255 214.988 36.436 -49.47530      53.55883 
1 1 1 3   33 19 o 252.507 23.828 14.013  2.5179 11.451  3.3307  17.430  3.8463 222.554 36.613 277.267 33.432 -54.71300      49.57970 
1 1 1 3   33 20 o 175.648 28.508 6.9797  2.0479 8.6165  2.7175  4.8287  3.1154 192.987 34.518 142.467 45.633 50.52011       57.21804 
1 1 1 3   33 21 o 281.973 33.159 18.232  3.8840 18.232  3.8840  0.0000  0.0000 281.973 33.159 ?       ?      0.000000       33.15902 
1 1 1 3   33 22 o 213.834 44.831 11.373  3.9300 0.0000  0.0000  11.373  3.9300 ?       ?      213.834 44.831 0.000000       44.83065 
1 1 1 3   33 23 f 239.052 40.297 13.786  3.9345 0.0000  0.0000  13.786  3.9345 ?       ?      239.052 40.297 0.000000       40.29728 
1 1 1 3   34 0  o 131.298 26.088 3.8128  1.3995 2.9492  2.0369  4.5849  1.9260 117.375 36.818 143.297 32.487 -25.92204      49.10170 
1 1 1 3   34 1  o 405.245 13.196 34.860  2.2647 35.984  3.1658  33.683  3.2411 411.265 18.177 397.783 19.240 13.48203       26.46838 
1 1 1 3   34 2  o 680.440 12.793 98.271  3.6864 105.616 5.3358  91.562  5.0990 704.617 17.882 655.983 18.355 48.63428       25.62517 
1 1 1 3   34 3  o 463.162 13.155 45.539  2.5803 44.592  3.6946  46.441  3.6053 457.679 19.062 467.181 18.223 -9.501678      26.37086 
1 1 1 3   34 4  o 396.874 15.448 33.471  2.5964 33.402  4.1300  33.517  3.3387 394.587 24.842 396.177 19.964 -1.589661      31.86948 
1 1 1 3   34 5  o 302.201 19.382 19.527  2.4675 18.175  3.3394  21.153  3.6620 290.046 27.516 313.010 27.919 -22.96408      39.19918 
1 1 1 3   34 6  o 455.917 24.353 44.540  4.6850 44.540  4.6850  0.0000  0.0000 455.917 24.353 ?       ?      0.000000       24.35300 
1 1 1 3   34 7  o 263.711 23.950 14.977  2.6456 16.827  3.2470  11.324  4.5630 278.866 27.867 222.889 49.618 55.97755       56.90797 
1 1 1 3   34 8  o 431.241 16.122 39.544  2.9443 42.691  4.7596  37.594  3.7473 446.004 25.303 419.310 21.171 26.69452       32.99199 
1 1 1 3   34 9  f 395.505 20.923 33.464  3.4919 0.0000  0.0000  33.464  3.4919 ?       ?      395.505 20.923 0.000000       20.92258 
1 1 1 3   34 10 o 111.658 46.476 0.8120  3.6370 0.0000  0.0000  0.8120  3.6370 ?       ?      111.658 46.476 0.000000       46.47609 
1 1 1 3   34 11 o 217.004 24.030 10.215  2.1713 11.640  3.2997  9.1265  2.8835 228.977 35.152 202.287 34.921 26.68959       49.54936 
1 1 1 3   34 12 o 416.482 18.191 37.031  3.2084 31.697  5.0132  40.731  4.1755 381.088 31.341 435.229 22.733 -54.14151      38.71745 
1 1 1 3   34 13 o 507.009 17.744 54.912  3.8098 53.353  6.0842  55.917  4.8864 495.302 29.134 510.237 22.614 -14.93521      36.88089 
1 1 1 3   34 14 o 350.534 19.559 26.408  2.8919 23.334  4.4935  28.581  3.7783 324.935 33.118 363.149 24.715 -38.21417      41.32348 
1 1 1 3   34 15 o 289.567 20.723 18.102  2.5245 15.543  3.9950  19.803  3.2572 262.710 36.928 301.401 25.766 -38.69070      45.02843 
1 1 1 3   34 16 o 294.450 23.079 18.833  2.8548 16.860  3.7013  21.730  4.4854 275.146 32.385 311.794 34.551 -36.64828      47.35542 
1 1 1 3   34 17 o 214.694 27.094 10.217  2.4085 10.036  2.9674  10.566  4.1232 209.925 34.583 209.669 47.532 0.2558899      58.78196 
1 1 1 3   34 18 o 163.636 28.621 6.0590  1.9112 5.3033  2.5154  7.0910  2.9395 149.686 39.213 172.614 40.848 -22.92741      56.62308 
1 1 1 3   34 19 o 125.311 32.499 3.6481  1.7392 4.2938  2.3486  2.8640  2.5881 134.882 38.943 116.325 41.551 18.55711       56.94801 
1 1 1 3   34 20 o 182.531 38.138 7.9170  2.8531 7.9170  2.8531  0.0000  0.0000 182.531 38.138 ?       ?      0.000000       38.13826 
1 1 1 3   34 21 o 260.317 38.288 16.079  4.0948 0.0000  0.0000  16.079  4.0948 ?       ?      260.317 38.288 0.000000       38.28801 
1 1 1 3   34 22 o 251.665 41.167 15.371  4.2358 0.0000  0.0000  15.371  4.2358 ?       ?      251.665 41.167 0.000000       41.16714 
1 1 1 3   35 0  o 237.684 16.867 12.075  1.6867 9.8190  2.4508  14.104  2.3249 212.303 27.937 256.271 21.624 -43.96793      35.32870 
1 1 1 3   35 1  o 58.082  26.342 -0.8083 1.4017 0.2980  1.8281  -2.3866 2.1835 78.923  32.909 64.934  30.606 13.98926       44.94160 
1 1 1 3   35 2  o 675.703 13.037 96.935  3.7306 102.209 5.3720  92.022  5.1848 692.947 18.306 657.448 18.622 35.49921       26.11289 
1 1 1 3   35 3  o 420.016 15.895 37.504  2.8273 40.612  3.5089  31.752  4.7738 436.702 18.973 383.487 29.624 53.21484       35.17924 
1 1 1 3   35 4  o 527.727 23.392 59.485  5.2277 59.485  5.2277  0.0000  0.0000 527.727 23.392 ?       ?      0.000000       23.39162 
1 1 1 3   35 5  o 140.155 39.193 4.3858  2.4171 4.3858  2.4171  0.0000  0.0000 140.155 39.193 ?       ?      0.000000       39.19299 
1 1 1 3   35 6  f 330.656 16.506 23.254  2.3114 23.691  3.5746  22.941  3.0301 331.746 25.642 327.132 22.000 4.613922       33.78649 
1 1 1 3   35 7  o 374.920 21.450 30.092  3.3916 0.0000  0.0000  30.092  3.3916 ?       ?      374.920 21.450 0.000000       21.44983 
1 1 1 3   35 8  o 410.750 22.584 36.159  3.9134 0.0000  0.0000  36.159  3.9134 ?       ?      410.750 22.584 0.000000       22.58390 
1 1 1 3   35 9  o 342.824 24.043 25.291  3.4685 0.0000  0.0000  25.291  3.4685 ?       ?      342.824 24.043 0.000000       24.04263 
1 1 1 3   35 10 o 325.193 37.627 23.375  5.0862 0.0000  0.0000  23.375  5.0862 ?       ?      325.193 37.627 0.000000       37.62741 
1 1 1 3   35 11 o 282.598 20.271 17.171  2.4098 14.433  3.6442  19.299  3.2125 255.128 34.623 298.374 25.674 -43.24551      43.10341 
1 1 1 3   35 12 o 445.858 17.422 42.455  3.2895 45.332  5.2454  40.590  4.2233 457.156 27.217 433.983 23.062 23.17352       35.67351 
1 1 1 3   35 13 f 259.678 21.731 14.587  2.3678 16.527  3.6985  13.240  3.0823 273.096 32.625 244.820 30.383 28.27600       44.58142 
1 1 1 3   35 14 o 275.468 21.440 16.415  2.4814 19.867  3.8708  14.006  3.2332 300.003 30.910 251.363 31.032 48.64020       43.79953 
1 1 1 3   35 15 o 254.855 30.116 14.393  3.1876 0.0000  0.0000  14.393  3.1876 ?       ?      254.855 30.116 0.000000       30.11608 
1 1 1 3   35 16 o 142.687 32.006 4.6617  1.8864 3.2805  2.2226  8.2195  3.5671 121.017 38.521 185.541 45.698 -64.52386      59.76751 
1 1 1 3   35 17 o 119.079 34.204 3.2646  1.8160 2.6989  2.2210  4.4052  3.1540 112.131 38.612 138.257 46.026 -26.12622      60.07740 
1 1 1 3   35 18 o 138.493 31.156 4.4335  1.7831 5.1002  2.3650  3.5554  2.7141 146.729 37.821 125.583 42.697 21.14594       57.03903 
1 1 1 3   35 19 o 103.377 37.604 2.1543  2.1314 2.1543  2.1314  0.0000  0.0000 103.377 37.604 ?       ?      0.000000       37.60423 
1 1 1 3   35 20 o 202.232 26.791 9.2247  2.2380 9.1500  2.9567  9.3249  3.4245 196.316 36.919 194.888 42.675 1.428665       56.42880 
1 1 1 3   35 21 o 339.497 35.478 26.963  5.0255 0.0000  0.0000  26.963  5.0255 ?       ?      339.497 35.478 0.000000       35.47818 
1 1 1 3   35 22 o 230.859 26.093 12.009  2.5062 9.5046  3.2911  15.466  3.8667 196.779 40.831 255.299 36.829 -58.51982      54.98671 
1 1 1 3   36 0  o 252.188 20.195 13.643  2.1387 13.938  2.5208  12.884  4.0405 254.315 23.678 240.219 41.201 14.09616       47.52069 
1 1 1 3   36 1  o 412.509 16.933 36.202  2.9580 37.120  3.5961  34.281  5.2015 417.269 20.351 398.037 31.104 19.23245       37.17033 
1 1 1 3   36 2  o 427.715 19.375 38.978  3.5095 38.978  3.5095  0.0000  0.0000 427.715 19.375 ?       ?      0.000000       19.37535 
1 1 1 3   36 3  o 528.636 23.467 59.718  5.2535 59.718  5.2535  0.0000  0.0000 528.636 23.467 ?       ?      0.000000       23.46669 
1 1 1 3   36 4  o 113.501 28.714 2.8721  1.3812 2.1688  2.0083  3.5033  1.9027 105.391 36.692 125.432 34.665 -20.04121      50.47723 
1 1 1 3   36 5  o 350.314 20.456 26.261  3.0215 0.0000  0.0000  26.261  3.0215 ?       ?      350.314 20.456 0.000000       20.45585 
1 1 1 3   36 6  o 518.536 20.518 57.365  4.5057 0.0000  0.0000  57.365  4.5057 ?       ?      518.536 20.518 0.000000       20.51815 
1 1 1 3   36 7  o 205.910 34.893 9.4224  2.9340 0.0000  0.0000  9.4224  2.9340 ?       ?      205.910 34.893 0.000000       34.89289 
1 1 1 3   36 8  o 387.102 17.168 31.926  2.8144 33.713  4.2242  30.499  3.7741 395.582 25.348 376.569 23.788 19.01282       34.76254 
1 1 1 3   36 9  o 365.723 17.959 28.535  2.7816 22.982  4.1529  33.053  3.7460 324.586 30.572 392.117 22.655 -67.53168      38.05092 
1 1 1 3   36 10 o 214.620 47.535 10.685  4.2066 0.0000  0.0000  10.685  4.2066 ?       ?      214.620 47.535 0.000000       47.53508 
1 1 1 3   36 11 o 173.623 26.933 6.6603  1.9161 8.9634  2.9418  4.9631  2.5253 199.224 36.201 147.229 39.627 51.99483       53.67343 
1 1 1 3   36 12 o 192.613 26.054 8.1615  2.0707 3.2810  3.1943  11.699  2.7194 128.170 46.121 230.474 28.467 -102.3044      54.19897 
1 1 1 3   36 13 o 338.187 19.147 24.602  2.7309 23.211  4.2858  25.553  3.5434 324.110 31.628 342.976 24.558 -18.86609      40.04279 
1 1 1 3   36 14 o 139.247 32.273 4.4260  1.8659 4.4242  2.8693  4.4273  2.4562 139.345 43.696 138.629 39.768 0.7156219      59.08358 
1 1 1 3   36 15 o 338.465 21.746 24.835  3.1006 23.664  4.4048  25.985  4.3652 325.815 32.351 342.522 30.410 -16.70642      44.39989 
1 1 1 3   36 16 o 120.551 32.580 3.3483  1.7028 4.7653  2.1837  1.1499  2.7200 142.819 36.090 99.650  40.702 43.16908       54.39772 
1 1 1 3   36 17 o 46.607  22.422 -1.8692 1.3012 -1.3648 1.6117  -2.8133 2.2049 57.818  26.941 61.781  29.581 -3.962353      40.01108 
1 1 1 3   36 18 o 70.936  31.850 -0.7012 1.9908 -0.7012 1.9908  0.0000  0.0000 70.936  31.850 ?       ?      0.000000       31.85032 
1 1 1 3   36 19 o 153.383 30.421 5.4466  1.9062 4.5728  2.5197  6.6161  2.9150 137.603 40.513 164.359 41.787 -26.75607      58.20166 
1 1 1 3   36 20 f 151.161 43.832 5.7305  2.9695 0.0000  0.0000  5.7305  2.9695 ?       ?      151.161 43.832 0.000000       43.83203 
1 1 1 3   36 21 f 420.190 21.896 38.918  3.8828 33.545  5.1440  46.034  5.9194 381.477 32.141 448.006 31.398 -66.52887      44.93180 
1 1 1 3   37 0  o 481.486 19.121 49.403  3.8988 36.998  6.0460  58.235  5.1012 412.227 34.962 521.995 23.076 -109.7679      41.89111 
1 1 1 3   37 1  o 336.492 21.905 24.277  3.1045 22.061  5.0881  25.592  3.9185 316.453 38.779 344.411 27.084 -27.95856      47.30033 
1 1 1 3   37 2  o 1002.99 16.847 214.088 7.1558 212.569 13.545  214.676 8.4280 992.844 32.214 1003.40 19.834 -10.55676      37.83053 
1 1 1 3   37 3  o 272.627 23.191 16.002  2.6521 0.0000  0.0000  16.002  2.6521 ?       ?      272.627 23.191 0.000000       23.19076 
1 1 1 3   37 4  o 885.281 19.589 167.130 7.3440 0.0000  0.0000  167.130 7.3440 ?       ?      885.281 19.589 0.000000       19.58887 
1 1 1 3   37 5  o 166.607 26.407 6.0970  1.8011 2.8151  2.5341  9.4474  2.5603 118.809 41.224 207.394 30.025 -88.58489      50.99944 
1 1 1 3   37 6  o 428.029 16.084 39.001  2.9155 36.884  4.4254  40.625  3.8755 413.871 25.371 436.035 20.987 -22.16501      32.92677 
1 1 1 3   37 7  o 424.590 16.242 38.399  2.9205 37.595  4.4125  39.026  3.8960 417.708 25.060 426.536 21.639 -8.827728      33.10991 
1 1 1 3   37 8  o 303.181 19.283 19.720  2.4630 14.953  3.7476  23.344  3.2679 259.725 34.959 328.956 23.615 -69.23013      42.18801 
1 1 1 3   37 9  o 200.599 30.664 8.9233  2.5223 6.9253  3.3117  11.683  3.8922 172.952 44.841 226.271 42.170 -53.31824      61.55516 
1 1 1 3   37 10 o 465.149 21.723 46.464  4.2790 0.0000  0.0000  46.464  4.2790 ?       ?      465.149 21.723 0.000000       21.72256 
1 1 1 3   37 11 o 306.881 19.016 20.253  2.4591 18.750  3.9046  21.241  3.1659 291.049 32.219 312.882 24.078 -21.83286      40.22205 
1 1 1 3   37 12 o 284.464 20.219 17.467  2.4198 16.729  3.6655  18.038  3.2216 274.409 32.152 287.061 26.811 -12.65289      41.86360 
1 1 1 3   37 13 o 349.160 18.831 26.237  2.7741 26.779  4.3350  25.861  3.6102 348.691 29.638 344.579 24.907 4.112030       38.71387 
1 1 1 3   37 14 o 149.671 34.979 5.1716  2.1773 7.6318  3.0414  2.5852  3.1184 180.447 40.761 118.905 45.056 61.54259       60.75772 
1 1 1 3   37 15 o 177.471 26.255 7.0251  1.9137 10.498  3.1048  4.8974  2.4302 213.839 35.532 144.301 38.888 69.53719       52.67639 
1 1 1 3   37 16 o 166.235 28.526 6.2661  1.9359 5.2355  2.5269  7.7304  3.0120 148.197 39.533 179.925 40.506 -31.72760      56.60046 
1 1 1 3   37 17 o 159.615 33.916 5.9527  2.2219 4.5053  2.5216  10.979  4.6989 137.389 40.550 206.897 53.301 -69.50818      66.97235 
1 1 1 3   37 18 o 241.564 25.016 12.981  2.5221 10.634  3.1805  16.958  4.1396 212.672 36.636 269.129 37.326 -56.45689      52.30137 
1 1 1 3   37 19 o 356.739 33.581 29.428  5.0135 0.0000  0.0000  29.428  5.0135 ?       ?      356.739 33.581 0.000000       33.58052 
1 1 1 3   37 20 o 203.185 26.513 9.3699  2.2270 11.729  2.9721  6.3490  3.3630 224.338 32.207 156.849 46.957 67.48933       56.94116 
1 1 1 3   37 21 o 64.864  28.317 -0.1180 1.4692 -0.0000 1.8550  -0.3164 2.4064 73.632  31.986 80.280  35.595 -6.648148      47.85514 
1 1 1 3   38 0  o 348.232 17.556 25.894  2.5807 20.242  5.0560  27.885  3.0010 302.024 40.555 361.022 19.703 -58.99817      45.08744 
1 1 1 3   38 1  o 204.224 30.107 9.1679  2.5258 0.0000  0.0000  9.1679  2.5258 ?       ?      204.224 30.107 0.000000       30.10728 
1 1 1 3   38 2  o 366.142 15.326 28.518  2.3763 25.864  3.8442  30.160  3.0232 346.149 26.423 375.584 19.069 -29.43558      32.58586 
1 1 1 3   38 3  o 192.256 21.693 7.9990  1.7353 7.0724  2.5377  8.8129  2.3783 177.650 34.976 200.368 28.861 -22.71831      45.34612 
1 1 1 3   38 4  o 440.315 14.606 41.240  2.7236 42.570  3.8585  39.919  3.8451 446.396 20.410 432.160 21.010 14.23578       29.29132 
1 1 1 3   38 5  o 222.803 23.151 10.750  2.1526 9.1281  3.4597  11.774  2.7495 200.170 42.145 232.006 28.589 -31.83572      50.92701 
1 1 1 3   38 6  o 366.097 17.377 28.589  2.6941 28.491  4.2680  28.655  3.4736 362.319 28.034 364.922 22.588 -2.602386      36.00178 
1 1 1 3   38 7  o 309.383 19.295 20.546  2.5154 20.638  3.9957  20.485  3.2374 306.791 31.188 307.501 25.079 -0.7101440     40.02071 
1 1 1 3   38 8  o 128.059 34.506 3.7147  1.9135 5.8706  2.9897  2.2188  2.4903 159.496 43.197 110.109 40.557 49.38622       59.25205 
1 1 1 3   38 9  o 259.828 21.495 14.598  2.3440 13.715  3.4511  15.354  3.1936 248.069 33.725 264.337 29.005 -16.26755      44.48236 
1 1 1 3   38 10 o 101.605 38.910 1.6778  2.3411 0.0000  0.0000  1.6778  2.3411 ?       ?      101.605 38.910 0.000000       38.90955 
1 1 1 3   38 11 o 185.606 25.865 7.6056  1.9778 6.9373  3.1118  8.0585  2.5618 172.067 42.863 188.820 33.252 -16.75386      54.24842 
1 1 1 3   38 12 o 201.167 24.810 8.8973  2.0688 10.118  3.2690  8.0817  2.6720 209.927 38.177 188.338 34.782 21.58894       51.64520 
1 1 1 3   38 13 o 207.445 27.595 9.5557  2.3641 11.212  3.1717  7.4849  3.5464 222.154 34.860 176.719 46.688 45.43562       58.26619 
1 1 1 3   38 14 o 186.542 26.715 7.7613  2.0502 8.4115  3.1306  7.2731  2.7129 188.895 40.360 176.496 37.455 12.39891       55.06154 
1 1 1 3   38 15 o 64.713  27.539 0.0946  1.3223 -1.8881 1.8941  1.9796  1.8469 60.599  28.546 98.602  35.113 -38.00395      45.25248 
1 1 1 3   38 16 o 105.355 34.502 2.4761  1.7750 3.9382  1.9511  -4.5413 4.2746 129.368 34.837 86.832  41.470 42.53625       54.16095 
1 1 1 3   38 17 o 384.905 18.933 32.105  3.0861 30.630  4.4937  33.421  4.2456 369.406 28.957 388.068 25.984 -18.66116      38.90560 
1 1 1 3   38 18 o 107.468 45.031 1.3761  3.4470 0.0000  0.0000  1.3761  3.4470 ?       ?      107.468 45.031 0.000000       45.03093 
1 1 1 3   38 19 o 243.337 22.420 13.155  2.2845 15.206  3.3037  11.276  3.1623 256.530 31.042 217.710 35.524 38.81999       47.17641 
1 1 1 3   38 20 o 88.395  32.510 1.5564  1.5994 2.5161  2.2384  0.5553  2.2860 107.058 38.599 85.696  36.328 21.36160       53.00597 
1 1 1 3   39 0  o 423.394 15.679 38.164  2.8112 40.155  4.5736  36.955  3.5640 431.775 25.121 415.885 20.236 15.88986       32.25749 
1 1 1 3   39 1  f 336.357 14.825 24.075  2.1117 19.701  3.0368  28.170  2.9383 302.172 23.927 362.743 19.196 -60.57028      30.67537 
1 1 1 3   39 2  o 115.440 29.724 2.9873  1.4618 6.5716  2.2194  0.2406  1.9428 171.625 31.704 80.163  33.709 91.46187       46.27567 
1 1 1 3   39 3  o 272.263 17.348 15.873  1.9899 17.032  2.9437  14.898  2.7002 280.428 25.051 262.236 24.602 18.19244       35.11124 
1 1 1 3   39 4  o 383.633 15.239 31.348  2.4758 30.845  3.7183  31.748  3.3184 378.372 23.319 384.645 20.445 -6.272430      31.01227 
1 1 1 3   39 5  o 278.469 19.746 16.674  2.3135 16.770  3.8833  16.621  2.8805 275.249 34.040 276.809 24.836 -1.559753      42.13708 
1 1 1 3   39 6  o 371.476 17.369 29.476  2.7324 31.153  4.3283  28.364  3.5233 378.619 27.175 362.508 23.070 16.11111       35.64717 
1 1 1 3   39 7  o 507.903 16.129 55.066  3.4692 60.791  5.6431  51.587  4.3985 530.625 25.112 490.172 21.189 40.45221       32.85742 
1 1 1 3   39 8  o 158.289 32.020 5.6680  2.0727 5.6509  3.3323  5.6788  2.6471 156.185 46.739 156.717 39.808 -0.5318298     61.39412 
1 1 1 3   39 9  o 426.747 17.646 38.993  3.1890 34.985  5.0180  41.708  4.1303 399.101 29.907 439.385 22.270 -40.28473      37.28764 
1 1 1 3   39 10 o 409.371 23.001 36.310  3.9714 0.0000  0.0000  36.310  3.9714 ?       ?      409.371 23.001 0.000000       23.00120 
1 1 1 3   39 11 f 126.501 33.699 3.6685  1.8377 2.7216  2.8791  4.3195  2.3873 118.457 43.612 136.726 39.201 -18.26824      58.64052 
1 1 1 3   39 12 o 163.998 33.462 6.1656  2.2453 4.9704  3.0572  7.5651  3.3083 145.853 45.001 178.269 44.071 -32.41599      62.98733 
1 1 1 3   39 13 o 457.498 17.665 45.004  3.4225 45.055  5.4049  44.971  4.4220 451.553 28.409 454.364 23.057 -2.811584      36.58791 
1 1 1 3   39 14 o 98.575  34.504 2.0233  1.7770 -0.9788 2.6767  4.3892  2.3762 81.285  36.675 136.137 39.133 -54.85201      53.63253 
1 1 1 3   39 15 o 106.912 36.176 2.5179  1.9483 1.2552  2.1918  7.2736  4.2535 92.935  37.039 168.815 53.242 -75.88050      64.85824 
1 1 1 3   39 16 o 146.733 27.419 4.9175  1.6412 2.4059  2.3893  7.1610  2.2582 108.309 39.751 176.078 31.437 -67.76847      50.67944 
1 1 1 3   39 17 o 203.166 38.609 9.9220  3.2004 0.0000  0.0000  9.9220  3.2004 ?       ?      203.166 38.609 0.000000       38.60875 
1 1 1 3   39 18 o 162.744 28.383 6.1211  1.8850 4.7133  2.5206  7.9074  2.8393 137.902 40.498 179.889 38.437 -41.98717      55.83458 
1 1 1 3   39 19 o 251.029 22.831 14.051  2.4006 9.2257  3.2974  19.493  3.5017 191.851 41.769 291.944 28.693 -100.0930      50.67513 
1 1 1 3   40 0  o 537.471 13.428 61.460  3.0565 54.312  4.3867  68.203  4.2611 503.648 20.567 565.177 17.803 -61.52917      27.20186 
1 1 1 3   40 1  o 626.015 13.229 83.374  3.5071 83.228  5.0889  83.505  4.8399 623.828 19.262 625.174 18.281 -1.346497      26.55618 
1 1 1 3   40 2  o 110.799 35.258 2.6564  1.8621 3.7177  4.6097  2.4495  2.0356 143.852 54.715 108.925 36.977 34.92645       66.03804 
1 1 1 3   40 3  o 141.027 29.533 4.4698  1.7073 5.3791  2.7604  3.9064  2.1727 153.017 41.534 131.394 37.306 21.62257       55.82826 
1 1 1 3   40 4  o 461.322 14.495 45.350  2.8318 42.876  4.2125  47.389  3.8250 446.646 22.270 470.460 19.199 -23.81439      29.40332 
1 1 1 3   40 5  o 279.915 19.842 16.880  2.3369 20.816  3.9018  14.678  2.9182 307.696 30.338 258.987 27.004 48.70871       40.61528 
1 1 1 3   40 6  o 303.616 18.939 19.829  2.4231 21.142  3.8931  18.999  3.0958 309.984 30.033 295.461 24.975 14.52353       39.06059 
1 1 1 3   40 7  o 328.203 18.678 23.165  2.5854 21.480  4.0918  24.285  3.3356 311.627 31.435 334.523 23.699 -22.89633      39.36728 
1 1 1 3   40 8  o 377.017 17.683 30.455  2.8234 31.272  4.4182  29.891  3.6707 377.863 27.805 371.163 23.474 6.700989       36.38876 
1 1 1 3   40 9  o 192.948 32.444 8.4090  2.5570 9.9656  3.2789  5.9933  4.0847 207.998 38.647 160.133 52.334 47.86478       65.05695 
1 1 1 3   40 10 o 176.806 34.390 7.1556  2.4823 11.946  3.2710  0.6514  3.8116 229.563 34.731 109.789 46.739 119.7742       58.23049 
1 1 1 3   40 11 o 360.503 21.153 28.171  3.2154 28.479  4.3323  27.793  4.7976 359.015 28.735 352.621 32.493 6.393372       43.37630 
1 1 1 3   40 12 o 179.129 25.159 7.1354  1.8559 8.3706  2.9544  6.3303  2.3853 189.080 38.211 165.017 35.206 24.06233       51.95685 
1 1 1 3   40 13 o 390.560 22.464 33.348  3.6998 28.453  4.7618  40.803  5.8771 354.940 32.024 424.725 32.932 -69.78522      45.93517 
1 1 1 3   40 14 o 94.200  37.266 1.3626  2.2037 -0.9746 2.6624  6.4472  3.9270 80.674  36.471 160.008 51.232 -79.33389      62.88794 
1 1 1 3   40 15 o 172.365 23.385 6.6261  1.6629 5.3196  2.4274  7.7817  2.2828 148.591 38.324 184.114 30.334 -35.52280      48.87610 
1 1 1 3   40 16 o 322.447 24.943 23.137  3.3795 0.0000  0.0000  23.137  3.3795 ?       ?      322.447 24.943 0.000000       24.94255 
1 1 1 3   40 17 o 248.089 22.944 13.703  2.3833 7.0555  3.2846  21.095  3.4635 165.682 45.446 305.472 27.053 -139.7908      52.88853 
1 1 1 3   40 18 o 271.985 21.646 16.411  2.4726 12.530  3.5041  20.259  3.4895 227.268 37.730 297.997 27.978 -70.72881      46.97190 
1 1 1 3   40 19 o 252.212 22.494 14.183  2.3773 13.691  3.2170  14.775  3.5287 241.610 32.245 249.589 34.290 -7.978516      47.07000 
1 1 1 3   41 0  o 299.720 17.192 19.260  2.1731 15.349  3.1586  22.776  2.9944 264.398 28.668 324.810 21.897 -60.41217      36.07405 
1 1 1 3   41 1  o 208.245 20.317 9.3890  1.7689 9.1918  2.5662  9.5675  2.4417 203.202 30.785 208.103 28.451 -4.900650      41.91821 
1 1 1 3   41 2  o 148.702 25.446 4.9075  1.5448 5.9717  2.3153  4.0536  2.0740 161.873 34.809 133.261 35.930 28.61191       50.02649 
1 1 1 3   41 3  o 189.584 22.307 7.8397  1.7567 7.7864  2.8182  7.8736  2.2466 184.473 37.355 188.124 29.142 -3.651276      47.37761 
1 1 1 3   41 4  o 143.918 30.095 4.6826  1.7752 7.1863  2.7402  2.8719  2.3304 176.796 37.747 116.504 39.563 60.29246       54.68191 
1 1 1 3   41 5  o 223.520 22.572 10.881  2.1073 13.928  3.5139  9.1688  2.6335 249.143 34.206 202.183 31.807 46.96027       46.70950 
1 1 1 3   41 6  o 198.666 23.765 8.6523  1.9598 8.0825  3.2706  8.9715  2.4479 185.677 42.510 200.498 29.730 -14.82108      51.87482 
1 1 1 3   41 7  o 283.845 19.709 17.407  2.3545 16.149  3.9737  18.087  2.9228 267.229 36.031 287.935 24.194 -20.70602      43.40017 
1 1 1 3   41 8  o 471.853 16.621 47.695  3.3213 46.231  5.2334  48.682  4.2977 459.499 27.013 474.925 21.368 -15.42566      34.44249 
1 1 1 3   41 9  o 292.029 32.327 19.092  3.9309 19.092  3.9309  0.0000  0.0000 292.029 32.327 ?       ?      0.000000       32.32713 
1 1 1 3   41 10 o 263.918 24.884 15.308  2.7484 15.337  3.5776  15.267  4.2932 260.587 33.170 255.965 40.989 4.621719       52.72911 
1 1 1 3   41 11 o 139.459 31.668 4.4935  1.8276 4.7254  2.8004  4.3215  2.4121 141.219 42.980 135.513 39.565 5.705353       58.41800 
1 1 1 3   41 12 o 150.212 36.987 5.3571  2.3372 3.2271  2.8631  9.6111  4.0463 121.918 43.687 195.899 48.921 -73.98064      65.58790 
1 1 1 3   41 13 o 102.731 37.986 2.0976  2.1884 0.3725  2.7380  5.1489  3.6414 91.735  39.347 145.435 49.455 -53.70037      63.19797 
1 1 1 3   41 14 o 98.974  38.153 1.7494  2.2610 0.0000  0.0000  1.7494  2.2610 ?       ?      98.974  38.153 0.000000       38.15346 
1 1 1 3   41 15 o 77.425  32.213 0.5197  1.7461 0.0000  0.0000  0.5197  1.7461 ?       ?      77.425  32.213 0.000000       32.21277 
1 1 1 3   41 16 o 104.450 30.286 2.5546  1.4177 2.1751  2.0065  2.9330  2.0033 100.980 36.524 111.866 36.655 -10.88620      51.74528 
1 1 1 3   41 17 o 167.374 27.304 6.4644  1.8686 6.5853  2.5389  6.3214  2.7602 163.488 37.472 158.173 40.903 5.315430       55.47220 
1 1 1 3   41 18 o 164.756 29.025 6.3410  1.9512 5.4386  2.6086  7.4871  2.9397 146.582 40.620 172.136 40.926 -25.55429      57.66164 
1 1 1 3   42 0  o 197.118 32.335 8.7406  2.6057 7.3764  4.4574  9.4488  3.2115 175.784 54.355 202.749 38.817 -26.96523      66.79221 
1 1 1 3   42 1  o 108.339 32.185 2.6257  1.5844 5.2914  2.3857  0.5222  2.1192 151.292 37.439 85.478  35.519 65.81329       51.60688 
1 1 1 3   42 2  o 280.343 16.155 16.862  1.9098 17.943  2.8908  16.024  2.5441 287.022 24.003 271.654 22.311 15.36765       32.77083 
1 1 1 3   42 3  o 285.956 16.236 17.548  1.9580 16.686  2.8963  18.274  2.6573 276.297 25.024 290.312 21.772 -14.01523      33.16967 
1 1 1 3   42 4  o 159.293 26.485 5.6594  1.7239 3.0261  2.6803  7.5174  2.2514 120.460 42.364 182.953 30.106 -62.49358      51.97134 
1 1 1 3   42 5  o 337.615 16.395 24.407  2.3442 22.623  3.4551  25.928  3.1909 321.565 25.583 345.823 21.901 -24.25839      33.67720 
1 1 1 3   42 6  o 181.531 26.659 7.3294  1.9884 7.2391  3.4712  7.3735  2.4258 173.844 46.316 179.923 33.055 -6.078476      56.90192 
1 1 1 3   42 7  o 408.178 16.732 35.723  2.8922 37.295  4.5566  34.663  3.7429 412.594 26.214 399.614 22.204 12.98053       34.35424 
1 1 1 3   42 8  o 137.950 38.115 4.4460  2.3006 3.0437  3.0066  6.4270  3.5735 122.277 44.634 163.196 48.302 -40.91957      65.76733 
1 1 1 3   42 9  o 65.070  31.490 -3.9865 2.6600 -3.9865 2.6600  0.0000  0.0000 65.070  31.490 ?       ?      0.000000       31.49001 
1 1 1 3   42 10 o 150.657 38.389 5.3940  2.4564 4.9587  3.1073  6.1191  4.0107 144.005 45.516 157.998 51.868 -13.99309      69.00736 
1 1 1 3   42 11 o 148.493 37.201 5.2582  2.3345 3.7533  2.8259  8.4923  4.1427 127.693 43.566 182.256 51.432 -54.56256      67.40388 
1 1 1 3   42 12 o 186.805 25.888 7.8515  1.9929 5.6350  3.0776  9.4523  2.6154 150.809 44.869 202.613 31.504 -51.80460      54.82451 
1 1 1 3   42 13 o 125.529 40.432 3.7384  2.4431 0.0000  0.0000  3.7384  2.4431 ?       ?      125.529 40.432 0.000000       40.43172 
1 1 1 3   42 14 f 128.458 35.961 3.9622  2.0338 0.0000  0.0000  3.9622  2.0338 ?       ?      128.458 35.961 0.000000       35.96125 
1 1 1 3   42 15 o 151.889 26.467 5.2991  1.6405 1.6247  2.3822  8.6136  2.2626 97.689  38.714 193.484 28.464 -95.79488      48.05179 
1 1 1 3   42 16 o 73.635  29.211 0.7962  1.3574 0.8497  1.9463  0.7455  1.8941 83.362  34.283 81.455  33.692 1.907623       48.06699 
1 1 1 3   42 17 o 209.961 22.898 9.9054  2.0030 11.095  2.8935  8.8111  2.7755 216.369 32.590 190.401 35.734 25.96799       48.36281 
1 1 1 3   43 0  o 313.529 19.918 21.246  2.6309 20.199  3.4019  22.804  4.1500 303.204 26.769 320.395 30.972 -17.19083      40.93666 
1 1 1 3   43 1  o 199.486 20.906 8.6721  1.7399 5.7320  2.5637  11.183  2.3690 156.605 38.845 225.460 25.244 -68.85544      46.32680 
1 1 1 3   43 2  o 252.543 17.752 13.754  1.8865 15.476  2.8081  12.338  2.5469 265.588 25.272 236.697 25.827 28.89128       36.13467 
1 1 1 3   43 3  o 153.467 24.568 5.2372  1.5429 4.0947  2.3703  6.0771  2.0324 133.069 39.326 163.741 30.430 -30.67239      49.72445 
1 1 1 3   43 4  o 202.020 21.850 8.9246  1.8396 8.6351  2.8436  9.1329  2.4124 193.701 35.990 202.037 29.029 -8.335495      46.23805 
1 1 1 3   43 5  o 117.072 32.139 3.1404  1.6419 3.1403  2.5715  3.1405  2.1334 120.549 41.545 118.254 37.750 2.294777       56.13425 
1 1 1 3   43 6  o 72.633  32.507 -0.7039 2.0561 0.2961  2.9269  -1.6782 2.8891 95.110  40.735 80.837  37.098 14.27217       55.09576 
1 1 1 3   43 7  o 399.749 30.120 35.577  5.0616 35.577  5.0616  0.0000  0.0000 399.749 30.120 ?       ?      0.000000       30.12012 
1 1 1 3   43 8  o 139.924 38.207 4.6289  2.3277 4.0181  2.9305  5.6730  3.8314 132.274 44.369 153.349 50.713 -21.07436      67.38226 
1 1 1 3   43 9  o 381.850 34.761 33.340  5.5597 0.0000  0.0000  33.340  5.5597 ?       ?      381.850 34.761 0.000000       34.76134 
1 1 1 3   43 10 o 172.394 28.817 6.7878  2.0296 6.3456  3.1057  7.1175  2.6814 160.084 44.306 172.552 37.745 -12.46768      58.20416 
1 1 1 3   43 11 o 193.311 35.211 8.8101  2.7764 0.0000  0.0000  8.8101  2.7764 ?       ?      193.311 35.211 0.000000       35.21107 
1 1 1 3   43 12 o 280.538 26.647 17.671  3.1278 0.0000  0.0000  17.671  3.1278 ?       ?      280.538 26.647 0.000000       26.64683 
1 1 1 3   43 13 o 122.850 34.255 3.6039  1.8492 0.7549  2.9866  5.3752  2.3549 97.054  41.346 148.616 37.436 -51.56198      55.77605 
1 1 1 3   43 14 o 194.715 23.740 8.5277  1.9171 8.2024  3.2027  8.7094  2.3932 180.040 42.660 193.485 30.192 -13.44431      52.26307 
1 1 1 3   43 15 o 130.133 26.798 3.9501  1.4277 6.4969  2.0584  1.5894  1.9818 165.947 30.411 92.360  35.688 73.58731       46.88752 
1 1 1 3   43 16 o 162.422 23.772 6.0028  1.5868 6.3520  2.1921  5.6186  2.2997 162.320 33.014 150.547 36.459 11.77325       49.18482 
1 1 1 3   43 17 o 78.298  30.142 1.0762  1.4096 0.4425  2.0298  1.6665  1.9591 80.061  34.096 92.860  35.586 -12.79954      49.28376 
1 1 1 3   44 0  o 265.707 24.114 15.479  2.6838 12.113  4.0362  18.146  3.5932 226.090 43.736 285.208 30.210 -59.11742      53.15539 
1 1 1 3   44 1  o 217.086 19.666 10.242  1.7883 11.881  2.5951  8.7599  2.4679 231.469 26.980 197.019 30.569 34.45071       40.77232 
1 1 1 3   44 2  o 184.522 21.092 7.4543  1.6186 5.6747  2.5184  8.7067  2.1126 155.307 38.487 198.100 25.794 -42.79333      46.33079 
1 1 1 3   44 3  o 185.981 22.051 7.5971  1.7029 8.1921  2.5513  7.1190  2.2870 189.311 33.023 176.680 31.732 12.63120       45.79804 
1 1 1 3   44 4  o 208.029 33.146 9.8719  2.8221 9.8719  2.8221  0.0000  0.0000 208.029 33.146 ?       ?      0.000000       33.14618 
1 1 1 3   44 5  o 255.672 28.423 14.588  3.0254 14.588  3.0254  0.0000  0.0000 255.672 28.423 ?       ?      0.000000       28.42275 
1 1 1 3   44 6  o 255.982 34.504 15.008  3.6452 15.008  3.6452  0.0000  0.0000 255.982 34.504 ?       ?      0.000000       34.50405 
1 1 1 3   44 7  o 125.133 37.613 3.6724  2.1545 3.0759  3.0404  4.2741  3.0535 121.281 44.788 135.021 45.291 -13.74073      63.69601 
1 1 1 3   44 8  o 108.291 35.224 2.6566  1.8512 -0.7857 2.8976  5.0306  2.4064 85.498  38.405 144.578 38.584 -59.08019      54.43929 
1 1 1 3   44 9  o 108.375 40.953 2.3216  2.5718 0.0000  0.0000  2.3216  2.5718 ?       ?      108.375 40.953 0.000000       40.95300 
1 1 1 3   44 10 o 140.598 41.325 4.8567  2.6236 0.0000  0.0000  4.8567  2.6236 ?       ?      140.598 41.325 0.000000       41.32452 
1 1 1 3   44 11 o 92.319  35.451 1.5309  1.9468 -0.3489 3.0020  2.8951  2.5574 89.168  39.636 114.442 41.258 -25.27454      57.21223 
1 1 1 3   44 12 o 132.029 34.467 4.1948  1.9479 4.8570  3.2010  3.8054  2.4547 139.220 46.368 125.418 40.541 13.80239       61.59227 
1 1 1 3   44 13 o 73.829  30.918 0.4462  1.6234 5.5665  2.4868  -3.3569 2.1431 149.434 38.912 57.058  27.764 92.37591       47.80162 
1 1 1 3   44 14 o 109.497 32.507 2.8755  1.6166 -0.3931 2.7149  4.6712  2.0123 83.402  37.339 138.084 34.508 -54.68195      50.84291 
1 1 1 3   44 15 o 225.633 19.913 11.298  1.8833 12.008  2.7249  10.649  2.6058 227.106 28.994 213.288 29.651 13.81754       41.47055 
1 1 1 3   44 16 o 100.514 30.390 2.3921  1.4034 2.9614  1.9790  1.8162  1.9906 110.839 36.437 94.848  35.984 15.99037       51.21018 
1 1 1 3   45 0  o 324.111 33.216 23.764  4.4947 23.764  4.4947  0.0000  0.0000 324.111 33.216 ?       ?      0.000000       33.21584 
1 1 1 3   45 1  o 145.942 34.157 4.9695  2.0737 6.6635  2.5826  1.8957  3.4789 168.285 37.226 114.361 46.283 53.92376       59.39584 
1 1 1 3   45 2  o 271.587 25.835 16.327  2.9356 16.327  2.9356  0.0000  0.0000 271.587 25.835 ?       ?      0.000000       25.83532 
1 1 1 3   45 3  o 206.951 30.967 9.7389  2.6306 9.7389  2.6306  0.0000  0.0000 206.951 30.967 ?       ?      0.000000       30.96687 
1 1 1 3   45 4  o 116.377 38.354 3.0661  2.1923 3.0661  2.1923  0.0000  0.0000 116.377 38.354 ?       ?      0.000000       38.35437 
1 1 1 3   45 5  f 114.537 33.612 3.0473  1.7369 0.1515  3.1629  4.2976  2.0783 95.967  41.728 134.662 35.820 -38.69507      54.99314 
1 1 1 3   45 6  o 168.642 35.205 6.7208  2.4331 0.0000  0.0000  6.7208  2.4331 ?       ?      168.642 35.205 0.000000       35.20500 
1 1 1 3   45 7  o 174.401 33.492 7.1421  2.3837 0.0000  0.0000  7.1421  2.3837 ?       ?      174.401 33.492 0.000000       33.49175 
1 1 1 3   45 8  o 158.798 37.863 6.1217  2.5104 0.0000  0.0000  6.1217  2.5104 ?       ?      158.798 37.863 0.000000       37.86314 
1 1 1 3   45 9  o 203.997 34.122 9.8001  2.8437 0.0000  0.0000  9.8001  2.8437 ?       ?      203.997 34.122 0.000000       34.12226 
1 1 1 3   45 10 o 204.350 25.771 9.4391  2.1807 12.797  3.3271  6.9100  2.8873 232.854 34.808 166.587 41.164 66.26767       53.90807 
1 1 1 3   45 11 o 205.463 25.605 9.5628  2.1796 6.8782  3.3340  11.567  2.8804 162.715 46.217 222.807 31.397 -60.09201      55.87270 
1 1 1 3   45 12 o 432.757 18.045 40.884  3.3070 44.859  5.2557  38.279  4.2549 443.175 28.149 413.004 24.436 30.17151       37.27594 
1 1 1 3   45 13 o 76.637  31.381 0.7231  1.6221 1.4999  2.3406  0.0052  2.2499 94.669  38.086 79.361  34.833 15.30733       51.61292 
1 1 1 3   45 14 o 279.775 18.571 17.254  2.1878 15.447  3.2008  18.839  2.9972 256.739 30.005 288.054 24.812 -31.31497      38.93534 
1 1 1 3   45 15 o 108.459 31.166 2.8350  1.5074 3.0698  2.2596  2.6467  2.0234 112.715 38.938 106.074 36.836 6.640839       53.60098 
1 1 1 3   46 0  f 406.284 27.686 36.799  4.7352 0.0000  0.0000  36.799  4.7352 ?       ?      406.284 27.686 0.000000       27.68615 
1 1 1 3   46 1  o 98.446  38.211 1.6590  2.2800 0.2382  4.4422  2.1671  2.6566 111.135 48.858 107.960 41.424 3.175095       64.05532 
1 1 1 3   46 2  f 482.052 22.006 50.791  4.4923 50.882  7.5321  50.740  5.5967 466.640 38.457 476.676 27.846 -10.03647      47.47998 
1 1 1 3   46 3  o 155.378 33.510 5.6829  2.1402 0.0000  0.0000  5.6829  2.1402 ?       ?      155.378 33.510 0.000000       33.51028 
1 1 1 3   46 4  o 239.027 25.032 12.761  2.4963 0.0000  0.0000  12.761  2.4963 ?       ?      239.027 25.032 0.000000       25.03174 
1 1 1 3   46 5  o 101.081 36.805 2.1183  2.0425 0.0000  0.0000  2.1183  2.0425 ?       ?      101.081 36.805 0.000000       36.80531 
1 1 1 3   46 6  o 193.935 32.493 8.7968  2.5743 0.0000  0.0000  8.7968  2.5743 ?       ?      193.935 32.493 0.000000       32.49332 
1 1 1 3   46 7  o 140.074 31.385 4.6351  1.8156 1.4470  3.1060  6.2901  2.2378 103.919 43.077 162.676 33.595 -58.75658      54.62822 
1 1 1 3   46 8  o 302.519 19.080 20.035  2.4319 16.148  4.3932  21.752  2.9201 256.153 41.951 313.514 22.136 -57.36026      47.43294 
1 1 1 3   46 9  o 92.123  37.658 1.1568  2.3308 0.0000  0.0000  1.1568  2.3308 ?       ?      92.123  37.658 0.000000       37.65788 
1 1 1 3   46 10 o 68.184  30.343 -0.3684 1.7644 -0.5123 2.7357  -0.2659 2.3087 83.290  37.371 78.623  34.862 4.666374       51.10758 
1 1 1 3   46 11 o 86.511  34.029 1.2814  1.8277 3.0292  2.6465  -0.3126 2.5273 114.255 41.850 81.171  36.205 33.08387       55.33730 
1 1 1 3   46 12 o 149.205 31.057 5.3495  1.8986 4.0494  3.1813  6.0688  2.3662 126.590 45.958 155.921 36.482 -29.33156      58.67741 
1 1 1 3   46 13 o 197.513 34.783 9.5414  2.8032 7.0054  3.4850  14.189  4.7178 159.177 47.835 226.100 50.541 -66.92371      69.58897 
1 1 1 3   46 14 o 79.431  28.835 1.2952  1.2523 0.1952  1.7620  2.4181  1.7802 72.781  31.395 101.474 34.579 -28.69338      46.70480 
1 1 1 3   47 0  o 135.727 36.087 4.4424  2.1101 0.0000  0.0000  4.4424  2.1101 ?       ?      135.727 36.087 0.000000       36.08703 
1 1 1 3   47 1  o 204.128 28.359 9.5158  2.3853 0.0000  0.0000  9.5158  2.3853 ?       ?      204.128 28.359 0.000000       28.35941 
1 1 1 3   47 2  o 79.553  31.116 0.9982  1.5208 2.3204  2.3465  0.0406  1.9969 105.835 39.294 76.659  33.244 29.17536       51.47040 
1 1 1 3   47 3  o 146.090 27.233 4.9188  1.6228 4.1787  2.8815  5.2626  1.9639 130.904 43.996 149.147 32.048 -18.24287      54.43071 
1 1 1 3   47 4  o 105.108 31.375 2.5847  1.5029 2.2009  2.2559  2.8910  2.0153 103.352 38.498 111.349 36.778 -7.996941      53.24160 
1 1 1 3   47 5  o 186.188 22.086 7.7349  1.7075 10.110  2.5957  5.9235  2.2671 208.949 30.211 156.758 35.032 52.19034       46.25947 
1 1 1 3   47 6  o 190.166 24.963 8.1809  1.9618 6.9068  3.3783  8.8292  2.4097 162.879 46.614 194.959 30.159 -32.08043      55.51971 
1 1 1 3   47 7  o 211.070 23.261 9.9855  2.0447 9.3875  3.4703  10.303  2.5306 192.103 43.649 211.319 29.045 -19.21632      52.42955 
1 1 1 3   47 8  o 109.681 38.703 2.7586  2.2388 -0.8329 3.2060  6.1770  3.1278 87.677  39.792 154.006 45.080 -66.32838      60.13013 
1 1 1 3   47 9  o 54.719  26.999 -4.4065 2.2555 0.0000  0.0000  -4.4065 2.2555 ?       ?      54.719  26.999 0.000000       26.99900 
1 1 1 3   47 10 o 135.418 37.786 4.6331  2.2492 5.5476  2.9880  3.4373  3.4167 144.608 44.468 121.153 46.846 23.45529       64.59079 
1 1 1 3   47 11 o 67.367  30.395 -0.5512 1.8386 -0.9008 3.0328  -0.3480 2.3119 83.585  38.230 77.017  34.470 6.567825       51.47483 
1 1 1 3   47 12 o 74.830  31.703 0.4447  1.7392 3.1607  2.7923  -1.2769 2.2230 114.816 42.818 68.943  31.960 45.87321       53.43039 
1 1 1 3   47 13 o 100.941 37.361 2.2766  2.1180 -0.9595 3.2586  4.6440  2.7871 85.907  39.415 132.580 43.224 -46.67307      58.49665 
1 1 1 3   48 0  o 113.096 33.964 3.0504  1.7573 5.1139  3.5347  2.3729  2.0254 141.315 48.708 103.592 36.784 37.72287       61.03653 
1 1 1 3   48 1  o 125.350 32.704 3.7709  1.7544 5.8287  3.0004  2.7018  2.1626 150.737 44.160 108.886 38.066 41.85166       58.30231 
1 1 1 3   48 2  o 284.832 17.162 17.687  2.0605 14.804  3.0360  20.149  2.8057 254.008 28.728 301.273 22.146 -47.26418      36.27314 
1 1 1 3   48 3  o 234.876 19.296 12.144  1.9023 8.9937  2.7575  15.004  2.6277 193.683 34.903 258.481 24.290 -64.79819      42.52327 
1 1 1 3   48 4  o 71.841  29.865 0.4658  1.4990 1.3230  2.3135  -0.1546 1.9681 93.327  37.752 73.905  32.505 19.42188       49.81778 
1 1 1 3   48 5  f 60.556  28.119 -1.2335 1.7315 3.9970  4.4389  -2.1723 1.8805 132.340 52.720 57.698  27.542 74.64157       59.48105 
1 1 1 3   48 6  o 181.632 25.356 7.5310  1.8972 11.841  3.4729  5.6976  2.2650 219.083 38.855 152.351 35.725 66.73161       52.78221 
1 1 1 3   48 7  o 91.692  34.536 1.6847  1.8254 3.4878  3.0456  0.6739  2.2803 120.883 44.789 85.773  36.318 35.10950       57.66331 
1 1 1 3   48 8  o 103.374 37.928 2.3965  2.1749 -1.1923 3.1549  5.6467  3.0023 83.798  38.571 145.584 44.542 -61.78625      58.92068 
1 1 1 3   48 9  o 194.436 27.505 8.8225  2.2016 8.9840  3.7471  8.7373  2.7208 179.790 48.220 188.011 35.472 -8.221451      59.86161 
1 1 1 3   48 10 o 106.135 37.247 2.6940  2.0715 2.6431  2.9313  2.7449  2.9277 109.722 43.115 110.725 43.210 -1.003052      61.04152 
1 1 1 3   48 11 o 74.938  32.034 0.3732  1.8039 1.6241  2.6442  -0.7158 2.4670 97.531  40.017 76.374  34.756 21.15680       53.00329 
1 1 1 3   48 12 o 60.463  28.853 -2.1869 2.0606 -4.1335 2.8330  -0.0000 3.0027 64.870  31.643 88.387  39.441 -23.51656      50.56547 
1 1 1 3   49 0  o 92.892  32.752 1.8803  1.6030 0.8562  2.7243  2.4226  1.9825 93.347  39.620 103.465 36.429 -10.11775      53.82230 
1 1 1 3   49 1  o 99.092  36.311 2.1043  1.9925 1.6547  2.8984  2.5071  2.7436 102.192 41.909 109.314 42.060 -7.122826      59.37502 
1 1 1 3   49 2  o 186.974 23.504 7.9036  1.8200 9.0777  2.8520  7.0971  2.3638 192.851 36.252 171.537 33.742 21.31389       49.52446 
1 1 1 3   49 3  o 162.099 25.036 6.0220  1.6633 8.2953  2.4548  4.0925  2.2616 186.574 32.234 127.937 38.554 58.63793       50.25415 
1 1 1 3   49 4  o 197.858 21.389 8.7653  1.7637 8.9231  2.5958  8.6299  2.4038 192.915 32.956 191.068 30.751 1.846542       45.07507 
1 1 1 3   49 5  o 151.956 25.201 5.3322  1.5649 6.6777  2.3366  4.2378  2.1073 164.996 34.548 130.014 36.680 34.98174       50.38812 
1 1 1 3   49 6  o 114.029 35.108 3.2088  1.8619 1.0097  3.2630  4.2705  2.2672 98.927  42.697 129.361 38.516 -30.43433      57.50271 
1 1 1 3   49 7  o 100.659 35.509 2.3591  1.8844 5.9547  3.1860  0.4242  2.3371 147.167 46.027 83.360  36.057 63.80705       58.46868 
1 1 1 3   49 8  o 131.676 47.633 4.7088  3.4130 4.7088  3.4130  0.0000  0.0000 131.676 47.633 ?       ?      0.000000       47.63340 
1 1 1 3   49 9  o 134.933 33.618 4.5512  1.9140 9.3479  3.2064  1.8961  2.3856 188.535 41.302 97.736  38.739 90.79961       56.62626 
1 1 1 3   49 10 o 199.928 32.627 9.7467  2.6671 4.8421  3.6736  15.214  3.8785 132.441 49.167 244.460 38.757 -112.0181      62.60575 
1 1 1 3   50 0  o 120.684 32.137 3.5592  1.6718 7.2051  3.0518  1.9962  1.9982 165.061 43.168 96.808  36.198 68.25327       56.33617 
1 1 1 3   50 1  o 216.700 25.112 10.758  2.2619 14.096  3.1269  7.0937  3.2759 243.862 30.976 161.580 45.784 82.28212       55.27840 
1 1 1 3   50 2  o 162.989 27.035 6.2151  1.8007 11.005  2.9113  3.2471  2.2916 213.204 33.335 114.629 39.231 98.57539       51.48151 
1 1 1 3   50 3  o 178.980 22.443 7.2755  1.6637 8.5069  2.5604  6.3757  2.1887 186.508 33.655 161.231 33.162 25.27745       47.24775 
1 1 1 3   50 4  o 145.940 27.807 5.0538  1.6558 3.6724  2.4779  6.1682  2.2257 119.877 40.796 157.507 34.337 -37.62983      53.32329 
1 1 1 3   50 5  o 241.414 20.894 13.095  2.1151 10.014  3.5252  14.828  2.6438 192.667 44.150 254.018 24.897 -61.35110      50.68629 
1 1 1 3   50 6  f 184.093 25.569 7.8854  1.9396 2.5814  3.0209  11.606  2.5300 108.674 43.427 222.412 27.442 -113.7382      51.37113 
1 1 1 3   50 7  o 163.484 29.464 6.4299  1.9649 2.6126  3.4398  8.2786  2.3939 111.037 45.610 184.238 31.833 -73.20079      55.62029 
1 1 1 3   50 8  o 139.898 48.984 5.6429  3.5816 0.0000  0.0000  5.6429  3.5816 ?       ?      139.898 48.984 0.000000       48.98382 
1 1 1 3   50 9  o 193.140 34.347 9.2763  2.7064 10.097  3.6601  8.2858  4.0199 190.725 45.875 165.868 51.673 24.85635       69.09900 
1 1 1 3   51 0  o 143.656 27.770 4.9274  1.6283 6.4868  2.9346  4.2337  1.9572 154.062 43.222 129.082 34.947 24.97986       55.58244 
1 1 1 3   51 1  o 186.135 28.104 8.2156  2.1463 2.1320  3.0622  14.091  3.0093 104.576 43.004 242.949 29.878 -138.3739      52.36407 
1 1 1 3   51 2  o 143.188 30.236 5.0016  1.7760 5.8965  2.8618  4.4411  2.2648 146.524 43.186 130.151 38.435 16.37346       57.81271 
1 1 1 3   51 3  o 83.227  31.961 1.3608  1.5823 3.1492  2.3242  -0.1842 2.1603 111.717 39.432 74.983  33.457 36.73413       51.71310 
1 1 1 3   51 4  o 102.961 32.398 2.6103  1.5758 4.0271  2.3383  1.4314  2.1329 123.549 39.530 89.732  36.266 33.81656       53.64579 
1 1 1 3   51 5  o 122.534 30.179 3.6987  1.5557 2.4304  2.3318  4.7160  2.0885 102.561 38.938 135.224 35.878 -32.66295      52.94684 
1 1 1 3   51 6  o 82.963  32.066 1.3379  1.6003 1.4365  2.2747  1.2413  2.2518 91.057  37.210 88.828  36.738 2.229050       52.28988 
1 1 1 3   51 7  o 76.896  31.934 0.7447  1.7115 -0.1782 3.0965  1.1507  2.0538 87.122  39.364 85.742  35.234 1.380135       52.82962 
1 1 1 3   52 0  o 83.320  31.812 1.4102  1.5620 2.8370  2.8616  0.8047  1.8642 108.826 42.650 79.382  33.177 29.44447       54.03466 
1 1 1 3   52 1  o 274.115 26.222 17.599  3.0069 24.854  4.7500  12.747  3.8842 312.827 36.543 215.260 44.092 97.56769       57.26656 
1 1 1 3   52 2  o 104.363 33.914 2.7247  1.7163 1.4653  2.8488  3.4422  2.1503 96.031  40.624 114.922 37.991 -18.89104      55.61988 
1 1 1 3   52 3  o 50.382  24.291 -2.0229 1.5470 -0.2096 2.5911  -3.0274 1.9285 80.369  36.189 53.210  25.989 27.15971       44.55401 
1 1 1 3   52 4  o 136.106 30.322 4.5734  1.7030 7.1604  2.6546  2.7640  2.2200 164.439 38.754 105.694 38.389 58.74542       54.54852 
1 1 1 3   52 5  o 83.718  31.073 1.4962  1.4671 1.1457  2.2358  1.7613  1.9442 87.343  36.405 91.439  35.343 -4.096153      50.73879 
1 1 1 3   53 0  o 99.277  36.317 2.3769  1.9920 3.2958  2.9814  1.6359  2.6774 113.052 43.747 95.514  39.826 17.53840       59.16027 
1 1 1 3   53 1  o 147.615 49.857 6.7283  3.7006 6.7283  3.7006  0.0000  0.0000 147.615 49.857 ?       ?      0.000000       49.85706 
1 1 1 3   53 2  o 165.374 36.867 7.1498  2.5161 7.7137  3.5320  6.5687  3.5852 160.387 48.147 146.778 49.076 13.60893       68.75056 
1 1 1 4   0  0  o 769.360 31.969 126.596 10.375 126.596 10.375  0.0000  0.0000 769.360 31.969 769.360 31.969 0.000000       0.000000 
1 1 1 4   0  1  o 925.524 23.277 182.201 9.1105 183.174 12.874  181.226 12.894 925.913 32.928 920.900 33.159 0.000000       0.000000 
1 1 1 4   0  2  o 326.443 21.595 22.911  2.9554 26.614  4.1915  19.251  4.1677 350.349 28.694 294.763 34.640 0.000000       0.000000 
1 1 1 4   0  3  o 1145.67 24.684 279.206 11.964 279.740 16.890  278.667 16.948 1144.14 34.931 1141.88 35.124 0.000000       0.000000 
1 1 1 4   0  4  o 223.776 22.689 10.956  2.0995 9.5373  2.9715  12.371  2.9669 201.152 39.132 235.080 31.365 0.000000       0.000000 
1 1 1 4   0  5  o 169.699 25.115 6.5067  1.6888 5.8198  2.3603  7.2272  2.4173 149.739 42.931 173.274 37.576 0.000000       0.000000 
1 1 1 4   0  6  o 340.467 31.772 25.346  4.4894 0.0000  0.0000  25.346  4.4894 340.467 31.772 340.467 31.772 0.000000       0.000000 
1 1 1 4   0  7  o 309.786 22.349 20.716  2.8970 18.061  4.0690  23.446  4.1255 284.422 35.235 327.451 30.349 0.000000       0.000000 
1 1 1 4   0  8  o 362.095 31.801 28.628  4.7900 28.628  4.7900  0.0000  0.0000 362.095 31.801 362.095 31.801 0.000000       0.000000 
1 1 1 4   0  9  o 36.970  24.306 -0.1733 0.9630 -0.1716 1.3792  -0.1749 1.3453 44.951  29.388 44.322  28.993 0.000000       0.000000 
1 1 1 4   0  10 o 644.301 22.603 88.531  6.1501 89.873  8.6423  87.154  8.7538 646.972 31.717 636.771 32.658 0.000000       0.000000 
1 1 1 4   0  11 o 509.655 22.469 55.469  4.8281 55.280  6.7719  55.664  6.8855 506.615 31.852 508.273 32.287 0.000000       0.000000 
1 1 1 4   0  12 o 316.896 22.841 21.639  3.0287 21.782  4.2545  21.492  4.3126 315.081 32.690 312.622 33.550 0.000000       0.000000 
1 1 1 4   0  13 o 328.414 23.020 23.213  3.1655 24.851  4.4418  21.523  4.5125 337.635 31.707 312.376 35.269 0.000000       0.000000 
1 1 1 4   0  14 o 552.372 32.853 65.505  7.6229 0.0000  0.0000  65.505  7.6229 552.372 32.853 552.372 32.853 0.000000       0.000000 
1 1 1 4   0  15 o 336.277 33.146 24.717  4.6151 24.717  4.6151  0.0000  0.0000 336.277 33.146 336.277 33.146 0.000000       0.000000 
1 1 1 4   0  16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   0  17 o 1164.30 25.519 288.213 12.569 297.021 17.606  279.056 17.950 1179.81 35.309 1142.99 37.172 0.000000       0.000000 
1 1 1 4   0  18 o 149.501 37.328 5.5525  2.0447 3.8021  2.8699  7.3569  2.9138 109.897 53.054 169.318 46.978 0.000000       0.000000 
1 1 1 4   0  19 f 440.010 23.195 41.440  4.2947 39.657  5.9258  43.412  6.2331 427.878 33.161 447.986 33.277 0.000000       0.000000 
1 1 1 4   0  20 o 320.672 24.085 22.204  3.2284 20.397  4.4575  24.198  4.6820 303.175 36.064 331.942 34.133 0.000000       0.000000 
1 1 1 4   0  21 o 128.621 51.608 4.9131  2.7324 0.0000  0.0000  4.9131  2.7324 128.621 51.608 128.621 51.608 0.000000       0.000000 
1 1 1 4   0  22 o 314.186 34.490 21.839  4.4482 21.839  4.4482  0.0000  0.0000 314.186 34.490 314.186 34.490 0.000000       0.000000 
1 1 1 4   0  23 o 233.925 27.168 12.127  2.5967 12.644  3.5788  11.551  3.7735 233.511 39.613 218.667 46.333 0.000000       0.000000 
1 1 1 4   0  24 o 324.805 24.676 22.872  3.3492 19.286  4.4982  27.333  5.0172 292.493 38.102 352.128 34.398 0.000000       0.000000 
1 1 1 4   0  25 o 171.709 55.373 8.1292  3.5561 0.0000  0.0000  8.1292  3.5561 171.709 55.373 171.709 55.373 0.000000       0.000000 
1 1 1 4   0  26 o 558.058 23.946 66.935  5.6356 75.547  7.7671  57.362  8.1894 590.101 31.281 510.130 38.408 0.000000       0.000000 
1 1 1 4   0  27 o 114.047 40.925 3.7174  1.8076 4.0987  2.2478  3.0194  3.0412 116.457 46.822 97.101  52.660 0.000000       0.000000 
1 1 1 4   0  28 o 202.515 50.475 10.521  3.7456 0.0000  0.0000  10.521  3.7456 202.515 50.475 202.515 50.475 0.000000       0.000000 
1 1 1 4   1  0  o 906.198 23.111 174.780 8.8693 176.308 12.520  173.241 12.567 907.859 32.563 899.812 32.978 8.046814       46.34565 
1 1 1 4   1  1  o 1296.18 18.053 356.882 9.9098 348.730 13.991  365.090 14.038 1279.17 25.827 1308.99 25.324 -29.82434      36.17114 
1 1 1 4   1  2  o 1369.57 18.468 398.542 10.711 397.866 15.138  399.218 15.158 1366.04 26.168 1368.37 26.157 -2.322998      36.99899 
1 1 1 4   1  3  o 766.714 15.928 124.809 5.1718 120.942 7.3053  128.695 7.3229 753.669 22.888 777.568 22.238 -23.89899      31.91258 
1 1 1 4   1  4  o 131.100 17.502 3.7161  0.9474 4.2463  1.3478  3.1981  1.3321 139.267 23.701 120.071 26.868 19.19613       35.82802 
1 1 1 4   1  5  o 418.688 15.313 37.227  2.7152 35.577  3.8424  38.873  3.8373 408.037 22.321 427.274 21.207 -19.23624      30.78876 
1 1 1 4   1  6  o 328.917 22.091 23.166  3.0592 24.409  4.3578  21.958  4.2957 335.906 30.983 318.142 32.333 17.76376       44.78138 
1 1 1 4   1  7  o 375.565 15.371 29.981  2.4447 29.850  3.4539  30.112  3.4609 373.378 21.940 375.027 21.886 -1.649139      30.98948 
1 1 1 4   1  8  o 545.615 21.965 63.549  5.0752 64.555  7.1535  62.529  7.2016 546.891 31.015 537.969 31.751 8.922241       44.38498 
1 1 1 4   1  9  o 211.776 16.465 9.5947  1.4650 9.2630  2.0634  9.9318  2.0804 206.854 24.001 214.417 23.285 -7.563141      33.44000 
1 1 1 4   1  10 o 333.363 15.761 23.611  2.2251 25.155  3.1461  22.067  3.1474 342.882 21.779 320.799 23.327 22.08255       31.91349 
1 1 1 4   1  11 o 191.486 17.223 7.8513  1.3817 9.1379  1.9685  6.6018  1.9399 205.900 22.966 173.842 27.245 32.05797       35.63343 
1 1 1 4   1  12 o 569.076 15.879 68.718  3.8268 67.604  5.3991  69.842  5.4249 563.836 22.611 573.124 22.351 -9.288025      31.79355 
1 1 1 4   1  13 o 500.178 15.859 53.065  3.3592 49.620  4.7260  56.583  4.7757 483.205 23.095 516.093 21.851 -32.88852      31.79358 
1 1 1 4   1  14 o 406.390 22.942 35.197  3.9322 32.928  5.5482  37.486  5.5737 391.518 33.793 418.258 31.703 -26.74023      46.33646 
1 1 1 4   1  15 o 483.860 22.282 49.735  4.5658 49.675  6.4259  49.795  6.4886 481.756 31.673 482.298 31.949 -0.5418091     44.98814 
1 1 1 4   1  16 o 179.428 38.519 7.1489  2.8394 0.0000  0.0000  7.1489  2.8394 ?       ?      179.428 38.519 0.000000       38.51893 
1 1 1 4   1  17 o 534.465 16.117 60.614  3.6480 61.624  5.1632  59.607  5.1548 538.346 22.647 529.428 22.991 8.918579       32.27209 
1 1 1 4   1  18 o 208.384 18.578 9.2959  1.6223 9.0509  2.2927  9.5416  2.2959 204.311 27.172 210.000 26.400 -5.688919      37.88485 
1 1 1 4   1  19 o 127.311 24.743 3.5690  1.2859 3.3831  1.8031  3.7613  1.8344 123.715 33.564 130.129 33.184 -6.413681      47.19875 
1 1 1 4   1  20 o 196.326 19.377 8.2723  1.5901 9.3553  2.2222  7.1360  2.2761 207.917 25.792 180.212 30.938 27.70547       40.27895 
1 1 1 4   1  21 o 527.723 23.680 59.401  5.2922 55.997  7.4331  62.900  7.5365 509.144 34.680 540.209 33.103 -31.06509      47.94279 
1 1 1 4   1  22 o 599.498 22.963 76.761  5.8299 77.525  8.2500  75.999  8.2395 599.008 32.645 592.960 32.942 6.048157       46.37736 
1 1 1 4   1  23 o 292.573 17.564 18.299  2.1661 20.494  3.0166  15.963  3.1123 308.627 23.251 271.238 27.474 37.38852       35.99200 
1 1 1 4   1  24 o 220.098 19.476 10.424  1.7966 10.423  2.5491  10.425  2.5324 218.198 28.250 218.268 28.046 -0.6974792E-01 39.80715 
1 1 1 4   1  25 o 121.603 30.011 3.3350  1.5361 1.0575  2.8986  4.2244  1.8113 102.965 42.032 136.660 31.881 -33.69520      52.75501 
1 1 1 4   1  26 o 356.262 20.500 27.340  3.0799 29.158  5.4484  26.487  3.7337 361.727 36.047 349.043 25.434 12.68311       44.11644 
1 1 1 4   1  27 o 210.605 23.890 9.7121  2.0930 11.674  3.7501  8.8242  2.5225 224.794 40.899 198.390 31.041 26.40410       51.34462 
1 1 1 4   1  28 o 375.573 26.173 30.934  4.1368 27.222  5.7973  34.786  5.9049 344.049 40.569 392.590 35.914 -48.54150      54.18190 
1 1 1 4   2  0  o 887.673 22.869 167.690 8.5970 161.951 12.115  173.512 12.202 870.021 32.880 900.789 31.986 -30.76746      45.87170 
1 1 1 4   2  1  o 635.727 15.360 85.775  4.1352 86.274  5.8318  85.271  5.8644 636.849 21.623 633.102 21.873 3.746521       30.75696 
1 1 1 4   2  2  o 711.360 15.644 107.417 4.7129 105.004 6.6503  109.852 6.6800 702.416 22.356 718.512 21.953 -16.09637      31.33305 
1 1 1 4   2  3  o 806.283 16.008 138.030 5.4659 141.306 7.7152  134.730 7.7446 814.737 22.361 795.434 22.991 19.30347       32.07151 
1 1 1 4   2  4  o 272.849 15.313 15.855  1.7622 16.020  2.4843  15.689  2.5001 273.487 21.626 270.571 22.010 2.916107       30.85634 
1 1 1 4   2  5  o 321.840 15.290 21.997  2.0840 21.178  2.9397  22.825  2.9548 314.510 22.214 326.681 21.477 -12.17078      30.89873 
1 1 1 4   2  6  o 733.430 22.575 114.722 7.0119 118.697 9.9554  110.809 9.8778 743.478 31.619 718.071 32.483 25.40723       45.33075 
1 1 1 4   2  7  o 389.982 17.747 32.370  2.9310 32.267  3.5803  32.578  5.1034 388.246 21.865 387.931 31.332 0.3150940      38.20664 
1 1 1 4   2  8  o 271.922 18.243 15.815  2.0886 17.858  2.5716  11.855  3.5802 288.549 21.193 231.021 37.910 57.52814       43.43144 
1 1 1 4   2  9  o 533.738 15.593 60.555  3.5246 60.971  4.9805  60.138  4.9885 534.545 22.001 530.845 22.190 3.699463       31.24813 
1 1 1 4   2  10 o 872.045 16.548 161.622 6.1111 160.276 8.6278  162.978 8.6571 866.776 23.504 874.082 23.387 -7.306152      33.15757 
1 1 1 4   2  11 o 507.272 15.684 54.630  3.3692 51.561  4.7512  57.735  4.7785 492.100 22.799 520.869 21.663 -28.76862      31.44957 
1 1 1 4   2  12 o 728.088 16.158 112.492 4.9822 110.226 7.0258  114.783 7.0663 719.917 23.045 734.693 22.711 -14.77631      32.35511 
1 1 1 4   2  13 o 485.617 15.853 50.020  3.2603 49.123  4.5885  50.935  4.6334 480.820 22.535 489.626 22.345 -8.806519      31.73523 
1 1 1 4   2  14 o 586.718 22.874 73.131  5.6835 87.805  8.1413  59.180  7.9379 642.145 29.938 525.348 35.894 116.7973       46.74010 
1 1 1 4   2  15 o 382.049 22.711 31.120  3.6580 32.400  5.1666  29.833  5.1799 388.630 31.668 372.568 33.177 16.06241       45.86456 
1 1 1 4   2  16 o 781.223 33.142 130.255 10.965 0.0000  0.0000  130.255 10.965 ?       ?      781.223 33.142 0.000000       33.14189 
1 1 1 4   2  17 o 655.286 16.363 91.123  4.5408 94.496  6.3950  87.693  6.4488 666.636 22.652 642.061 23.717 24.57513       32.79646 
1 1 1 4   2  18 o 416.117 16.236 36.752  2.8611 37.382  4.0430  36.119  4.0495 418.563 22.895 411.351 23.342 7.211853       32.69595 
1 1 1 4   2  19 o 473.077 16.310 47.509  3.2675 46.715  4.5930  48.322  4.6494 468.508 23.149 476.511 23.040 -8.003815      32.66076 
1 1 1 4   2  20 o 540.781 18.953 62.157  4.3404 67.923  7.6454  59.415  5.2725 562.420 32.234 528.176 23.572 34.24426       39.93303 
1 1 1 4   2  21 o 269.358 25.705 15.633  2.8966 16.491  4.0166  14.704  4.1812 274.680 35.350 258.103 39.510 16.57715       53.01589 
1 1 1 4   2  22 o 413.821 23.241 36.697  4.0564 40.346  5.7581  33.102  5.7155 431.828 31.708 389.987 34.978 41.84055       47.21112 
1 1 1 4   2  23 o 195.114 23.448 8.2613  1.8987 10.510  3.2057  7.0460  2.3564 217.349 36.094 177.960 32.464 39.38863       48.54555 
1 1 1 4   2  24 o 347.630 20.375 25.915  2.9865 27.554  5.4116  25.197  3.5812 353.677 36.663 341.697 24.920 11.97977       44.33044 
1 1 1 4   2  25 o 341.339 20.468 25.052  2.9451 23.939  5.2825  25.554  3.5475 327.258 38.877 343.625 24.539 -16.36734      45.97369 
1 1 1 4   2  26 o 381.003 20.223 31.244  3.2513 28.031  5.7717  32.738  3.9350 352.971 39.278 388.749 24.019 -35.77814      46.04008 
1 1 1 4   2  27 o 310.639 21.193 20.879  2.7713 21.820  4.9227  20.443  3.3532 310.404 38.258 305.663 26.156 4.740875       46.34441 
1 1 1 4   2  28 o 93.708  35.061 1.5650  1.8752 2.7094  2.6360  0.3924  2.6682 115.782 41.865 92.367  39.207 23.41534       57.35732 
1 1 1 4   3  0  o 741.920 17.831 116.915 5.6025 114.101 6.8417  122.641 9.7609 732.341 22.060 757.645 30.421 -25.30347      37.57797 
1 1 1 4   3  1  o 432.009 14.807 39.605  2.7090 38.650  3.8084  40.582  3.8542 426.296 21.096 436.841 20.834 -10.54529      29.64910 
1 1 1 4   3  2  o 1416.08 18.574 426.115 11.139 429.646 15.708  422.544 15.797 1419.47 26.131 1407.55 26.501 11.92139       37.21792 
1 1 1 4   3  3  f 863.072 16.134 158.171 5.8970 161.465 8.3163  154.840 8.3632 870.850 22.550 852.668 23.161 18.18231       32.32494 
1 1 1 4   3  4  o 210.737 15.478 9.4801  1.3717 9.1636  1.9285  9.8043  1.9515 206.232 22.443 213.487 21.895 -7.254272      31.35419 
1 1 1 4   3  5  o 392.607 15.136 32.734  2.5165 30.300  3.5382  35.226  3.5800 376.439 22.293 406.217 20.881 -29.77771      30.54528 
1 1 1 4   3  6  o 481.654 21.725 49.456  4.4313 51.600  6.2949  47.349  6.2390 489.476 30.520 468.503 31.631 20.97342       43.95414 
1 1 1 4   3  7  f 275.436 22.066 16.294  2.5523 15.360  3.5590  17.283  3.6622 265.192 32.362 281.806 31.211 -16.61371      44.95992 
1 1 1 4   3  8  o 358.436 15.406 27.314  2.3386 27.318  3.3046  27.311  3.3098 357.061 21.961 357.007 21.999 0.5416870E-01  31.08434 
1 1 1 4   3  9  o 154.984 17.995 5.1800  1.1591 5.8153  1.6171  4.5088  1.6622 163.263 24.115 142.551 28.530 20.71210       37.35642 
1 1 1 4   3  10 o 872.180 16.554 161.665 6.1145 160.025 8.6197  163.327 8.6750 866.138 23.500 875.054 23.409 -8.915527      33.16972 
1 1 1 4   3  11 o 520.969 15.722 57.619  3.4687 59.030  4.9075  56.209  4.9036 526.660 22.003 513.856 22.534 12.80432       31.49451 
1 1 1 4   3  12 o 351.780 15.815 26.257  2.3561 26.872  3.3360  25.645  3.3281 354.827 22.314 346.532 22.806 8.295135       31.90653 
1 1 1 4   3  13 o 480.417 15.785 48.953  3.2115 45.643  4.5267  52.308  4.5570 463.446 23.064 496.234 21.685 -32.78824      31.65733 
1 1 1 4   3  14 o 369.113 18.566 28.984  2.8929 30.492  3.5350  25.926  5.0337 378.251 22.165 346.911 34.730 31.34003       41.19974 
1 1 1 4   3  15 o 474.101 31.658 48.118  6.3196 48.118  6.3196  0.0000  0.0000 474.101 31.658 ?       ?      0.000000       31.65782 
1 1 1 4   3  16 o 388.964 18.841 32.118  3.1036 31.462  5.3985  32.443  3.7930 382.442 33.676 389.996 23.068 -7.554230      40.81924 
1 1 1 4   3  17 o 720.401 16.433 110.136 5.0135 108.881 7.0860  111.395 7.0944 715.467 23.387 723.714 23.147 -8.246643      32.90499 
1 1 1 4   3  18 o 835.812 16.830 148.301 5.9572 144.896 8.4120  151.727 8.4375 825.055 24.075 844.366 23.596 -19.31091      33.71061 
1 1 1 4   3  19 o 579.195 18.860 71.275  4.6261 73.798  8.0734  70.041  5.6447 586.500 32.634 573.659 23.235 12.84094       40.06012 
1 1 1 4   3  20 o 1168.84 21.094 290.646 10.441 291.632 18.197  290.161 12.749 1165.22 36.877 1166.51 25.807 -1.289185      45.00995 
1 1 1 4   3  21 o 617.291 23.621 81.282  6.1749 89.158  8.7637  73.518  8.7020 644.499 32.109 583.388 35.389 61.11053       47.78468 
1 1 1 4   3  22 o 368.872 33.598 29.582  5.1909 0.0000  0.0000  29.582  5.1909 ?       ?      368.872 33.598 0.000000       33.59771 
1 1 1 4   3  23 o 211.511 23.125 9.6833  2.0376 6.5434  3.2971  11.624  2.5918 169.407 45.142 231.132 26.987 -61.72513      52.59418 
1 1 1 4   3  24 o 273.837 20.977 16.128  2.4142 15.923  4.2777  16.224  2.9244 267.144 38.958 273.643 25.531 -6.499451      46.57821 
1 1 1 4   3  25 o 396.953 20.119 33.838  3.3711 31.898  5.8905  34.783  4.1108 379.048 37.174 401.195 24.310 -22.14658      44.41705 
1 1 1 4   3  26 o 205.111 23.690 9.1900  2.0199 7.9721  3.5898  9.7542  2.4435 184.090 46.138 210.118 28.169 -26.02760      54.05728 
1 1 1 4   3  27 o 324.264 20.761 22.726  2.8361 21.710  5.0343  23.199  3.4326 308.977 39.368 326.141 25.044 -17.16357      46.65894 
1 1 1 4   3  28 o 243.089 43.634 13.909  4.3269 13.909  4.3269  0.0000  0.0000 243.089 43.634 ?       ?      0.000000       43.63401 
1 1 1 4   4  0  o 1111.81 23.616 263.186 11.119 277.884 15.668  248.272 15.783 1139.67 32.464 1076.47 34.621 63.19446       47.46051 
1 1 1 4   4  1  o 891.776 18.395 168.969 6.9472 173.598 11.963  166.613 8.5335 900.990 31.353 884.735 22.776 16.25507       38.75220 
1 1 1 4   4  2  o 820.918 18.210 143.192 6.3308 139.059 10.896  145.298 7.7783 806.103 31.918 826.233 22.230 -20.13037      38.89664 
1 1 1 4   4  3  o 707.646 17.927 106.409 5.3724 104.961 9.2660  107.142 6.5939 700.310 31.243 709.458 21.947 -9.148193      38.18140 
1 1 1 4   4  4  f 432.832 17.333 39.810  3.1772 40.689  5.4924  39.368  3.8951 435.051 29.994 430.024 21.388 5.027374       36.83923 
1 1 1 4   4  5  o 378.831 15.123 30.479  2.4261 28.312  3.4118  32.695  3.4507 363.821 22.251 391.285 20.900 -27.46432      30.52707 
1 1 1 4   4  6  o 398.647 21.707 33.982  3.6508 33.336  5.1133  34.653  5.2144 392.849 30.986 400.583 30.978 -7.733856      43.81540 
1 1 1 4   4  7  o 336.031 21.859 24.198  3.0937 20.938  4.2942  27.717  4.4609 309.957 33.233 358.009 29.691 -48.05154      44.56408 
1 1 1 4   4  8  o 616.051 15.696 80.701  4.0950 75.511  5.7509  86.039  5.8324 594.518 22.842 634.883 21.693 -40.36566      31.50104 
1 1 1 4   4  9  o 344.978 15.725 25.298  2.2974 25.422  3.2138  25.168  3.2854 344.475 22.148 342.627 22.772 1.848389       31.76600 
1 1 1 4   4  10 o 1051.05 17.238 234.829 7.6730 238.075 10.833  231.562 10.869 1056.29 24.218 1041.60 24.641 14.68970       34.54967 
1 1 1 4   4  11 o 524.802 15.738 58.467  3.4977 62.192  4.9507  54.754  4.9422 540.654 21.622 507.133 23.012 33.52139       31.57666 
1 1 1 4   4  12 o 487.717 15.741 50.468  3.2511 48.604  4.5829  52.356  4.6129 478.118 22.634 496.291 21.948 -18.17221      31.52788 
1 1 1 4   4  13 o 961.827 19.691 196.398 8.0205 191.012 13.962  199.051 9.7985 945.930 34.854 967.706 23.910 -21.77545      42.26641 
1 1 1 4   4  14 o 360.545 23.006 27.728  3.4944 31.869  5.0067  23.795  4.8794 385.573 30.922 332.108 35.231 53.46487       46.87625 
1 1 1 4   4  15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   4  16 o 293.303 19.379 18.345  2.3936 23.409  4.1403  15.803  2.9334 330.075 29.945 271.314 25.843 58.76028       39.55455 
1 1 1 4   4  17 o 532.063 18.791 60.120  4.2341 61.326  7.3915  59.531  5.1656 534.792 32.795 529.059 23.055 5.733521       40.08808 
1 1 1 4   4  18 o 596.859 18.954 75.680  4.7910 74.191  8.3832  76.402  5.8384 587.922 33.813 599.235 23.007 -11.31342      40.89746 
1 1 1 4   4  19 o 191.450 22.622 7.9064  1.7987 10.144  3.1256  6.7984  2.1993 214.824 35.604 175.911 30.636 38.91249       46.96997 
1 1 1 4   4  20 o 1048.30 20.507 233.742 9.1041 249.834 15.911  225.909 11.101 1079.24 34.813 1029.34 25.466 49.90576       43.13320 
1 1 1 4   4  21 o 727.571 24.015 112.962 7.3996 116.468 10.469  109.461 10.461 736.065 33.584 713.241 34.632 22.82349       48.24154 
1 1 1 4   4  22 f 249.558 37.498 13.776  3.8405 0.0000  0.0000  13.776  3.8405 ?       ?      249.558 37.498 0.000000       37.49816 
1 1 1 4   4  23 o 514.759 19.268 56.525  4.2004 50.981  7.2155  59.366  5.1660 483.416 35.493 526.675 23.162 -43.25894      42.38204 
1 1 1 4   4  24 o 399.995 19.551 34.177  3.3118 37.890  5.9439  32.505  3.9883 416.219 34.019 388.421 24.369 27.79807       41.84656 
1 1 1 4   4  25 o 474.065 19.660 48.126  3.9470 52.485  7.0262  46.116  4.7710 488.504 34.178 462.031 24.471 26.47342       42.03535 
1 1 1 4   4  26 o 259.628 22.142 14.611  2.4113 16.996  4.4261  13.604  2.8754 273.886 39.285 248.814 27.762 25.07262       48.10469 
1 1 1 4   4  27 o 353.690 20.443 27.011  3.0490 28.752  5.4220  26.205  3.6873 357.760 36.289 346.588 25.296 11.17245       44.23564 
1 1 1 4   4  28 o 498.189 35.657 55.864  7.4731 55.864  7.4731  0.0000  0.0000 498.189 35.657 ?       ?      0.000000       35.65698 
1 1 1 4   5  0  o 348.114 19.970 25.847  2.9317 27.749  4.1077  23.872  4.1854 359.671 27.169 332.945 30.006 26.72620       40.47839 
1 1 1 4   5  1  o 529.704 16.965 59.589  3.8057 62.077  6.5193  58.303  4.6873 538.423 28.695 523.529 21.141 14.89368       35.64200 
1 1 1 4   5  2  o 1375.86 20.989 402.720 12.230 408.071 21.065  400.000 15.020 1378.67 36.078 1369.53 25.898 9.138794       44.41100 
1 1 1 4   5  3  o 325.385 17.083 22.554  2.3457 20.973  4.0257  23.366  2.8864 311.563 30.919 330.755 20.711 -19.19165      37.21472 
1 1 1 4   5  4  o 659.837 17.783 92.544  4.9691 94.386  8.5421  91.602  6.1092 663.939 30.380 655.805 21.997 8.133789       37.50768 
1 1 1 4   5  5  f 59.973  22.110 0.6021  0.7404 1.0629  1.2064  0.3238  0.9377 77.827  28.294 59.525  24.051 18.30210       37.13485 
1 1 1 4   5  6  o 723.205 22.253 111.578 6.8155 110.252 9.6352  112.906 9.6421 716.133 31.770 724.825 31.412 -8.691650      44.67737 
1 1 1 4   5  7  o 406.762 31.583 35.822  5.3977 0.0000  0.0000  35.822  5.3977 ?       ?      406.762 31.583 0.000000       31.58250 
1 1 1 4   5  8  o 332.655 18.139 23.633  2.5457 18.333  4.3361  26.421  3.1448 288.895 36.239 351.250 21.241 -62.35416      42.00558 
1 1 1 4   5  9  o 563.755 18.114 67.641  4.3247 56.241  7.4065  73.537  5.3272 509.560 34.526 587.221 21.422 -77.66119      40.63169 
1 1 1 4   5  10 o 437.657 18.100 40.729  3.3548 38.167  5.7717  42.037  4.1228 420.465 32.670 444.193 21.917 -23.72836      39.34076 
1 1 1 4   5  11 o 299.177 18.779 19.094  2.3672 17.810  4.0453  19.762  2.9191 286.423 34.015 303.859 22.852 -17.43549      40.97875 
1 1 1 4   5  12 o 534.243 18.357 60.596  4.1531 56.295  7.1493  62.787  5.1023 512.363 33.126 543.484 22.168 -31.12146      39.85957 
1 1 1 4   5  13 o 643.118 18.623 87.780  5.0720 89.949  8.8054  86.703  6.2047 649.559 32.010 638.779 22.936 10.77911       39.37926 
1 1 1 4   5  14 o 342.564 32.485 25.235  4.6563 25.235  4.6563  0.0000  0.0000 342.564 32.485 ?       ?      0.000000       32.48473 
1 1 1 4   5  15 o 660.532 32.508 93.043  9.0935 0.0000  0.0000  93.043  9.0935 ?       ?      660.532 32.508 0.000000       32.50812 
1 1 1 4   5  16 o 1059.15 20.311 238.267 9.1103 237.026 15.826  238.882 11.142 1053.07 35.486 1059.71 24.826 -6.636353      43.30860 
1 1 1 4   5  17 o 338.336 19.224 24.392  2.7430 27.508  4.8371  22.915  3.3303 357.441 32.304 327.280 24.200 30.16104       40.36319 
1 1 1 4   5  18 o 478.661 18.875 48.674  3.8261 57.590  6.7164  44.390  4.6553 518.374 30.732 456.004 24.193 62.36960       39.11192 
1 1 1 4   5  19 o 762.858 19.431 123.676 6.2774 127.438 10.881  121.800 7.6853 771.654 33.297 756.325 23.994 15.32892       41.04179 
1 1 1 4   5  20 o 1011.60 20.400 217.667 8.7393 198.506 15.160  227.204 10.695 960.997 37.251 1032.50 24.460 -71.50439      44.56358 
1 1 1 4   5  21 o 1106.89 25.665 261.789 12.031 266.137 17.080  257.507 16.949 1111.06 36.300 1092.72 36.626 18.33801       51.56701 
1 1 1 4   5  22 o 357.630 24.715 27.492  3.7202 0.0000  0.0000  27.492  3.7202 ?       ?      357.630 24.715 0.000000       24.71475 
1 1 1 4   5  23 o 593.195 19.337 75.074  4.8578 67.145  8.3619  79.113  5.9682 554.899 35.774 607.944 23.181 -53.04431      42.62807 
1 1 1 4   5  24 o 431.365 19.639 39.757  3.5876 33.057  6.2733  43.012  4.3734 386.614 38.841 447.323 23.166 -60.70847      45.22434 
1 1 1 4   5  25 o 323.755 20.768 22.568  2.8324 17.788  4.9438  24.904  3.4558 279.471 43.162 339.180 24.218 -59.70859      49.49186 
1 1 1 4   5  26 o 451.915 19.811 43.827  3.7916 55.490  6.7977  38.559  4.5682 502.180 32.132 421.244 25.731 80.93610       41.16501 
1 1 1 4   5  27 o 307.025 20.765 20.393  2.6840 18.970  4.6350  21.110  3.2922 288.568 38.921 310.863 25.225 -22.29593      46.38013 
1 1 1 4   5  28 o 137.755 33.938 4.3908  1.9670 4.6041  2.9724  4.2246  2.6235 140.752 44.520 135.084 41.689 5.667603       60.99196 
1 1 1 4   6  0  o 701.487 20.510 104.649 6.0931 104.350 8.4660  104.970 8.7764 699.058 28.597 700.931 29.566 -1.872620      41.13320 
1 1 1 4   6  1  o 1046.00 22.878 232.956 10.134 223.901 14.199  242.357 14.468 1022.50 32.792 1064.06 32.108 -41.55530      45.89325 
1 1 1 4   6  2  o 747.229 21.560 118.831 6.8227 118.976 9.6049  118.684 9.6932 745.813 30.410 744.817 30.731 0.9962769      43.23365 
1 1 1 4   6  3  o 809.457 22.101 139.526 7.5763 139.780 10.658  139.267 10.772 807.949 31.150 806.351 31.544 1.597656       44.33215 
1 1 1 4   6  4  o 282.223 17.325 16.992  2.0607 18.360  3.5300  16.285  2.5380 291.534 28.976 275.638 21.924 15.89606       36.33503 
1 1 1 4   6  5  o 360.648 17.259 27.655  2.6360 30.137  4.5292  26.384  3.2417 374.039 28.815 351.149 21.908 22.88974       36.19743 
1 1 1 4   6  6  o 745.187 22.258 118.500 7.0241 125.796 9.9591  111.277 9.9084 765.107 30.736 718.963 32.543 46.14423       44.76314 
1 1 1 4   6  7  o 591.721 31.661 75.601  7.9051 0.0000  0.0000  75.601  7.9051 ?       ?      591.721 31.661 0.000000       31.66100 
1 1 1 4   6  8  o 599.541 18.004 76.530  4.5712 76.810  7.8607  76.387  5.6190 596.595 31.221 598.132 22.183 -1.537231      38.29934 
1 1 1 4   6  9  o 541.841 17.993 62.475  4.1287 54.944  7.0688  66.375  5.0865 504.078 33.301 557.900 21.529 -53.82260      39.65393 
1 1 1 4   6  10 o 909.370 19.288 175.919 7.4280 166.963 12.797  180.470 9.1219 881.517 34.280 920.047 23.412 -38.53040      41.51143 
1 1 1 4   6  11 o 278.750 18.959 16.586  2.2247 16.111  3.7661  16.841  2.7573 272.409 33.341 280.302 23.443 -7.893402      40.75808 
1 1 1 4   6  12 o 769.410 18.882 125.695 6.1524 123.374 10.626  126.866 7.5459 760.139 33.008 772.464 23.067 -12.32550      40.26955 
1 1 1 4   6  13 o 762.683 23.120 123.604 7.4676 124.998 10.558  122.208 10.564 765.648 32.561 756.993 32.952 8.654297       46.32572 
1 1 1 4   6  14 o 511.727 22.687 55.632  4.9164 55.081  6.8984  56.200  7.0087 507.329 32.276 512.445 32.463 -5.116486      45.77781 
1 1 1 4   6  15 o 958.949 34.438 196.298 13.986 0.0000  0.0000  196.298 13.986 ?       ?      958.949 34.438 0.000000       34.43842 
1 1 1 4   6  16 o 826.523 19.376 145.065 6.7822 140.843 11.756  147.172 8.3036 811.965 34.187 831.936 23.568 -19.97070      41.52393 
1 1 1 4   6  17 o 371.793 23.517 29.524  3.6837 28.716  5.2000  30.337  5.2192 364.922 34.041 375.326 33.178 -10.40436      47.53490 
1 1 1 4   6  18 f 409.767 18.868 35.672  3.2741 37.463  5.6488  34.766  4.0179 417.405 32.205 403.470 23.618 13.93454       39.93720 
1 1 1 4   6  19 o 664.932 19.046 93.952  5.3632 86.365  9.2814  97.756  6.5714 634.007 34.700 677.724 22.896 -43.71643      41.57277 
1 1 1 4   6  20 o 772.196 19.432 126.792 6.3547 118.586 11.012  130.888 7.7808 743.313 34.984 783.825 23.440 -40.51178      42.11086 
1 1 1 4   6  21 o 221.641 37.646 10.886  3.4071 10.886  3.4071  0.0000  0.0000 221.641 37.646 ?       ?      0.000000       37.64592 
1 1 1 4   6  22 o 410.739 24.037 36.205  4.1629 0.0000  0.0000  36.205  4.1629 ?       ?      410.739 24.037 0.000000       24.03712 
1 1 1 4   6  23 o 437.590 19.610 40.867  3.6340 34.420  6.3159  44.058  4.4431 395.622 38.171 453.059 23.236 -57.43750      44.68694 
1 1 1 4   6  24 o 325.684 20.194 22.763  2.7715 22.175  4.8395  23.050  3.3809 316.625 36.777 326.690 24.618 -10.06540      44.25587 
1 1 1 4   6  25 o 456.468 19.728 44.642  3.8135 41.682  6.6227  46.110  4.6645 433.685 36.396 462.061 23.919 -28.37604      43.55225 
1 1 1 4   6  26 o 465.714 19.917 46.557  3.9281 39.468  6.8555  50.022  4.7929 419.263 39.061 481.451 23.507 -62.18842      45.58857 
1 1 1 4   6  27 o 426.968 19.874 39.224  3.5936 45.551  6.3619  36.259  4.3549 452.541 33.432 407.775 25.344 44.76593       41.95269 
1 1 1 4   6  28 o 162.117 31.761 6.0037  2.1026 6.4681  3.3208  5.6930  2.7164 164.099 45.957 155.197 40.794 8.902344       61.45068 
1 1 1 4   7  0  o 596.972 19.651 75.771  4.9679 77.920  6.9229  73.490  7.1332 604.271 27.053 586.555 28.716 17.71515       39.45235 
1 1 1 4   7  1  o 510.078 19.806 55.328  4.2783 53.565  5.9368  57.232  6.1708 500.028 28.150 516.884 28.298 -16.85596      39.91511 
1 1 1 4   7  2  o 368.807 20.080 29.018  3.1245 26.875  4.3587  31.283  4.4812 353.345 29.395 381.690 27.916 -28.34546      40.53906 
1 1 1 4   7  3  o 665.117 21.216 94.180  5.9760 91.368  8.4033  97.058  8.5002 653.264 30.375 673.435 29.805 -20.17096      42.55575 
1 1 1 4   7  4  o 274.820 21.239 16.181  2.4527 15.027  3.4091  17.419  3.5314 262.951 31.224 283.660 29.845 -20.70938      43.19310 
1 1 1 4   7  5  o 418.560 29.783 37.755  5.2447 37.755  5.2447  0.0000  0.0000 418.560 29.783 ?       ?      0.000000       29.78277 
1 1 1 4   7  6  o 857.751 22.810 157.127 8.2857 158.100 11.677  156.140 11.760 856.797 32.180 851.273 32.620 5.524597       45.82153 
1 1 1 4   7  7  o 556.552 31.364 66.897  7.3622 0.0000  0.0000  66.897  7.3622 ?       ?      556.552 31.364 0.000000       31.36394 
1 1 1 4   7  8  o 455.409 17.805 44.148  3.4339 45.679  5.8951  43.362  4.2246 459.955 30.436 450.688 22.134 9.267242       37.63369 
1 1 1 4   7  9  o 523.218 18.011 58.245  3.9909 57.235  6.8808  58.757  4.8992 515.160 31.693 524.890 22.040 -9.730164      38.60335 
1 1 1 4   7  10 o 593.006 18.182 74.758  4.5662 76.956  7.8826  73.649  5.6017 598.566 31.205 587.969 22.497 10.59698       38.46892 
1 1 1 4   7  11 o 531.748 18.163 60.057  4.0900 61.897  7.0501  59.124  5.0214 537.356 31.114 527.167 22.492 10.18927       38.39223 
1 1 1 4   7  12 o 776.713 18.831 128.083 6.1940 124.284 10.664  130.017 7.6093 763.012 33.001 782.048 22.976 -19.03583      40.21135 
1 1 1 4   7  13 o 1443.62 27.053 443.409 16.539 416.955 23.385  469.884 23.395 1396.10 39.553 1482.92 37.253 -86.81836      54.33443 
1 1 1 4   7  14 o 879.943 23.787 164.556 8.8642 162.863 12.489  166.276 12.584 873.787 33.749 882.912 33.655 -9.125305      47.66177 
1 1 1 4   7  15 o 522.193 33.010 58.404  7.2624 0.0000  0.0000  58.404  7.2624 ?       ?      522.193 33.010 0.000000       33.01020 
1 1 1 4   7  16 o 824.725 19.315 144.441 6.7459 141.100 11.617  146.141 8.2863 812.721 33.751 828.973 23.603 -16.25275      41.18587 
1 1 1 4   7  17 o 528.445 22.967 59.402  5.1398 65.919  7.3061  53.017  7.2321 554.744 31.226 496.630 34.603 58.11414       46.60905 
1 1 1 4   7  18 o 1106.18 20.629 260.142 9.6637 254.405 16.695  263.032 11.851 1089.40 36.188 1111.22 25.183 -21.82349      44.08765 
1 1 1 4   7  19 o 525.705 18.987 58.728  4.2270 52.548  7.2712  61.883  5.1950 493.978 34.984 539.223 22.750 -45.24503      41.73057 
1 1 1 4   7  20 o 901.651 19.833 172.917 7.5731 156.002 13.035  181.536 9.3045 852.007 36.126 922.939 23.806 -70.93225      43.26407 
1 1 1 4   7  21 o 615.809 33.658 81.850  8.7445 81.850  8.7445  0.0000  0.0000 615.809 33.658 ?       ?      0.000000       33.65821 
1 1 1 4   7  22 o 322.887 25.078 22.454  3.4022 0.0000  0.0000  22.454  3.4022 ?       ?      322.887 25.078 0.000000       25.07786 
1 1 1 4   7  23 o 565.681 19.341 68.288  4.6333 72.099  8.1134  66.443  5.6441 575.935 33.409 556.842 23.934 19.09308       41.09720 
1 1 1 4   7  24 o 430.568 19.677 39.627  3.5880 33.966  6.2632  42.392  4.3775 391.912 38.223 443.895 23.368 -51.98322      44.80065 
1 1 1 4   7  25 o 227.125 22.537 11.199  2.1391 11.359  3.6202  11.113  2.6515 223.311 39.737 224.615 28.517 -1.304581      48.91080 
1 1 1 4   7  26 o 256.783 22.014 14.298  2.3707 13.508  4.1677  14.675  2.8825 242.252 42.156 258.780 26.685 -16.52832      49.89190 
1 1 1 4   7  27 o 478.164 25.034 49.803  5.0516 50.622  7.0601  48.944  7.2311 475.638 35.302 466.500 36.904 9.138184       51.06988 
1 1 1 4   7  28 f 113.769 35.556 2.9126  1.9017 3.4042  2.8505  2.5183  2.5528 125.399 43.711 112.662 41.128 12.73767       60.01762 
1 1 1 4   8  0  o 272.254 18.597 15.828  2.1313 15.875  2.9778  15.777  3.0520 271.552 26.220 270.569 26.996 0.9836426      37.63297 
1 1 1 4   8  1  o 1087.63 22.462 251.913 10.346 252.080 14.459  251.739 14.811 1085.03 31.466 1083.99 32.265 1.043945       45.06782 
1 1 1 4   8  2  o 710.282 20.707 107.368 6.2287 107.438 8.6619  107.292 8.9632 708.831 28.855 708.099 29.890 0.7322388      41.54554 
1 1 1 4   8  3  o 871.829 21.901 161.918 8.0859 163.582 11.330  160.191 11.544 873.793 30.617 864.381 31.536 9.411743       43.95350 
1 1 1 4   8  4  o 378.181 20.639 30.550  3.2930 31.039  4.5948  30.034  4.7217 379.658 28.793 373.125 30.139 6.532684       41.68155 
1 1 1 4   8  5  f 397.611 29.831 34.112  4.9865 34.112  4.9865  0.0000  0.0000 397.611 29.831 ?       ?      0.000000       29.83102 
1 1 1 4   8  6  o 514.900 30.686 57.227  6.6609 0.0000  0.0000  57.227  6.6609 ?       ?      514.900 30.686 0.000000       30.68634 
1 1 1 4   8  7  o 687.010 22.070 100.790 6.4210 106.090 9.0523  95.423  9.1093 702.176 30.442 665.261 32.333 36.91522       44.40859 
1 1 1 4   8  8  o 477.417 21.771 48.638  4.4017 44.573  6.1706  52.850  6.2809 453.841 32.317 495.050 30.102 -41.20813      44.16439 
1 1 1 4   8  9  o 689.769 18.290 101.224 5.3427 97.188  9.1727  103.296 6.5727 672.543 32.206 695.993 22.300 -23.45020      39.17239 
1 1 1 4   8  10 f 476.334 18.096 48.224  3.6504 46.961  6.2628  48.874  4.4925 467.183 31.845 479.089 22.143 -11.90607      38.78640 
1 1 1 4   8  11 f 337.144 18.655 24.217  2.6532 23.692  4.5268  24.491  3.2747 331.347 32.686 338.523 22.978 -7.175720      39.95427 
1 1 1 4   8  12 o 605.907 18.289 77.927  4.6928 72.930  8.0874  80.464  5.7621 583.666 32.853 615.343 22.112 -31.67700      39.60065 
1 1 1 4   8  13 o 1048.33 24.366 233.613 10.817 228.199 15.293  239.035 15.303 1034.01 34.924 1058.46 34.140 -24.45178      48.83909 
1 1 1 4   8  14 o 1223.12 36.615 319.568 18.966 0.0000  0.0000  319.568 18.966 ?       ?      1223.12 36.615 0.000000       36.61548 
1 1 1 4   8  15 o 1180.95 35.902 298.008 17.955 0.0000  0.0000  298.008 17.955 ?       ?      1180.95 35.902 0.000000       35.90190 
1 1 1 4   8  16 o 537.557 18.582 61.356  4.2302 67.080  7.2887  58.448  5.1947 559.896 30.859 524.245 23.398 35.65051       38.72622 
1 1 1 4   8  17 o 762.320 23.503 123.655 7.5875 129.733 10.728  117.571 10.732 779.099 32.516 741.319 34.186 37.78040       47.18014 
1 1 1 4   8  18 o 1908.94 25.463 776.396 20.585 784.733 35.618  772.215 25.224 1907.45 44.093 1900.78 31.335 6.666870       54.09318 
1 1 1 4   8  19 o 625.412 19.120 83.127  5.0641 80.800  8.6771  84.330  6.2363 613.377 33.531 629.344 23.399 -15.96661      40.88840 
1 1 1 4   8  20 o 619.108 19.094 81.510  5.0062 71.870  8.5871  86.473  6.1616 577.342 35.291 637.091 22.837 -59.74927      42.03540 
1 1 1 4   8  21 f 834.536 24.062 148.753 8.5041 144.387 12.015  153.135 12.038 818.413 34.668 843.248 33.709 -24.83459      48.35462 
1 1 1 4   8  22 o 363.683 24.459 28.438  3.7452 0.0000  0.0000  28.438  3.7452 ?       ?      363.683 24.459 0.000000       24.45943 
1 1 1 4   8  23 o 226.805 22.264 11.110  2.1109 11.207  3.6656  11.061  2.5820 223.138 40.272 225.120 27.665 -1.982040      48.85910 
1 1 1 4   8  24 o 407.807 19.677 35.557  3.3983 41.076  6.0142  32.969  4.1189 433.391 33.017 390.764 25.021 42.62689       41.42656 
1 1 1 4   8  25 o 345.784 20.169 25.730  2.9406 28.075  5.1324  24.583  3.5879 355.969 34.478 336.400 25.372 19.56909       42.80727 
1 1 1 4   8  26 o 378.274 20.272 30.826  3.2357 29.347  5.6424  31.551  3.9496 361.759 37.368 381.184 24.598 -19.42413      44.73746 
1 1 1 4   8  27 o 119.922 34.393 3.2835  1.8373 4.3782  2.4521  1.8821  2.7744 137.391 39.828 108.156 42.103 29.23542       57.95679 
1 1 1 4   8  28 o 147.767 33.407 5.0437  2.0415 6.3955  3.0944  4.0018  2.7165 163.517 43.804 132.211 42.640 31.30595       61.13078 
1 1 1 4   9  0  o 563.080 18.722 67.406  4.4644 69.200  6.2246  65.506  6.4064 569.495 25.810 553.833 27.314 15.66180       37.57940 
1 1 1 4   9  1  o 639.670 19.571 87.035  5.3017 87.560  7.3958  86.480  7.6039 640.232 27.278 636.075 28.228 4.156555       39.25429 
1 1 1 4   9  2  o 453.056 19.361 43.665  3.7147 41.484  5.1561  46.020  5.3564 439.653 27.837 463.241 27.426 -23.58798      39.07770 
1 1 1 4   9  3  o 454.121 19.894 43.897  3.8259 43.895  5.2892  43.900  5.5409 452.165 27.756 451.883 29.109 0.2820740      40.22070 
1 1 1 4   9  4  o 126.950 31.639 3.5966  1.6949 3.5966  1.6949  0.0000  0.0000 126.950 31.639 ?       ?      0.000000       31.63929 
1 1 1 4   9  5  o 156.887 34.254 5.5095  2.2120 5.5095  2.2120  0.0000  0.0000 156.887 34.254 ?       ?      0.000000       34.25379 
1 1 1 4   9  6  o 195.384 34.351 8.4757  2.7385 0.0000  0.0000  8.4757  2.7385 ?       ?      195.384 34.351 0.000000       34.35067 
1 1 1 4   9  7  o 675.097 21.932 97.322  6.2702 94.076  8.7992  100.671 8.9373 660.819 31.442 683.801 30.863 -22.98224      44.05819 
1 1 1 4   9  8  o 939.861 23.310 188.678 9.2778 182.017 13.036  195.516 13.208 918.891 33.498 952.736 32.735 -33.84454      46.83686 
1 1 1 4   9  9  o 468.262 21.935 46.733  4.3498 48.741  6.1678  44.746  6.1355 475.769 30.777 455.455 32.013 20.31332       44.40794 
1 1 1 4   9  10 o 781.796 22.874 130.155 7.5730 135.918 10.696  124.361 10.724 796.852 31.696 761.810 33.240 35.04169       45.92939 
1 1 1 4   9  11 o 327.268 18.785 22.822  2.5926 21.053  4.4488  23.732  3.1903 311.933 34.241 333.273 22.740 -21.34015      41.10404 
1 1 1 4   9  12 o 445.148 18.288 42.059  3.4475 41.613  5.9418  42.286  4.2328 440.550 32.068 445.510 22.508 -4.959656      39.17866 
1 1 1 4   9  13 o 885.821 23.444 166.749 8.7947 165.664 12.447  167.831 12.428 881.321 33.349 887.116 33.082 -5.795166      46.97391 
1 1 1 4   9  14 o 409.958 32.235 36.050  5.5513 0.0000  0.0000  36.050  5.5513 ?       ?      409.958 32.235 0.000000       32.23515 
1 1 1 4   9  15 o 1295.16 26.198 356.961 14.369 0.0000  0.0000  356.961 14.369 ?       ?      1295.16 26.198 0.000000       26.19789 
1 1 1 4   9  16 o 839.598 19.363 149.722 6.8846 151.074 11.873  149.037 8.4504 840.861 33.342 837.016 23.840 3.844788       40.98782 
1 1 1 4   9  17 o 1090.43 25.048 253.204 11.567 248.907 16.275  257.589 16.442 1078.02 35.649 1096.75 35.400 -18.72656      50.23973 
1 1 1 4   9  18 o 1825.85 24.863 710.132 19.225 728.647 33.285  700.864 23.550 1838.82 42.743 1811.07 30.705 27.75549       52.62889 
1 1 1 4   9  19 o 256.171 21.001 14.051  2.2582 13.515  3.8694  14.328  2.7810 248.066 38.047 257.980 25.801 -9.914474      45.96998 
1 1 1 4   9  20 o 744.226 23.730 118.091 7.4791 110.576 10.442  126.007 10.718 717.461 34.367 766.306 33.025 -48.84485      47.66289 
1 1 1 4   9  21 o 606.492 23.409 78.551  6.0125 82.619  8.5307  74.535  8.4755 618.708 32.674 587.023 34.242 31.68488       47.32948 
1 1 1 4   9  22 f 467.355 24.107 46.878  4.7549 0.0000  0.0000  46.878  4.7549 ?       ?      467.355 24.107 0.000000       24.10658 
1 1 1 4   9  23 o 150.939 28.754 5.0665  1.7709 2.8699  3.1429  6.0883  2.1435 124.611 45.613 165.125 31.807 -40.51322      55.60752 
1 1 1 4   9  24 o 443.429 19.608 42.050  3.6822 46.837  6.4218  39.705  4.4944 462.766 32.984 428.928 24.849 33.83725       41.29680 
1 1 1 4   9  25 o 527.394 19.540 59.632  4.3642 60.335  7.6245  59.289  5.3223 522.618 34.646 524.245 23.973 -1.626831      42.13109 
1 1 1 4   9  26 o 255.175 22.019 14.128  2.3562 11.264  4.0043  15.645  2.9140 219.518 44.595 267.371 26.067 -47.85330      51.65488 
1 1 1 4   9  27 o 391.204 25.196 33.431  4.1520 40.678  5.9188  26.410  5.8260 427.164 32.974 338.700 41.484 88.46384       52.99283 
1 1 1 4   9  28 o 177.378 25.745 7.0021  1.8774 6.7407  3.1300  7.1491  2.3464 167.800 43.636 176.887 32.521 -9.086899      54.42199 
1 1 1 4   10 0  o 472.221 18.185 47.407  3.6367 44.921  5.0711  50.040  5.2183 457.946 26.258 483.554 25.573 -25.60745      36.65331 
1 1 1 4   10 1  o 444.440 18.522 42.005  3.4862 42.812  4.8598  41.150  5.0038 447.065 25.778 438.009 27.109 9.055939       37.40841 
1 1 1 4   10 2  o 673.085 19.849 96.428  5.6579 97.790  7.9001  94.994  8.1070 676.194 27.588 666.178 28.736 10.01654       39.83508 
1 1 1 4   10 3  o 349.867 19.724 26.143  2.9105 24.580  3.9776  27.945  4.2701 337.708 28.067 360.192 28.220 -22.48438      39.80048 
1 1 1 4   10 4  o 467.560 28.074 47.014  5.5330 47.014  5.5330  0.0000  0.0000 467.560 28.074 ?       ?      0.000000       28.07365 
1 1 1 4   10 5  o 242.637 31.753 12.885  3.1845 0.0000  0.0000  12.885  3.1845 ?       ?      242.637 31.753 0.000000       31.75287 
1 1 1 4   10 6  o 610.368 30.410 80.170  7.8604 0.0000  0.0000  80.170  7.8604 ?       ?      610.368 30.410 0.000000       30.40965 
1 1 1 4   10 7  o 711.810 21.783 108.163 6.5665 106.570 9.2143  109.806 9.3603 703.661 30.921 714.256 30.945 -10.59583      43.74603 
1 1 1 4   10 8  f 850.095 22.619 154.244 8.1429 148.172 11.430  160.502 11.603 829.682 32.532 863.861 31.716 -34.17914      45.43392 
1 1 1 4   10 9  o 403.696 21.944 34.824  3.7375 33.940  5.1990  35.771  5.3767 396.678 31.200 407.248 31.418 -10.57040      44.27790 
1 1 1 4   10 10 o 385.769 22.280 31.776  3.6244 30.937  5.0337  32.679  5.2230 379.014 31.650 389.552 31.941 -10.53793      44.96629 
1 1 1 4   10 11 o 529.256 22.282 59.554  4.9941 59.019  6.9615  60.122  7.1685 524.898 31.462 529.667 32.110 -4.768738      44.95463 
1 1 1 4   10 12 o 782.278 22.962 130.055 7.6070 132.807 10.695  127.238 10.821 789.153 32.003 772.240 33.089 16.91339       46.03373 
1 1 1 4   10 13 o 598.796 31.816 76.635  8.0390 76.635  8.0390  0.0000  0.0000 598.796 31.816 ?       ?      0.000000       31.81573 
1 1 1 4   10 14 o 292.228 24.287 18.279  2.9784 0.0000  0.0000  18.279  2.9784 ?       ?      292.228 24.287 0.000000       24.28683 
1 1 1 4   10 15 o 474.524 22.801 47.865  4.5820 0.0000  0.0000  47.865  4.5820 ?       ?      474.524 22.801 0.000000       22.80107 
1 1 1 4   10 16 o 309.856 19.920 20.481  2.6001 12.904  4.4096  24.520  3.2193 241.138 44.831 338.824 22.565 -97.68593      50.18962 
1 1 1 4   10 17 o 248.764 25.914 13.325  2.6900 13.191  3.9351  13.443  3.6856 244.915 39.266 247.968 36.161 -3.053116      53.38013 
1 1 1 4   10 18 o 883.794 19.666 166.021 7.3606 170.505 12.699  163.752 9.0327 892.415 33.602 876.856 24.325 15.55951       41.48199 
1 1 1 4   10 19 o 320.581 20.095 21.939  2.7143 19.475  4.6127  23.244  3.3571 298.885 37.251 329.426 24.234 -30.54166      44.43976 
1 1 1 4   10 20 o 409.721 24.544 35.945  4.2391 40.434  6.0136  31.512  5.9765 432.755 33.064 380.603 37.569 52.15161       50.04662 
1 1 1 4   10 21 o 531.232 23.528 60.292  5.2931 0.0000  0.0000  60.292  5.2931 ?       ?      531.232 23.528 0.000000       23.52802 
1 1 1 4   10 22 o 395.317 19.895 33.429  3.3200 27.224  5.5524  36.882  4.1420 351.817 37.863 414.425 23.699 -62.60822      44.66770 
1 1 1 4   10 23 o 937.870 20.229 187.951 8.0346 185.203 13.808  189.358 9.8794 922.464 35.346 939.219 24.838 -16.75513      43.20000 
1 1 1 4   10 24 o 738.150 19.672 116.575 6.1495 125.386 10.670  112.193 7.5250 758.326 33.225 722.042 24.609 36.28412       41.34653 
1 1 1 4   10 25 o 272.617 21.176 16.066  2.4256 15.560  4.2072  16.318  2.9687 262.004 39.115 273.376 25.954 -11.37219      46.94274 
1 1 1 4   10 26 o 220.373 22.879 10.589  2.1040 11.176  3.5210  10.263  2.6241 220.791 39.087 214.861 29.627 5.929779       49.04655 
1 1 1 4   10 27 o 449.536 35.181 45.399  6.6440 45.399  6.6440  0.0000  0.0000 449.536 35.181 ?       ?      0.000000       35.18055 
1 1 1 4   10 28 o 436.433 24.500 41.627  4.5098 0.0000  0.0000  41.627  4.5098 ?       ?      436.433 24.500 0.000000       24.49951 
1 1 1 4   11 0  o 484.356 17.996 49.883  3.6914 51.396  5.1819  48.325  5.2598 490.064 25.052 474.911 26.254 15.15308       36.28929 
1 1 1 4   11 1  o 191.344 18.899 7.8644  1.5114 6.7195  2.1279  9.0303  2.1473 174.745 29.824 204.102 25.392 -29.35764      39.16903 
1 1 1 4   11 2  o 339.317 18.816 24.575  2.6932 23.962  3.7031  25.265  3.9241 333.744 26.416 342.578 27.274 -8.833618      37.96946 
1 1 1 4   11 3  o 462.005 26.989 45.845  5.2576 45.845  5.2576  0.0000  0.0000 462.005 26.989 ?       ?      0.000000       26.98901 
1 1 1 4   11 4  o 218.628 29.209 10.438  2.6368 10.438  2.6368  0.0000  0.0000 218.628 29.209 ?       ?      0.000000       29.20942 
1 1 1 4   11 5  o 981.033 32.374 207.538 13.450 0.0000  0.0000  207.538 13.450 ?       ?      981.033 32.374 0.000000       32.37401 
1 1 1 4   11 6  o 428.939 20.552 39.255  3.7333 37.882  5.1941  40.722  5.3695 418.718 29.480 434.234 29.372 -15.51599      41.61458 
1 1 1 4   11 7  o 481.198 21.002 49.393  4.2799 45.295  5.9591  53.759  6.1507 457.856 30.915 499.486 29.205 -41.63065      42.52794 
1 1 1 4   11 8  o 506.675 21.204 54.720  4.5499 56.210  6.3828  53.181  6.4875 511.106 29.615 496.718 30.996 14.38788       42.86964 
1 1 1 4   11 9  o 293.335 22.358 18.435  2.7565 17.655  3.8834  19.227  3.9133 285.100 32.760 297.940 31.492 -12.84033      45.44183 
1 1 1 4   11 10 o 426.267 22.060 38.758  3.9687 40.461  5.5513  36.978  5.6758 434.160 30.384 414.523 32.595 19.63730       44.56060 
1 1 1 4   11 11 o 698.523 22.424 103.726 6.6335 107.165 9.3421  100.229 9.4207 708.717 31.126 685.170 32.467 23.54675       44.97716 
1 1 1 4   11 12 o 627.165 31.574 84.063  8.3592 84.063  8.3592  0.0000  0.0000 627.165 31.574 ?       ?      0.000000       31.57427 
1 1 1 4   11 13 o 1183.59 25.150 297.875 12.606 298.570 17.706  297.160 17.952 1182.56 35.356 1179.60 35.936 2.955688       50.41218 
1 1 1 4   11 14 o 406.220 22.986 35.182  3.9381 0.0000  0.0000  35.182  3.9381 ?       ?      406.220 22.986 0.000000       22.98588 
1 1 1 4   11 15 o 385.135 23.712 31.662  3.8487 0.0000  0.0000  31.662  3.8487 ?       ?      385.135 23.712 0.000000       23.71236 
1 1 1 4   11 16 f 420.384 18.750 37.534  3.3380 37.070  5.7224  37.774  4.1096 415.217 32.810 420.757 23.152 -5.540588      40.15664 
1 1 1 4   11 17 o 466.123 22.849 46.234  4.5104 44.694  6.3348  47.817  6.4233 455.916 33.034 471.795 32.344 -15.87900      46.23172 
1 1 1 4   11 18 o 628.903 18.838 84.046  5.0172 69.461  8.5827  91.617  6.1837 568.026 35.863 656.162 22.253 -88.13574      42.20628 
1 1 1 4   11 19 o 264.063 21.062 14.929  2.3358 10.700  3.8803  17.332  2.9251 218.916 43.389 284.131 24.551 -65.21562      49.85273 
1 1 1 4   11 20 o 341.585 34.426 25.341  4.9120 25.341  4.9120  0.0000  0.0000 341.585 34.426 ?       ?      0.000000       34.42553 
1 1 1 4   11 21 o 693.710 23.787 102.872 6.9880 0.0000  0.0000  102.872 6.9880 ?       ?      693.710 23.787 0.000000       23.78669 
1 1 1 4   11 22 o 222.386 22.682 10.687  2.1063 13.451  3.5744  9.2163  2.6070 246.683 35.214 204.463 31.087 42.22040       46.97304 
1 1 1 4   11 23 o 494.906 19.350 52.309  4.0556 55.989  6.9261  50.389  5.0030 507.172 32.417 483.904 24.493 23.26791       40.62937 
1 1 1 4   11 24 o 961.113 20.348 197.883 8.2823 190.660 14.272  201.550 10.170 931.865 36.165 967.253 24.828 -35.38782      43.86686 
1 1 1 4   11 25 o 314.491 20.520 21.333  2.7180 21.621  4.7270  21.191  3.3221 310.588 36.644 311.940 25.367 -1.352692      44.56747 
1 1 1 4   11 26 o 377.251 19.873 30.671  3.1637 31.385  5.4509  30.308  3.8851 375.074 34.710 373.234 24.719 1.839417       42.61283 
1 1 1 4   11 27 o 206.408 42.769 10.072  3.6156 10.072  3.6156  0.0000  0.0000 206.408 42.769 ?       ?      0.000000       42.76897 
1 1 1 4   11 28 o 392.775 25.069 33.796  4.1481 0.0000  0.0000  33.796  4.1481 ?       ?      392.775 25.069 0.000000       25.06878 
1 1 1 4   12 0  o 432.864 17.744 39.848  3.2527 42.843  4.5786  36.797  4.6218 447.348 24.259 414.033 26.498 33.31473       35.92567 
1 1 1 4   12 1  o 102.559 23.247 2.3331  0.9864 2.3649  1.3392  2.2953  1.4582 103.661 29.239 102.922 30.945 0.7388229      42.57389 
1 1 1 4   12 2  o 757.226 27.581 122.815 8.8446 122.815 8.8446  0.0000  0.0000 757.226 27.581 ?       ?      0.000000       27.58101 
1 1 1 4   12 3  o 638.479 27.626 87.396  7.4698 87.396  7.4698  0.0000  0.0000 638.479 27.626 ?       ?      0.000000       27.62594 
1 1 1 4   12 4  o 398.722 28.848 34.326  4.8382 0.0000  0.0000  34.326  4.8382 ?       ?      398.722 28.848 0.000000       28.84802 
1 1 1 4   12 5  o 89.425  33.024 1.3702  1.6530 0.0000  0.0000  1.3702  1.6530 ?       ?      89.425  33.024 0.000000       33.02393 
1 1 1 4   12 6  o 740.932 21.175 117.168 6.6442 116.940 9.2259  117.413 9.5766 737.466 29.541 738.535 30.619 -1.069214      42.54642 
1 1 1 4   12 7  o 373.913 20.758 29.903  3.2741 29.191  4.5483  30.669  4.7169 367.560 29.468 376.721 29.809 -9.160400      41.91599 
1 1 1 4   12 8  o 699.445 21.567 104.261 6.3884 105.641 8.9311  102.815 9.1418 701.941 30.044 692.157 31.188 9.784058       43.30506 
1 1 1 4   12 9  o 770.800 22.121 126.501 7.2208 123.606 10.106  129.520 10.321 759.811 31.406 777.795 31.335 -17.98413      44.36444 
1 1 1 4   12 10 o 901.896 22.971 173.064 8.7736 162.608 12.247  184.085 12.575 871.974 33.166 928.092 31.994 -56.11871      46.08216 
1 1 1 4   12 11 o 493.190 21.936 51.692  4.5816 52.472  6.4012  50.871  6.5604 495.114 30.680 487.249 31.971 7.865509       44.31003 
1 1 1 4   12 12 o 834.654 32.354 148.561 11.436 148.561 11.436  0.0000  0.0000 834.654 32.354 ?       ?      0.000000       32.35421 
1 1 1 4   12 13 o 499.310 32.383 53.383  6.8104 0.0000  0.0000  53.383  6.8104 ?       ?      499.310 32.383 0.000000       32.38256 
1 1 1 4   12 14 o 375.735 32.244 30.335  5.0810 30.335  5.0810  0.0000  0.0000 375.735 32.244 ?       ?      0.000000       32.24425 
1 1 1 4   12 15 o 1110.43 24.930 262.397 11.724 264.532 16.434  260.184 16.730 1112.30 34.887 1102.83 35.822 9.468994       50.00306 
1 1 1 4   12 16 o 749.678 18.979 119.388 6.0255 124.215 10.316  116.888 7.4235 762.441 31.949 741.129 23.652 21.31213       39.75110 
1 1 1 4   12 17 o 523.760 18.716 58.285  4.1514 55.432  7.1107  59.760  5.1133 507.874 33.244 529.914 22.785 -22.04031      40.30304 
1 1 1 4   12 18 o 661.188 18.952 92.907  5.3066 95.768  9.1246  91.445  6.5233 668.995 32.207 655.322 23.505 13.67285       39.87197 
1 1 1 4   12 19 o 433.402 19.268 39.941  3.5364 31.314  6.0462  44.427  4.3600 379.632 38.123 456.742 22.541 -77.10980      44.28819 
1 1 1 4   12 20 o 571.268 32.796 70.374  7.9009 70.374  7.9009  0.0000  0.0000 571.268 32.796 ?       ?      0.000000       32.79565 
1 1 1 4   12 21 o 497.202 23.579 52.858  4.9649 0.0000  0.0000  52.858  4.9649 ?       ?      497.202 23.579 0.000000       23.57944 
1 1 1 4   12 22 o 216.106 23.517 10.116  2.1175 13.144  3.6011  8.5166  2.6179 243.474 36.012 195.922 32.705 47.55205       48.64650 
1 1 1 4   12 23 o 466.432 19.465 46.481  3.8449 45.214  6.5200  47.157  4.7608 454.684 34.109 468.107 24.097 -13.42337      41.76229 
1 1 1 4   12 24 o 350.328 20.048 26.379  2.9620 28.104  5.0251  25.460  3.6668 356.980 33.637 342.600 25.454 14.37979       42.18229 
1 1 1 4   12 25 o 115.007 32.127 2.9888  1.6250 2.7000  2.5351  3.1903  2.1172 115.851 41.151 119.828 37.528 -3.977142      55.69382 
1 1 1 4   12 26 o 547.979 19.643 64.555  4.5585 72.097  7.8435  60.708  5.6017 570.824 32.581 528.934 25.008 41.89044       41.07237 
1 1 1 4   12 27 o 137.184 45.219 4.3102  3.0472 4.3102  3.0472  0.0000  0.0000 137.184 45.219 ?       ?      0.000000       45.21903 
1 1 1 4   12 28 o 442.301 24.546 42.777  4.5796 0.0000  0.0000  42.777  4.5796 ?       ?      442.301 24.546 0.000000       24.54555 
1 1 1 4   13 0  o 670.623 18.421 95.715  5.2316 94.027  7.3346  97.463  7.4644 662.984 26.123 674.994 26.113 -12.00934      36.93630 
1 1 1 4   13 1  o 239.170 18.576 12.250  1.8668 10.110  2.5611  14.675  2.7267 215.287 28.814 260.830 24.991 -45.54366      38.14162 
1 1 1 4   13 2  o 442.185 25.949 42.001  4.8380 42.001  4.8380  0.0000  0.0000 442.185 25.949 ?       ?      0.000000       25.94905 
1 1 1 4   13 3  o 280.160 28.644 17.030  3.3507 0.0000  0.0000  17.030  3.3507 ?       ?      280.160 28.644 0.000000       28.64447 
1 1 1 4   13 4  o 282.584 29.203 17.343  3.4444 0.0000  0.0000  17.343  3.4444 ?       ?      282.584 29.203 0.000000       29.20344 
1 1 1 4   13 5  o 497.901 19.962 52.879  4.2091 50.005  5.8480  55.968  6.0630 481.461 28.814 509.644 28.201 -28.18268      40.31792 
1 1 1 4   13 6  o 634.712 20.601 85.927  5.5374 77.323  7.6339  95.480  8.0444 598.888 30.197 666.865 28.485 -67.97693      41.51164 
1 1 1 4   13 7  o 333.142 20.721 23.745  2.9089 23.497  4.0181  24.018  4.2168 329.750 29.071 333.147 30.218 -3.396332      41.93098 
1 1 1 4   13 8  o 322.251 21.144 22.211  2.8695 21.230  3.9725  23.281  4.1496 313.355 30.314 328.293 30.185 -14.93796      42.77956 
1 1 1 4   13 9  o 1142.46 23.966 278.039 11.595 279.490 16.224  276.523 16.578 1142.16 33.542 1135.71 34.468 6.449585       48.09503 
1 1 1 4   13 10 o 354.782 21.670 26.858  3.2402 27.278  4.5247  26.416  4.6424 356.273 30.276 350.319 31.633 5.953796       43.78658 
1 1 1 4   13 11 o 672.590 22.006 96.127  6.2680 79.142  8.6583  114.829 9.0856 607.923 33.764 734.127 29.224 -126.2034      44.65468 
1 1 1 4   13 12 o 394.801 31.034 33.421  5.1469 33.421  5.1469  0.0000  0.0000 394.801 31.034 ?       ?      0.000000       31.03419 
1 1 1 4   13 13 f 518.856 32.043 57.623  7.0064 0.0000  0.0000  57.623  7.0064 ?       ?      518.856 32.043 0.000000       32.04314 
1 1 1 4   13 14 o 899.336 33.043 172.660 12.585 172.660 12.585  0.0000  0.0000 899.336 33.043 ?       ?      0.000000       33.04254 
1 1 1 4   13 15 o 493.241 22.767 51.738  4.7556 53.801  6.7102  49.656  6.7408 500.973 31.793 480.920 33.303 20.05289       46.04187 
1 1 1 4   13 16 o 649.938 22.934 89.880  6.3123 84.574  8.8077  95.484  9.0512 627.940 33.239 668.368 31.978 -40.42865      46.12403 
1 1 1 4   13 17 o 229.723 21.843 11.327  2.0994 11.139  3.5122  11.432  2.6188 224.729 38.276 229.904 27.440 -5.174774      47.09567 
1 1 1 4   13 18 o 777.839 19.222 128.607 6.3319 133.756 10.822  125.926 7.8078 790.490 32.327 768.869 23.979 21.62097       40.24970 
1 1 1 4   13 19 o 454.472 19.023 43.923  3.6613 47.037  6.2811  42.321  4.5061 467.439 31.920 444.905 24.005 22.53415       39.93928 
1 1 1 4   13 20 o 535.147 32.856 61.841  7.4101 61.841  7.4101  0.0000  0.0000 535.147 32.856 ?       ?      0.000000       32.85603 
1 1 1 4   13 21 o 875.284 24.340 163.995 9.0221 0.0000  0.0000  163.995 9.0221 ?       ?      875.284 24.340 0.000000       24.33978 
1 1 1 4   13 22 o 246.815 22.690 13.148  2.3451 8.8706  3.7434  15.912  3.0087 196.587 45.812 270.834 26.575 -74.24713      52.96214 
1 1 1 4   13 23 o 467.629 19.420 46.735  3.8459 55.349  6.6937  42.490  4.6990 504.212 31.506 443.841 25.103 60.37122       40.28350 
1 1 1 4   13 24 o 369.576 19.916 29.360  3.1056 33.332  5.4038  27.401  3.7950 388.905 33.126 355.335 25.386 33.56992       41.73495 
1 1 1 4   13 25 o 239.473 22.522 12.467  2.2572 19.231  3.8805  9.0088  2.7750 294.609 31.596 199.691 34.034 94.91747       46.43929 
1 1 1 4   13 26 o 355.294 20.519 27.280  3.0742 31.674  5.2550  24.994  3.7906 376.974 33.257 337.652 26.728 39.32260       42.66627 
1 1 1 4   13 27 o 210.546 40.598 10.407  3.4887 10.407  3.4887  0.0000  0.0000 210.546 40.598 ?       ?      0.000000       40.59783 
1 1 1 4   13 28 o 383.525 24.668 32.209  3.9853 0.0000  0.0000  32.209  3.9853 ?       ?      383.525 24.668 0.000000       24.66805 
1 1 1 4   14 0  o 239.592 25.023 12.409  2.5015 12.409  2.5015  0.0000  0.0000 239.592 25.023 ?       ?      0.000000       25.02272 
1 1 1 4   14 1  f 373.290 25.438 29.966  3.9974 29.966  3.9974  0.0000  0.0000 373.290 25.438 ?       ?      0.000000       25.43794 
1 1 1 4   14 2  o 399.984 18.344 34.082  3.1073 35.316  4.3653  32.815  4.4240 405.232 25.568 390.229 26.935 15.00311       37.13798 
1 1 1 4   14 3  o 334.280 27.797 24.153  3.8994 0.0000  0.0000  24.153  3.8994 ?       ?      334.280 27.797 0.000000       27.79746 
1 1 1 4   14 4  o 461.972 19.146 45.498  3.7457 46.344  5.2055  44.590  5.3941 464.056 26.599 454.724 28.149 9.332794       38.72840 
1 1 1 4   14 5  o 512.879 19.796 56.090  4.2997 57.878  5.9795  54.175  6.1873 518.669 27.319 501.163 29.280 17.50525       40.04559 
1 1 1 4   14 6  o 582.979 20.302 72.460  5.0122 75.700  6.9651  68.979  7.2183 594.132 27.682 565.687 30.241 28.44458       40.99760 
1 1 1 4   14 7  o 322.938 20.615 22.306  2.8047 20.375  3.8640  24.457  4.0774 306.789 30.129 336.648 28.879 -29.85968      41.73477 
1 1 1 4   14 8  o 172.546 24.370 6.4716  1.7312 6.7868  2.3709  6.1117  2.5337 175.088 33.190 165.363 37.094 9.725479       49.77499 
1 1 1 4   14 9  o 392.129 20.990 32.791  3.4730 30.816  4.7839  34.992  5.0500 378.658 30.080 403.713 29.747 -25.05438      42.30506 
1 1 1 4   14 10 o 564.118 21.287 67.630  5.0855 64.883  7.0560  70.599  7.3362 550.685 30.374 574.522 30.259 -23.83691      42.87379 
1 1 1 4   14 11 o 922.261 31.936 181.405 12.473 181.405 12.473  0.0000  0.0000 922.261 31.936 ?       ?      0.000000       31.93644 
1 1 1 4   14 12 o 739.654 22.203 116.234 6.9547 118.349 9.7093  114.005 9.9668 745.204 30.766 731.176 32.188 14.02808       44.52610 
1 1 1 4   14 13 f 876.583 33.101 163.978 12.288 0.0000  0.0000  163.978 12.288 ?       ?      876.583 33.101 0.000000       33.10099 
1 1 1 4   14 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   14 15 o 190.776 28.344 7.9261  2.2204 8.8334  3.0213  6.8607  3.2741 199.969 37.041 175.161 44.151 24.80862       57.63164 
1 1 1 4   14 16 o 507.329 22.829 54.771  4.9047 51.425  6.8047  58.389  7.0759 489.185 33.040 521.580 32.192 -32.39493      46.13003 
1 1 1 4   14 17 o 675.615 23.069 97.176  6.6003 90.230  9.1747  104.627 9.5025 648.245 33.535 699.282 32.088 -51.03723      46.41376 
1 1 1 4   14 18 o 548.685 23.275 64.119  5.4084 62.055  7.5504  66.293  7.7506 537.149 33.357 555.315 33.108 -18.16589      46.99804 
1 1 1 4   14 19 o 399.057 33.342 34.420  5.5831 34.420  5.5831  0.0000  0.0000 399.057 33.342 ?       ?      0.000000       33.34195 
1 1 1 4   14 20 o 294.856 20.671 18.623  2.5648 15.022  4.2593  20.672  3.2126 260.306 39.911 310.003 24.675 -49.69650      46.92273 
1 1 1 4   14 21 o 506.268 23.682 54.860  5.0773 0.0000  0.0000  54.860  5.0773 ?       ?      506.268 23.682 0.000000       23.68166 
1 1 1 4   14 22 o 263.648 21.329 14.962  2.3611 13.074  3.9046  16.050  2.9644 241.495 39.548 272.075 26.046 -30.58047      47.35495 
1 1 1 4   14 23 o 383.057 19.994 31.475  3.2322 30.816  5.4161  31.839  4.0282 374.293 34.559 383.924 24.910 -9.631348      42.60116 
1 1 1 4   14 24 o 247.071 22.364 13.239  2.3146 15.270  3.9773  12.199  2.8463 260.499 37.101 235.114 29.216 25.38484       47.22353 
1 1 1 4   14 25 o 201.460 24.235 8.8975  2.0262 8.3851  3.3500  9.1930  2.5444 189.340 42.786 202.871 30.564 -13.53099      52.58125 
1 1 1 4   14 26 o 301.534 26.145 19.955  3.3056 15.916  4.4599  24.879  4.9240 262.049 41.576 332.248 35.547 -70.19913      54.70109 
1 1 1 4   14 27 o 256.657 27.254 14.606  2.9169 21.043  4.0820  7.8891  4.1697 306.157 31.954 178.497 51.993 127.6600       61.02714 
1 1 1 4   15 0  o 135.653 30.020 4.1113  1.6790 4.1113  1.6790  0.0000  0.0000 135.653 30.020 ?       ?      0.000000       30.02042 
1 1 1 4   15 1  o 394.204 25.505 33.432  4.2351 0.0000  0.0000  33.432  4.2351 ?       ?      394.204 25.505 0.000000       25.50517 
1 1 1 4   15 2  o 179.022 30.933 7.0934  2.2603 0.0000  0.0000  7.0934  2.2603 ?       ?      179.022 30.933 0.000000       30.93295 
1 1 1 4   15 3  o 571.636 18.939 69.659  4.5848 67.979  6.4025  71.428  6.5685 562.791 26.863 576.883 26.886 -14.09210      38.00676 
1 1 1 4   15 4  o 564.161 19.295 67.856  4.6098 67.935  6.4115  67.771  6.6326 562.681 26.906 561.729 27.881 0.9526367      38.74673 
1 1 1 4   15 5  o 464.147 19.394 45.914  3.8121 47.111  5.3054  44.635  5.4811 468.029 26.880 455.059 28.587 12.96967       39.23976 
1 1 1 4   15 6  o 613.219 20.144 80.125  5.2311 83.283  7.2699  76.734  7.5330 623.498 27.533 597.902 29.751 25.59558       40.53571 
1 1 1 4   15 7  o 345.958 20.866 25.582  3.0428 26.992  4.2316  24.072  4.3784 354.013 28.466 333.569 31.363 20.44440       42.35551 
1 1 1 4   15 8  o 568.588 20.553 68.772  4.9491 67.552  6.8230  70.126  7.1895 561.566 28.787 571.961 29.785 -10.39465      41.42207 
1 1 1 4   15 9  o 784.952 21.566 131.015 7.1689 127.320 9.9152  135.062 10.377 772.230 30.319 795.253 30.813 -23.02368      43.22837 
1 1 1 4   15 10 o 191.090 25.074 7.9007  1.9801 8.6416  2.7262  7.0734  2.8809 198.482 33.634 178.313 39.217 20.16919       51.66443 
1 1 1 4   15 11 o 402.766 29.739 34.748  5.0366 34.748  5.0366  0.0000  0.0000 402.766 29.739 ?       ?      0.000000       29.73860 
1 1 1 4   15 12 o 406.109 31.636 35.375  5.3979 0.0000  0.0000  35.375  5.3979 ?       ?      406.109 31.636 0.000000       31.63570 
1 1 1 4   15 13 o 299.116 22.676 19.125  2.8510 18.354  3.9430  19.971  4.1272 291.509 32.493 304.218 32.540 -12.70868      45.98497 
1 1 1 4   15 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   15 15 o 483.144 22.334 49.651  4.5698 49.042  6.3349  50.313  6.5984 478.102 31.464 484.098 32.372 -5.996002      45.14325 
1 1 1 4   15 16 o 565.331 22.580 68.015  5.4059 61.378  7.4418  75.430  7.8660 534.526 33.037 593.152 31.426 -58.62579      45.59668 
1 1 1 4   15 17 o 680.959 22.878 98.721  6.5975 102.754 9.2318  94.511  9.4320 693.063 31.453 663.369 33.685 29.69482       46.08653 
1 1 1 4   15 18 o 494.408 23.028 52.066  4.8214 48.259  6.6485  56.289  7.0024 473.325 33.382 511.580 32.490 -38.25537      46.58252 
1 1 1 4   15 19 o 484.659 32.864 50.683  6.7054 50.683  6.7054  0.0000  0.0000 484.659 32.864 ?       ?      0.000000       32.86395 
1 1 1 4   15 20 o 427.914 24.027 39.271  4.3365 0.0000  0.0000  39.271  4.3365 ?       ?      427.914 24.027 0.000000       24.02702 
1 1 1 4   15 21 o 451.436 19.169 43.474  3.6648 36.339  6.1565  47.389  4.5608 407.475 36.049 470.588 22.885 -63.11316      42.70007 
1 1 1 4   15 22 o 232.850 22.480 11.718  2.1892 10.619  3.4835  12.436  2.8143 217.068 39.343 238.540 28.419 -21.47197      48.53361 
1 1 1 4   15 23 o 475.869 19.490 48.447  3.9278 43.930  6.5316  51.006  4.9160 446.947 34.782 487.038 23.835 -40.09088      42.16476 
1 1 1 4   15 24 o 223.588 23.700 10.903  2.2099 10.375  3.5248  11.244  2.8366 212.363 40.674 225.011 30.558 -12.64801      50.87426 
1 1 1 4   15 25 o 302.110 20.618 19.725  2.6222 21.421  4.4215  18.805  3.2567 309.575 34.302 293.008 26.533 16.56720       43.36648 
1 1 1 4   15 26 o 430.163 33.839 41.430  6.1147 41.430  6.1147  0.0000  0.0000 430.163 33.839 ?       ?      0.000000       33.83935 
1 1 1 4   15 27 o 93.454  31.423 1.8523  1.4699 1.0676  2.3265  2.3737  1.8964 93.484  37.844 105.176 35.690 -11.69140      52.01864 
1 1 1 4   16 0  o 211.352 27.732 9.7524  2.4223 0.0000  0.0000  9.7524  2.4223 ?       ?      211.352 27.732 0.000000       27.73247 
1 1 1 4   16 1  o 597.276 26.171 76.523  6.6196 0.0000  0.0000  76.523  6.6196 ?       ?      597.276 26.171 0.000000       26.17071 
1 1 1 4   16 2  f 530.323 18.300 59.935  4.1098 59.218  5.7582  60.679  5.8677 525.468 25.876 531.863 26.051 -6.394409      36.71825 
1 1 1 4   16 3  o 614.328 18.953 80.451  4.9308 73.458  6.8758  87.854  7.0749 584.786 27.764 640.055 26.101 -55.26947      38.10659 
1 1 1 4   16 4  o 456.594 18.955 44.426  3.6653 45.274  5.1164  43.532  5.2532 458.826 26.444 449.534 27.730 9.291229       38.31707 
1 1 1 4   16 5  o 263.599 20.387 14.900  2.2581 15.286  3.1184  14.474  3.2742 265.536 28.160 257.756 30.593 7.780701       41.58016 
1 1 1 4   16 6  o 576.851 19.762 70.853  4.8277 72.433  6.6991  69.146  6.9633 581.805 27.189 567.310 29.081 14.49432       39.81176 
1 1 1 4   16 7  o 604.396 20.240 77.731  5.1805 77.209  7.1843  78.297  7.4772 600.969 28.229 604.988 29.184 -4.019470      40.60261 
1 1 1 4   16 8  o 285.837 21.755 17.482  2.6137 18.874  3.5974  15.925  3.8039 295.910 29.083 270.643 33.934 25.26779       44.69168 
1 1 1 4   16 9  o 1110.46 23.245 262.297 10.931 254.598 15.162  270.630 15.774 1091.60 32.798 1125.35 33.099 -33.75146      46.59716 
1 1 1 4   16 10 o 427.944 28.876 39.191  5.2027 39.191  5.2027  0.0000  0.0000 427.944 28.876 ?       ?      0.000000       28.87649 
1 1 1 4   16 11 o 1154.92 23.914 283.565 11.696 287.371 16.255  279.480 16.842 1160.54 33.074 1144.04 34.762 16.50061       47.98243 
1 1 1 4   16 12 o 397.391 31.191 33.875  5.2070 0.0000  0.0000  33.875  5.2070 ?       ?      397.391 31.191 0.000000       31.19079 
1 1 1 4   16 13 o 687.455 21.954 100.443 6.3915 94.055  8.8171  107.516 9.2785 663.955 31.358 709.964 30.860 -46.00897      43.99608 
1 1 1 4   16 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   16 15 o 278.532 24.036 16.638  2.8074 18.476  3.8991  14.659  4.0455 292.275 32.026 258.703 38.063 33.57236       49.74406 
1 1 1 4   16 16 o 573.510 22.438 70.004  5.4496 78.432  7.6658  61.394  7.7486 605.852 29.878 534.165 34.437 71.68677       45.59164 
1 1 1 4   16 17 o 375.983 23.394 30.222  3.7065 27.425  5.0334  33.535  5.4783 356.191 33.772 394.322 33.113 -38.13147      47.29715 
1 1 1 4   16 18 o 344.056 23.754 25.349  3.4399 25.006  4.7748  25.719  4.9600 339.806 33.622 344.471 34.463 -4.665222      48.14690 
1 1 1 4   16 19 o 428.745 32.269 39.723  5.8161 39.723  5.8161  0.0000  0.0000 428.745 32.269 ?       ?      0.000000       32.26908 
1 1 1 4   16 20 o 456.193 33.593 45.187  6.4442 0.0000  0.0000  45.187  6.4442 ?       ?      456.193 33.593 0.000000       33.59275 
1 1 1 4   16 21 o 345.041 19.816 25.501  2.8833 22.785  4.8417  26.994  3.5892 321.738 36.161 354.080 24.079 -32.34125      43.44433 
1 1 1 4   16 22 o 319.557 20.270 21.922  2.7290 26.007  4.5761  19.667  3.3997 344.968 31.677 300.999 26.956 43.96951       41.59413 
1 1 1 4   16 23 o 711.423 19.363 108.339 5.8338 111.652 9.9312  106.593 7.2085 715.045 32.796 703.541 24.194 11.50409       40.75497 
1 1 1 4   16 24 o 416.207 19.525 37.183  3.4415 31.669  5.6949  40.355  4.3194 376.503 36.162 431.602 23.723 -55.09879      43.24865 
1 1 1 4   16 25 o 293.063 20.990 18.591  2.5878 17.347  4.2261  19.338  3.2733 276.822 36.973 297.112 26.286 -20.28961      45.36461 
1 1 1 4   16 26 o 152.393 41.994 5.5054  2.7971 5.5054  2.7971  0.0000  0.0000 152.393 41.994 ?       ?      0.000000       41.99423 
1 1 1 4   16 27 o 141.562 37.373 4.7109  2.2735 0.0000  0.0000  4.7109  2.2735 ?       ?      141.562 37.373 0.000000       37.37333 
1 1 1 4   17 0  o 193.577 28.844 8.2308  2.2924 0.0000  0.0000  8.2308  2.2924 ?       ?      193.577 28.844 0.000000       28.84420 
1 1 1 4   17 1  o 497.099 17.772 52.647  3.7412 49.611  5.2123  55.874  5.3731 480.279 25.720 510.611 24.848 -30.33218      35.76233 
1 1 1 4   17 2  o 372.551 18.087 29.570  2.8536 30.988  3.9993  28.101  4.0728 379.517 25.024 360.892 26.841 18.62479       36.69614 
1 1 1 4   17 3  o 515.626 18.525 56.645  4.0452 53.841  5.6687  59.554  5.7742 500.320 26.852 527.164 25.864 -26.84387      37.28280 
1 1 1 4   17 4  o 471.015 18.857 47.259  3.7615 48.156  5.2558  46.317  5.3857 473.420 26.319 463.947 27.534 9.472595       38.08982 
1 1 1 4   17 5  o 345.050 19.525 25.434  2.8414 25.515  3.9619  25.349  4.0773 344.138 27.412 342.808 28.339 1.329834       39.42794 
1 1 1 4   17 6  o 720.101 19.994 110.370 6.0973 109.962 8.4675  110.810 8.7872 717.017 27.886 719.526 28.838 -2.509094      40.11519 
1 1 1 4   17 7  o 291.224 20.546 18.130  2.5176 18.963  3.4236  17.148  3.7152 296.788 27.553 281.306 31.741 15.48218       42.03198 
1 1 1 4   17 8  o 127.579 30.791 3.6149  1.6446 3.6725  2.2737  3.5516  2.3816 129.899 38.548 128.671 39.722 1.227432       55.35174 
1 1 1 4   17 9  o 1232.44 23.951 323.091 12.501 312.116 17.346  334.952 18.032 1208.57 33.890 1251.97 34.010 -43.39368      48.01250 
1 1 1 4   17 10 o 868.688 30.495 160.866 11.218 160.866 11.218  0.0000  0.0000 868.688 30.495 ?       ?      0.000000       30.49474 
1 1 1 4   17 11 o 787.317 31.586 132.191 10.531 0.0000  0.0000  132.191 10.531 ?       ?      787.317 31.586 0.000000       31.58598 
1 1 1 4   17 12 o 396.608 21.324 33.516  3.5684 33.186  4.9152  33.884  5.1889 393.489 29.715 397.407 31.079 -3.918823      42.99894 
1 1 1 4   17 13 o 940.088 22.833 187.926 9.0903 188.377 12.594  187.435 13.134 939.391 31.657 936.682 33.111 2.708618       45.80945 
1 1 1 4   17 14 o 505.234 31.487 54.739  6.7035 0.0000  0.0000  54.739  6.7035 ?       ?      505.234 31.487 0.000000       31.48690 
1 1 1 4   17 15 o 234.704 25.082 11.868  2.4544 12.457  3.4393  11.256  3.5036 238.660 35.076 226.014 37.949 12.64592       51.67638 
1 1 1 4   17 16 o 835.649 23.020 148.688 8.1465 153.445 11.326  143.589 11.726 846.841 31.582 818.570 33.826 28.27197       46.27787 
1 1 1 4   17 17 o 845.594 23.204 152.301 8.3095 135.206 11.461  171.245 12.065 794.018 34.085 894.313 31.856 -100.2949      46.65340 
1 1 1 4   17 18 o 259.613 36.709 14.783  3.9233 14.783  3.9233  0.0000  0.0000 259.613 36.709 ?       ?      0.000000       36.70855 
1 1 1 4   17 19 o 683.689 23.158 99.805  6.7051 100.434 9.3174  99.130  9.6567 683.194 32.204 678.260 33.619 4.933960       46.55466 
1 1 1 4   17 20 o 271.542 38.555 16.344  4.3091 0.0000  0.0000  16.344  4.3091 ?       ?      271.542 38.555 0.000000       38.55468 
1 1 1 4   17 21 o 385.641 23.907 32.009  3.8851 28.132  5.3431  36.357  5.6592 357.819 35.739 408.210 33.019 -50.39078      48.65699 
1 1 1 4   17 22 o 205.277 23.424 9.1583  1.9999 9.2261  3.2323  9.1162  2.5456 201.726 39.248 203.019 30.555 -1.292923      49.73987 
1 1 1 4   17 23 o 681.693 19.410 99.556  5.6034 103.849 9.5131  97.275  6.9339 688.984 32.604 671.589 24.380 17.39496       40.71091 
1 1 1 4   17 24 o 138.659 29.954 4.3576  1.7075 5.4722  2.6928  3.6081  2.2082 153.333 40.766 126.242 38.108 27.09106       55.80456 
1 1 1 4   17 25 o 410.443 24.388 36.665  4.2201 28.240  5.6436  47.353  6.3560 352.931 38.377 461.800 32.712 -108.8698      50.42719 
1 1 1 4   17 26 o 77.932  31.477 0.6849  1.6056 2.0557  2.1387  -1.0858 2.4306 102.895 37.632 76.712  34.749 26.18307       51.22143 
1 1 1 4   17 27 o 150.322 35.340 5.2816  2.2118 0.0000  0.0000  5.2816  2.2118 ?       ?      150.322 35.340 0.000000       35.34011 
1 1 1 4   18 0  f 176.188 16.785 6.6677  1.2372 7.2511  2.0634  6.3403  1.5460 181.737 27.685 170.903 21.861 10.83380       35.27583 
1 1 1 4   18 1  o 545.679 17.951 63.432  4.1483 69.382  5.8222  57.296  5.9121 569.317 24.149 515.938 27.154 53.37915       36.33842 
1 1 1 4   18 2  o 527.051 18.168 59.171  4.0551 61.795  5.6765  56.435  5.7951 537.202 24.951 512.264 26.806 24.93799       36.62156 
1 1 1 4   18 3  o 383.340 18.438 31.296  2.9932 29.441  4.1813  33.245  4.2867 369.672 26.893 393.180 25.890 -23.50754      37.32978 
1 1 1 4   18 4  o 281.621 19.766 16.976  2.3425 17.668  3.2629  16.240  3.3650 285.977 27.273 273.588 29.510 12.38907       40.18286 
1 1 1 4   18 5  o 1086.42 21.803 251.548 10.031 248.466 14.046  254.758 14.332 1076.27 30.816 1089.70 31.056 -13.43115      43.75071 
1 1 1 4   18 6  o 280.564 20.082 16.831  2.3703 14.563  3.2217  19.506  3.4999 259.246 29.892 300.920 27.777 -41.67398      40.80577 
1 1 1 4   18 7  o 447.185 19.615 42.505  3.7146 36.013  5.0656  50.058  5.4633 409.620 29.397 483.771 26.771 -74.15161      39.76028 
1 1 1 4   18 8  o 351.655 20.420 26.366  3.0279 24.384  4.1312  28.665  4.4509 336.881 29.248 365.502 28.993 -28.62100      41.18256 
1 1 1 4   18 9  o 272.418 31.036 16.029  3.5166 16.029  3.5166  0.0000  0.0000 272.418 31.036 ?       ?      0.000000       31.03615 
1 1 1 4   18 10 o 1799.65 28.565 689.829 21.770 687.400 30.366  692.398 31.226 1791.42 40.027 1797.41 41.024 -5.982178      57.31574 
1 1 1 4   18 11 o 894.798 32.188 170.830 12.197 0.0000  0.0000  170.830 12.197 ?       ?      894.798 32.188 0.000000       32.18821 
1 1 1 4   18 12 o 907.858 22.375 175.207 8.6023 166.135 11.905  185.120 12.444 882.269 31.862 931.389 31.550 -49.12054      44.83949 
1 1 1 4   18 13 o 309.622 22.015 20.485  2.8678 18.974  3.9322  22.202  4.1916 296.400 31.825 320.988 31.231 -24.58813      44.58919 
1 1 1 4   18 14 o 299.550 33.587 19.436  4.1874 0.0000  0.0000  19.436  4.1874 ?       ?      299.550 33.587 0.000000       33.58715 
1 1 1 4   18 15 o 195.480 26.125 8.2895  2.1086 6.9934  2.8864  9.7729  3.0879 176.930 39.520 210.617 35.907 -33.68651      53.39605 
1 1 1 4   18 16 o 167.582 30.152 6.1836  2.0612 4.7993  2.7538  7.9469  3.1081 147.319 42.059 188.639 40.139 -41.31993      58.13885 
1 1 1 4   18 17 o 258.122 24.408 14.329  2.6365 14.942  3.6470  13.657  3.8158 261.878 33.664 249.368 37.277 12.50998       50.22777 
1 1 1 4   18 18 o 330.076 33.753 23.657  4.6517 23.657  4.6517  0.0000  0.0000 330.076 33.753 ?       ?      0.000000       33.75289 
1 1 1 4   18 19 o 478.808 33.452 49.685  6.7405 0.0000  0.0000  49.685  6.7405 ?       ?      478.808 33.452 0.000000       33.45241 
1 1 1 4   18 20 o 195.808 30.227 8.4505  2.4258 12.566  3.3562  3.9489  3.5103 238.545 34.201 139.374 48.511 99.17114       59.35478 
1 1 1 4   18 21 o 410.020 23.225 36.157  4.0162 39.181  5.5200  32.755  5.8542 424.401 30.926 385.892 36.247 38.50842       47.64717 
1 1 1 4   18 22 o 404.523 23.825 35.292  4.0635 40.656  5.5985  29.321  5.9074 431.708 30.825 362.953 39.047 68.75552       49.74755 
1 1 1 4   18 23 f 182.328 31.339 7.4548  2.3326 0.0000  0.0000  7.4548  2.3326 ?       ?      182.328 31.339 0.000000       31.33861 
1 1 1 4   18 24 o 324.553 20.032 22.730  2.7399 23.687  4.5982  22.203  3.4117 325.869 33.812 318.926 25.473 6.943359       42.33346 
1 1 1 4   18 25 o 216.642 28.846 10.458  2.5807 10.770  3.4852  10.078  3.8398 215.465 39.656 205.749 45.296 9.716766       60.20222 
1 1 1 4   18 26 o 252.251 27.115 14.124  2.8511 13.138  3.8768  15.286  4.2075 236.998 40.054 255.955 40.136 -18.95691      56.70334 
1 1 1 4   18 27 o 109.404 36.772 2.6161  2.0130 0.0000  0.0000  2.6161  2.0130 ?       ?      109.404 36.772 0.000000       36.77247 
1 1 1 4   19 0  o 389.577 14.318 32.258  2.3622 34.320  3.9305  31.092  2.9555 399.937 23.308 382.020 18.268 17.91751       29.61384 
1 1 1 4   19 1  o 196.842 17.592 8.3146  1.4511 11.554  2.4408  6.5439  1.8046 230.921 25.378 173.031 25.381 57.88963       35.89230 
1 1 1 4   19 2  o 450.318 17.847 43.168  3.4035 44.447  4.7441  41.812  4.8856 455.186 24.703 441.069 26.275 14.11761       36.06408 
1 1 1 4   19 3  o 407.356 18.283 35.318  3.1540 37.037  4.4059  33.511  4.5172 415.461 25.160 394.672 27.192 20.78851       37.04661 
1 1 1 4   19 4  o 406.515 18.565 35.160  3.1961 33.470  4.4715  36.927  4.5701 394.692 26.913 414.827 26.148 -20.13477      37.52365 
1 1 1 4   19 5  o 1226.23 22.708 320.378 11.792 310.897 16.537  330.187 16.820 1204.06 32.432 1241.06 32.004 -36.99683      45.56375 
1 1 1 4   19 6  o 484.737 19.289 49.948  3.9598 48.145  5.4872  51.908  5.7200 474.189 27.442 492.408 27.540 -18.21881      38.87841 
1 1 1 4   19 7  o 805.430 20.462 137.885 6.9794 133.279 9.7099  142.809 10.039 790.353 29.010 818.128 28.975 -27.77539      41.00170 
1 1 1 4   19 8  o 904.501 29.585 174.454 11.332 174.454 11.332  0.0000  0.0000 904.501 29.585 ?       ?      0.000000       29.58495 
1 1 1 4   19 9  o 316.110 29.370 21.475  3.8868 21.475  3.8868  0.0000  0.0000 316.110 29.370 ?       ?      0.000000       29.36976 
1 1 1 4   19 10 o 645.700 30.347 88.882  8.2984 0.0000  0.0000  88.882  8.2984 ?       ?      645.700 30.347 0.000000       30.34726 
1 1 1 4   19 11 f 271.250 22.527 15.747  2.5643 17.124  3.5983  14.325  3.6554 281.739 30.653 256.692 34.500 25.04639       46.15043 
1 1 1 4   19 12 o 217.110 24.526 10.157  2.2155 10.219  3.1579  10.097  3.1090 215.753 35.818 214.499 35.464 1.254044       50.40503 
1 1 1 4   19 13 o 493.203 21.263 51.719  4.4412 54.139  6.1191  49.026  6.4561 502.934 28.851 477.893 32.087 25.04086       43.14990 
1 1 1 4   19 14 o 848.544 32.385 154.059 11.638 0.0000  0.0000  154.059 11.638 ?       ?      848.544 32.385 0.000000       32.38499 
1 1 1 4   19 15 o 280.305 23.720 16.855  2.7892 16.326  3.8515  17.438  4.0447 273.980 33.920 283.177 34.437 -9.196655      48.33673 
1 1 1 4   19 16 o 694.975 22.182 102.830 6.5284 103.740 9.0089  101.824 9.4739 696.346 30.549 689.431 32.448 6.914734       44.56628 
1 1 1 4   19 17 o 556.915 22.063 66.062  5.2035 61.307  7.0905  71.613  7.6602 533.974 31.495 577.262 31.453 -43.28748      44.51096 
1 1 1 4   19 18 o 567.378 30.869 69.316  7.3893 69.316  7.3893  0.0000  0.0000 567.378 30.869 ?       ?      0.000000       30.86919 
1 1 1 4   19 19 o 497.008 34.495 53.676  7.2154 0.0000  0.0000  53.676  7.2154 ?       ?      497.008 34.495 0.000000       34.49459 
1 1 1 4   19 20 o 482.926 22.950 49.944  4.6935 46.939  6.3341  53.603  6.9896 464.541 32.400 496.135 33.462 -31.59372      46.57743 
1 1 1 4   19 21 o 132.147 34.480 3.9437  1.9499 4.4857  2.5371  3.1616  3.0480 140.942 40.413 126.682 45.109 14.25999       60.56421 
1 1 1 4   19 22 o 202.234 29.040 9.0351  2.4158 3.4920  3.1439  17.026  3.7748 130.594 45.884 277.598 32.739 -147.0029      56.36645 
1 1 1 4   19 23 o 255.233 40.401 14.887  4.2214 0.0000  0.0000  14.887  4.2214 ?       ?      255.233 40.401 0.000000       40.40052 
1 1 1 4   19 24 o 406.207 19.549 35.470  3.3629 36.537  5.6217  34.876  4.1966 405.521 33.022 400.224 24.883 5.296478       41.34728 
1 1 1 4   19 25 o 400.013 33.325 35.836  5.5939 35.836  5.5939  0.0000  0.0000 400.013 33.325 ?       ?      0.000000       33.32474 
1 1 1 4   19 26 o 247.457 22.908 13.431  2.3734 12.336  3.7789  14.145  3.0501 229.037 40.438 251.373 29.195 -22.33600      49.87574 
1 1 1 4   20 0  f 494.372 14.135 51.926  2.9594 59.205  4.9239  47.810  3.7029 526.609 22.079 473.810 18.454 52.79858       28.77534 
1 1 1 4   20 1  o 933.047 15.972 185.099 6.3113 197.899 10.774  178.412 7.7873 961.336 26.464 914.946 20.098 46.39087       33.23032 
1 1 1 4   20 2  f 324.504 18.688 22.488  2.5573 20.851  3.6365  24.091  3.5971 310.759 27.931 334.702 25.571 -23.94287      37.86817 
1 1 1 4   20 3  o 394.214 18.218 33.057  3.0413 32.214  4.2159  33.972  4.3917 387.420 25.844 397.822 26.215 -10.40161      36.81190 
1 1 1 4   20 4  f 397.118 18.360 33.531  3.0877 33.287  4.2913  33.793  4.4462 394.046 25.859 396.898 26.606 -2.852203      37.10235 
1 1 1 4   20 5  o 536.464 18.847 61.174  4.2819 61.803  5.9707  60.509  6.1440 538.250 26.194 531.718 27.378 6.532349       37.89008 
1 1 1 4   20 6  o 340.732 19.625 24.754  2.8198 24.799  3.9163  24.707  4.0634 339.923 27.439 339.098 28.562 0.8250427      39.60648 
1 1 1 4   20 7  o 491.025 27.320 51.531  5.6586 51.531  5.6586  0.0000  0.0000 491.025 27.320 ?       ?      0.000000       27.32013 
1 1 1 4   20 8  o 1082.20 31.025 249.835 14.219 249.835 14.219  0.0000  0.0000 1082.20 31.025 ?       ?      0.000000       31.02507 
1 1 1 4   20 9  o 260.792 32.948 14.742  3.5576 0.0000  0.0000  14.742  3.5576 ?       ?      260.792 32.948 0.000000       32.94775 
1 1 1 4   20 10 o 740.118 30.602 116.816 9.5916 0.0000  0.0000  116.816 9.5916 ?       ?      740.118 30.602 0.000000       30.60184 
1 1 1 4   20 11 o 768.962 21.365 125.668 6.9574 116.235 9.5484  136.345 10.158 738.121 30.546 799.532 30.001 -61.41089      42.81554 
1 1 1 4   20 12 o 104.999 32.496 2.3473  1.5927 0.9449  2.2856  3.6713  2.2208 94.378  37.753 129.700 37.991 -35.32264      53.55936 
1 1 1 4   20 13 o 541.490 29.619 62.797  6.7663 62.797  6.7663  0.0000  0.0000 541.490 29.619 ?       ?      0.000000       29.61863 
1 1 1 4   20 14 o 485.260 21.634 50.105  4.4458 56.839  6.1428  42.698  6.4424 515.201 28.262 445.013 34.453 70.18787       44.56204 
1 1 1 4   20 15 o 625.385 21.834 83.251  5.7825 85.675  7.9510  80.530  8.4251 633.021 29.659 612.269 32.611 20.75116       44.08072 
1 1 1 4   20 16 o 575.826 21.944 70.600  5.3513 64.340  7.3471  77.674  7.8097 547.137 31.846 601.620 30.756 -54.48285      44.27291 
1 1 1 4   20 17 o 539.953 30.249 62.661  6.8891 62.661  6.8891  0.0000  0.0000 539.953 30.249 ?       ?      0.000000       30.24942 
1 1 1 4   20 18 o 462.144 22.079 45.579  4.3211 42.376  5.8845  49.328  6.3659 442.737 31.592 477.825 31.638 -35.08813      44.71067 
1 1 1 4   20 19 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   20 20 o 582.649 23.024 72.755  5.6812 75.917  7.7277  69.035  8.3807 591.570 30.954 561.981 35.395 29.58948       47.02053 
1 1 1 4   20 21 o 322.453 24.513 22.479  3.3223 21.958  4.4351  23.146  5.0151 315.819 33.680 322.956 37.358 -7.136841      50.29840 
1 1 1 4   20 22 o 158.564 32.171 5.6771  2.0865 4.5989  2.7148  7.2330  3.2612 142.098 42.111 176.329 43.855 -34.23038      60.79940 
1 1 1 4   20 23 o 255.098 26.034 14.268  2.7731 13.404  3.7544  15.304  4.1137 242.732 37.750 259.254 38.649 -16.52174      54.02594 
1 1 1 4   20 24 o 344.622 24.254 25.879  3.5172 21.584  4.7675  31.008  5.2100 308.685 37.221 372.887 33.344 -64.20172      49.97218 
1 1 1 4   20 25 o 159.741 40.753 6.0582  2.7658 6.0582  2.7658  0.0000  0.0000 159.741 40.753 ?       ?      0.000000       40.75305 
1 1 1 4   20 26 o 452.812 24.918 45.010  4.7599 0.0000  0.0000  45.010  4.7599 ?       ?      452.812 24.918 0.000000       24.91777 
1 1 1 4   21 0  o 365.287 17.004 28.379  2.6304 28.059  3.6098  28.741  3.8409 361.720 23.696 365.865 24.938 -4.144684      34.40069 
1 1 1 4   21 1  o 596.431 14.549 75.555  3.6747 71.539  6.1096  77.832  4.5998 578.652 24.932 604.867 17.957 -26.21442      30.72523 
1 1 1 4   21 2  o 337.783 15.259 24.235  2.1827 24.836  3.6723  23.906  2.7142 340.039 25.691 334.637 19.233 5.401978       32.09307 
1 1 1 4   21 3  o 482.062 18.006 49.400  3.6759 50.768  5.1287  47.955  5.2713 487.188 24.942 473.170 26.411 14.01831       36.32701 
1 1 1 4   21 4  o 543.382 18.386 62.753  4.2310 57.819  5.8741  68.071  6.0992 519.840 26.773 564.980 25.492 -45.14001      36.96804 
1 1 1 4   21 5  o 784.406 19.651 130.777 6.5278 128.240 9.1291  133.431 9.3377 775.303 27.804 790.823 27.882 -15.51959      39.37594 
1 1 1 4   21 6  o 188.342 32.852 7.7968  2.5250 7.7968  2.5250  0.0000  0.0000 188.342 32.852 ?       ?      0.000000       32.85242 
1 1 1 4   21 7  o 583.101 27.411 72.427  6.7689 72.427  6.7689  0.0000  0.0000 583.101 27.411 ?       ?      0.000000       27.41123 
1 1 1 4   21 8  o 400.473 28.942 34.352  4.8754 0.0000  0.0000  34.352  4.8754 ?       ?      400.473 28.942 0.000000       28.94193 
1 1 1 4   21 9  o 149.986 39.970 4.9901  2.5847 0.0000  0.0000  4.9901  2.5847 ?       ?      149.986 39.970 0.000000       39.97014 
1 1 1 4   21 10 o 594.506 20.361 75.087  5.1262 77.157  7.0535  72.770  7.4630 601.802 27.676 583.318 30.315 18.48401       41.04879 
1 1 1 4   21 11 o 825.226 21.466 144.769 7.5018 136.442 10.260  154.337 10.997 799.577 30.299 850.346 30.538 -50.76886      43.01853 
1 1 1 4   21 12 o 902.391 22.099 173.218 8.4453 181.950 11.683  163.661 12.222 923.112 29.885 874.693 32.995 48.41882       44.51759 
1 1 1 4   21 13 o 473.186 29.513 48.014  5.8845 48.014  5.8845  0.0000  0.0000 473.186 29.513 ?       ?      0.000000       29.51251 
1 1 1 4   21 14 o 488.863 21.624 50.864  4.4768 54.814  6.2006  46.563  6.4703 505.637 29.080 465.025 33.071 40.61249       44.03731 
1 1 1 4   21 15 o 689.354 21.911 101.174 6.3966 100.696 8.8219  101.703 9.2884 686.010 30.366 689.077 31.829 -3.066956      43.99110 
1 1 1 4   21 16 o 784.677 22.327 131.168 7.4194 117.045 10.180  147.173 10.836 738.726 32.539 828.892 30.870 -90.16583      44.85254 
1 1 1 4   21 17 o 559.566 30.485 67.374  7.1969 67.374  7.1969  0.0000  0.0000 559.566 30.485 ?       ?      0.000000       30.48524 
1 1 1 4   21 18 o 560.665 32.519 68.016  7.6881 0.0000  0.0000  68.016  7.6881 ?       ?      560.665 32.519 0.000000       32.51944 
1 1 1 4   21 19 o 348.693 23.949 26.175  3.5151 23.053  4.6294  30.426  5.4018 324.309 34.224 372.911 34.599 -48.60257      48.66613 
1 1 1 4   21 20 o 103.941 37.898 1.9742  2.1666 3.9400  2.7540  -1.2181 3.5096 134.265 42.895 95.165  42.540 39.09968       60.41183 
1 1 1 4   21 21 o 299.351 26.565 19.483  3.3328 14.431  4.2721  27.340  5.3270 252.368 41.409 351.372 36.324 -99.00325      55.08306 
1 1 1 4   21 22 o 251.507 27.098 13.871  2.8406 12.410  3.9119  15.500  4.1317 232.617 41.219 261.789 38.410 -29.17224      56.34114 
1 1 1 4   21 23 o 68.652  30.610 -0.6069 1.8047 -3.2111 2.6308  1.7079  2.4804 68.468  32.654 103.199 39.911 -34.73068      51.56710 
1 1 1 4   21 24 o 207.407 29.299 9.6136  2.5018 8.2262  3.3800  11.295  3.7206 186.160 43.633 219.907 41.473 -33.74710      60.19823 
1 1 1 4   21 25 o 154.053 41.540 5.6688  2.7720 5.6688  2.7720  0.0000  0.0000 154.053 41.540 ?       ?      0.000000       41.54004 
1 1 1 4   21 26 o 204.858 44.538 10.161  3.7537 0.0000  0.0000  10.161  3.7537 ?       ?      204.858 44.538 0.000000       44.53756 
1 1 1 4   22 0  o 93.049  25.551 1.9069  1.0376 1.0956  1.7381  2.3561  1.2934 87.096  33.485 103.367 28.586 -16.27136      44.02721 
1 1 1 4   22 1  o 720.090 14.820 110.101 4.5195 102.195 7.5241  114.563 5.6529 691.842 25.681 734.025 18.185 -42.18311      31.46731 
1 1 1 4   22 2  o 640.207 14.951 87.016  4.0534 81.529  6.7873  90.057  5.0536 618.067 25.931 650.869 18.334 -32.80157      31.75773 
1 1 1 4   22 3  o 468.124 15.083 46.516  2.9902 52.168  5.0973  43.551  3.6922 494.777 24.327 452.607 19.263 42.17007       31.03001 
1 1 1 4   22 4  o 309.401 18.973 20.418  2.4740 21.694  3.4435  19.056  3.5568 318.017 25.791 297.464 28.587 20.55292       38.50122 
1 1 1 4   22 5  o 236.966 28.199 12.140  2.7742 12.140  2.7742  0.0000  0.0000 236.966 28.199 ?       ?      0.000000       28.19851 
1 1 1 4   22 6  o 529.688 26.751 59.909  5.9813 59.909  5.9813  0.0000  0.0000 529.688 26.751 ?       ?      0.000000       26.75101 
1 1 1 4   22 7  f 404.351 28.223 35.003  4.8026 0.0000  0.0000  35.003  4.8026 ?       ?      404.351 28.223 0.000000       28.22350 
1 1 1 4   22 8  o 1139.62 32.234 277.222 15.557 0.0000  0.0000  277.222 15.557 ?       ?      1139.62 32.234 0.000000       32.23448 
1 1 1 4   22 9  o 339.996 20.515 24.648  2.9400 24.606  4.0688  24.694  4.2529 338.591 28.644 338.996 29.931 -0.4047852     41.42912 
1 1 1 4   22 10 o 755.521 20.807 121.310 6.6573 126.033 9.2075  116.136 9.6369 768.899 28.277 737.619 30.851 31.27972       41.84887 
1 1 1 4   22 11 f 827.006 21.312 145.425 7.4642 139.486 10.234  152.174 10.910 808.321 29.897 844.139 30.519 -35.81720      42.72290 
1 1 1 4   22 12 o 614.535 21.030 80.322  5.4730 80.279  7.4684  80.371  8.0436 613.191 28.760 612.346 31.120 0.8450317      42.37425 
1 1 1 4   22 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   22 14 o 472.396 21.236 47.496  4.2484 44.506  5.8215  50.902  6.2139 455.089 30.381 486.846 30.289 -31.75705      42.90000 
1 1 1 4   22 15 o 618.948 21.568 81.566  5.6533 85.740  7.8112  76.974  8.1924 633.160 29.131 598.362 32.451 34.79889       43.60884 
1 1 1 4   22 16 o 463.379 30.751 46.222  6.0001 46.222  6.0001  0.0000  0.0000 463.379 30.751 ?       ?      0.000000       30.75061 
1 1 1 4   22 17 o 721.807 22.178 111.177 6.7793 109.020 9.3276  113.592 9.8701 712.184 30.927 726.556 32.078 -14.37177      44.55873 
1 1 1 4   22 18 o 323.900 36.213 23.035  4.8822 0.0000  0.0000  23.035  4.8822 ?       ?      323.900 36.213 0.000000       36.21282 
1 1 1 4   22 19 o 302.135 26.282 19.772  3.3293 18.731  4.4319  21.120  5.0440 290.912 36.797 308.165 39.564 -17.25330      54.03052 
1 1 1 4   22 20 o 613.950 22.674 80.862  5.8953 75.675  8.0241  86.946  8.6902 589.214 32.280 631.503 32.606 -42.28882      45.88181 
1 1 1 4   22 21 o 629.458 22.931 85.200  6.1128 77.477  8.2013  94.852  9.1691 594.771 32.686 658.872 32.861 -64.10132      46.34876 
1 1 1 4   22 22 o 68.142  31.036 -1.1207 1.9726 -1.1207 1.9726  0.0000  0.0000 68.142  31.036 ?       ?      0.000000       31.03637 
1 1 1 4   22 23 o 385.638 23.830 32.341  3.8727 30.990  5.2655  33.933  5.7157 372.608 33.735 389.240 35.050 -16.63235      48.64725 
1 1 1 4   22 24 o 188.305 41.442 8.3789  3.2152 8.3789  3.2152  0.0000  0.0000 188.305 41.442 ?       ?      0.000000       41.44164 
1 1 1 4   22 25 o 153.703 34.201 5.5064  2.1688 4.0166  2.9267  7.3210  3.2300 132.235 44.340 173.771 43.882 -41.53575      62.38311 
1 1 1 4   22 26 f 201.248 44.778 9.8416  3.7178 0.0000  0.0000  9.8416  3.7178 ?       ?      201.248 44.778 0.000000       44.77756 
1 1 1 4   23 0  o 206.803 16.010 9.1370  1.3912 8.6038  2.2649  9.4600  1.7631 198.836 27.645 209.928 20.077 -11.09134      34.16595 
1 1 1 4   23 1  o 221.653 16.454 10.491  1.5335 11.616  2.5898  9.8844  1.9030 231.767 26.885 214.486 21.229 17.28038       34.25616 
1 1 1 4   23 2  o 115.982 25.590 2.9793  1.2232 5.7355  1.9767  1.2690  1.5571 161.291 30.045 86.838  32.055 74.45258       43.93420 
1 1 1 4   23 3  o 720.900 15.487 110.299 4.7280 114.100 8.0077  108.265 5.8581 731.703 25.842 713.753 19.380 17.94977       32.30198 
1 1 1 4   23 4  o 764.550 26.696 124.568 8.6435 124.568 8.6435  0.0000  0.0000 764.550 26.696 ?       ?      0.000000       26.69573 
1 1 1 4   23 5  o 157.173 34.070 5.4828  2.2023 5.4828  2.2023  0.0000  0.0000 157.173 34.070 ?       ?      0.000000       34.06951 
1 1 1 4   23 6  o 1299.22 33.073 360.567 18.197 0.0000  0.0000  360.567 18.197 ?       ?      1299.22 33.073 0.000000       33.07314 
1 1 1 4   23 7  o 276.034 28.647 16.410  3.3000 0.0000  0.0000  16.410  3.3000 ?       ?      276.034 28.647 0.000000       28.64720 
1 1 1 4   23 8  o 761.718 20.308 123.267 6.5508 124.591 9.1235  121.857 9.4117 764.627 28.175 755.978 29.398 8.648254       40.71950 
1 1 1 4   23 9  o 433.919 20.113 40.006  3.6960 40.152  5.0708  39.840  5.3983 433.166 27.789 431.140 29.748 2.026031       40.70871 
1 1 1 4   23 10 f 536.125 20.199 61.087  4.5861 65.806  6.3784  56.037  6.5987 555.628 27.107 511.372 30.611 44.25562       40.88796 
1 1 1 4   23 11 o 730.815 20.822 113.575 6.4444 117.586 8.8930  109.138 9.3518 742.274 28.291 714.573 30.903 27.70111       41.89718 
1 1 1 4   23 12 o 496.661 20.585 52.468  4.3297 46.839  5.9406  58.846  6.3235 467.111 30.192 524.125 28.597 -57.01361      41.58578 
1 1 1 4   23 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   23 14 o 399.654 21.400 34.099  3.6088 32.978  5.0000  35.318  5.2138 391.372 30.406 405.056 30.621 -13.68332      43.15279 
1 1 1 4   23 15 o 676.895 21.804 97.595  6.2504 100.551 8.5783  94.250  9.1258 685.379 29.555 662.805 32.512 22.57428       43.93742 
1 1 1 4   23 16 o 356.823 31.174 27.533  4.6634 27.533  4.6634  0.0000  0.0000 356.823 31.174 ?       ?      0.000000       31.17395 
1 1 1 4   23 17 o 565.297 32.318 69.113  7.7046 0.0000  0.0000  69.113  7.7046 ?       ?      565.297 32.318 0.000000       32.31760 
1 1 1 4   23 18 o 328.989 23.976 23.312  3.3174 22.963  4.5030  23.726  4.9059 323.993 33.292 328.562 35.839 -4.569305      48.91642 
1 1 1 4   23 19 o 874.184 23.113 163.909 8.5567 162.609 11.760  165.371 12.474 865.606 32.080 871.769 33.788 -6.163025      46.59111 
1 1 1 4   23 20 o 137.284 42.839 4.1944  2.7616 4.1944  2.7616  0.0000  0.0000 137.284 42.839 ?       ?      0.000000       42.83891 
1 1 1 4   23 21 o 474.461 23.406 48.508  4.7030 45.462  6.2639  52.444  7.1200 454.506 32.763 487.197 34.736 -32.69043      47.74985 
1 1 1 4   23 22 o 191.698 33.513 8.3298  2.6216 8.3791  3.3740  8.2548  4.1644 188.768 43.147 184.876 51.355 3.892258       67.07465 
1 1 1 4   23 23 o 370.216 24.399 29.885  3.8038 25.080  5.0071  36.443  5.8495 333.333 36.044 403.339 34.580 -70.00595      49.94949 
1 1 1 4   23 24 o 462.838 31.882 47.885  6.2109 47.885  6.2109  0.0000  0.0000 462.838 31.882 ?       ?      0.000000       31.88169 
1 1 1 4   23 25 o 239.494 41.588 13.611  4.0650 0.0000  0.0000  13.611  4.0650 ?       ?      239.494 41.588 0.000000       41.58781 
1 1 1 4   24 0  o 117.558 22.894 3.0423  1.0988 1.2915  1.7896  4.1017  1.3921 90.707  34.190 136.639 24.978 -45.93139      42.34174 
1 1 1 4   24 1  o 352.505 14.501 26.366  2.1647 29.418  3.6101  24.653  2.7050 371.045 23.089 340.100 18.854 30.94455       29.80940 
1 1 1 4   24 2  o 192.341 23.909 7.9952  1.9055 7.8949  2.4782  8.1402  2.9801 189.650 31.995 191.499 38.087 -1.849365      49.74260 
1 1 1 4   24 3  o 674.344 18.790 96.594  5.3660 103.034 7.4026  89.462  7.7897 695.599 25.129 647.662 28.400 47.93726       37.92187 
1 1 1 4   24 4  o 693.642 18.922 102.188 5.5582 101.208 7.7277  103.237 8.0004 689.315 26.472 696.086 27.140 -6.770874      37.91236 
1 1 1 4   24 5  o 773.288 27.858 127.425 9.1230 0.0000  0.0000  127.425 9.1230 ?       ?      773.288 27.858 0.000000       27.85811 
1 1 1 4   24 6  f 801.449 28.445 136.897 9.6544 0.0000  0.0000  136.897 9.6544 ?       ?      801.449 28.445 0.000000       28.44492 
1 1 1 4   24 7  o 151.093 26.018 4.9970  1.6047 5.7815  2.3109  4.2663  2.2301 161.393 34.831 138.783 37.191 22.60992       50.95464 
1 1 1 4   24 8  f 323.133 20.254 22.273  2.7576 21.522  3.7999  23.110  4.0083 316.427 28.668 327.902 29.169 -11.47577      40.89861 
1 1 1 4   24 9  f 993.455 21.596 209.867 9.0859 206.217 12.659  213.745 13.049 982.745 30.417 1000.42 30.800 -17.67059      43.28721 
1 1 1 4   24 10 o 160.283 28.666 5.6460  1.8744 6.6328  2.6019  4.5813  2.7026 172.663 36.713 144.326 41.806 28.33678       55.63808 
1 1 1 4   24 11 o 316.021 21.622 21.349  2.8763 21.885  3.9323  20.733  4.2183 318.706 29.468 309.507 32.677 9.198700       44.00159 
1 1 1 4   24 12 o 340.674 21.912 24.809  3.1445 19.582  4.2336  31.239  4.6962 300.338 33.878 381.158 29.318 -80.82074      44.80248 
1 1 1 4   24 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   24 14 o 457.277 21.469 44.527  4.1575 50.429  5.7708  38.158  5.9948 484.848 28.227 420.226 33.977 64.62158       44.17239 
1 1 1 4   24 15 o 1011.45 31.690 219.538 13.574 219.538 13.574  0.0000  0.0000 1011.45 31.690 ?       ?      0.000000       31.69003 
1 1 1 4   24 16 o 775.297 32.366 129.402 10.627 0.0000  0.0000  129.402 10.627 ?       ?      775.297 32.366 0.000000       32.36603 
1 1 1 4   24 17 o 741.788 32.495 118.892 10.208 0.0000  0.0000  118.892 10.208 ?       ?      741.788 32.495 0.000000       32.49525 
1 1 1 4   24 18 o 658.483 22.239 92.846  6.2016 81.086  8.3765  107.112 9.2256 610.717 32.505 703.598 30.962 -92.88043      44.89075 
1 1 1 4   24 19 o 548.555 22.149 64.523  5.1453 66.565  7.0309  62.169  7.5498 553.482 30.109 533.170 33.609 20.31287       45.12360 
1 1 1 4   24 20 o 466.908 22.646 46.850  4.4777 40.390  6.0035  54.949  6.7221 428.702 33.330 501.157 31.838 -72.45483      46.09296 
1 1 1 4   24 21 o 304.837 25.781 20.273  3.2970 16.573  4.2582  25.812  5.2097 270.602 38.222 339.360 36.842 -68.75806      53.08693 
1 1 1 4   24 22 o 194.510 32.237 8.5495  2.5625 5.0320  3.2610  14.228  4.1432 147.279 46.636 248.119 40.852 -100.8402      61.99881 
1 1 1 4   24 23 o 221.346 29.928 10.967  2.7334 13.248  3.5309  7.5555  4.3182 241.090 35.659 175.611 53.354 65.47955       64.17329 
1 1 1 4   24 24 o 125.483 42.137 3.5594  2.6432 3.5594  2.6432  0.0000  0.0000 125.483 42.137 ?       ?      0.000000       42.13742 
1 1 1 4   24 25 o 98.642  39.116 1.4776  2.4333 0.0000  0.0000  1.4776  2.4333 ?       ?      98.642  39.116 0.000000       39.11628 
1 1 1 4   25 0  o 277.553 18.071 16.431  2.1125 15.592  2.8156  17.512  3.1953 269.435 24.960 285.387 26.751 -15.95245      36.58677 
1 1 1 4   25 1  o 907.251 18.392 174.828 7.0666 165.992 9.7915  184.434 10.209 882.625 26.196 930.428 25.909 -47.80328      36.84405 
1 1 1 4   25 2  o 483.839 23.944 49.820  4.9063 49.820  4.9063  0.0000  0.0000 483.839 23.944 ?       ?      0.000000       23.94448 
1 1 1 4   25 3  o 1335.55 32.788 381.156 18.545 0.0000  0.0000  381.156 18.545 ?       ?      1335.55 32.788 0.000000       32.78802 
1 1 1 4   25 4  o 433.770 19.467 39.967  3.5760 0.0000  0.0000  39.967  3.5760 ?       ?      433.770 19.467 0.000000       19.46697 
1 1 1 4   25 5  o 1420.33 24.032 429.206 14.455 0.0000  0.0000  429.206 14.455 ?       ?      1420.33 24.032 0.000000       24.03204 
1 1 1 4   25 6  o 744.005 19.438 117.583 6.1244 110.410 8.5455  125.157 8.7816 719.726 28.037 766.457 27.055 -46.73102      38.96185 
1 1 1 4   25 7  o 160.125 25.333 5.5912  1.6607 3.5340  2.3578  7.6165  2.3394 128.339 39.507 186.506 30.687 -58.16772      50.02491 
1 1 1 4   25 8  o 252.318 21.827 13.639  2.3093 13.999  3.2268  13.261  3.3065 254.258 30.581 247.028 32.386 7.229279       44.54303 
1 1 1 4   25 9  o 153.888 28.680 5.2148  1.8003 5.0827  2.4996  5.3572  2.5950 150.991 38.862 154.940 39.446 -3.949112      55.37379 
1 1 1 4   25 10 o 248.104 22.856 13.215  2.3745 15.382  3.2620  10.773  3.4631 266.744 29.363 220.800 38.432 45.94392       48.36510 
1 1 1 4   25 11 o 291.585 22.174 18.206  2.7176 12.642  3.7378  24.445  3.9582 239.577 38.118 337.157 27.975 -97.57977      47.28143 
1 1 1 4   25 12 o 762.933 21.146 123.907 6.8320 119.490 9.4256  128.797 9.9171 747.262 29.785 775.708 30.188 -28.44617      42.40829 
1 1 1 4   25 13 o 708.471 31.066 107.544 9.3208 0.0000  0.0000  107.544 9.3208 ?       ?      708.471 31.066 0.000000       31.06616 
1 1 1 4   25 14 o 541.898 29.017 63.034  6.6350 63.034  6.6350  0.0000  0.0000 541.898 29.017 ?       ?      0.000000       29.01720 
1 1 1 4   25 15 o 747.505 21.705 119.138 6.8710 121.177 9.4288  116.829 10.034 751.641 29.621 737.196 32.139 14.44495       43.70703 
1 1 1 4   25 16 o 289.774 36.988 18.484  4.4355 0.0000  0.0000  18.484  4.4355 ?       ?      289.774 36.988 0.000000       36.98831 
1 1 1 4   25 17 o 787.385 22.287 132.664 7.4316 123.447 10.106  143.520 10.967 755.566 31.583 814.572 31.791 -59.00580      44.81246 
1 1 1 4   25 18 o 370.999 22.781 29.624  3.5619 31.461  4.8395  27.452  5.2616 380.055 30.320 352.938 35.693 27.11700       46.83286 
1 1 1 4   25 19 o 222.043 27.300 10.802  2.5130 7.4847  3.3961  14.817  3.7361 179.739 44.781 258.092 35.093 -78.35361      56.89283 
1 1 1 4   25 20 o 248.893 25.820 13.528  2.6819 11.636  3.5743  15.966  4.0569 226.371 38.673 266.706 36.908 -40.33446      53.45850 
1 1 1 4   25 21 f 169.673 32.978 6.5471  2.2843 5.0802  2.8981  8.9532  3.7116 147.748 43.435 194.300 45.847 -46.55237      63.15464 
1 1 1 4   25 22 o 332.132 24.354 24.080  3.4016 23.458  4.5379  24.879  5.1393 323.474 33.618 331.165 37.294 -7.691315      50.20942 
1 1 1 4   25 23 o 276.603 34.245 17.346  3.9256 17.346  3.9256  0.0000  0.0000 276.603 34.245 ?       ?      0.000000       34.24451 
1 1 1 4   25 24 o 192.194 50.339 9.2805  4.1460 0.0000  0.0000  9.2805  4.1460 ?       ?      192.194 50.339 0.000000       50.33934 
1 1 1 4   25 25 o 234.643 44.654 13.346  4.2751 0.0000  0.0000  13.346  4.2751 ?       ?      234.643 44.654 0.000000       44.65433 
1 1 1 4   26 0  o 296.946 17.950 18.792  2.2466 17.284  2.9723  20.803  3.4313 283.837 24.982 311.400 26.265 -27.56345      36.24809 
1 1 1 4   26 1  o 516.050 25.662 56.714  5.6083 0.0000  0.0000  56.714  5.6083 ?       ?      516.050 25.662 0.000000       25.66245 
1 1 1 4   26 2  o 430.128 25.944 39.543  4.7037 0.0000  0.0000  39.543  4.7037 ?       ?      430.128 25.944 0.000000       25.94411 
1 1 1 4   26 3  o 638.044 18.956 86.464  5.1220 0.0000  0.0000  86.464  5.1220 ?       ?      638.044 18.956 0.000000       18.95594 
1 1 1 4   26 4  o 611.737 15.409 79.400  3.9919 87.286  6.6594  74.977  4.9872 640.402 24.555 594.062 19.823 46.34003       31.55811 
1 1 1 4   26 5  o 574.309 15.698 69.989  3.8179 66.013  6.3818  72.205  4.7647 556.594 27.074 583.014 19.298 -26.42023      33.24802 
1 1 1 4   26 6  o 492.907 18.682 51.605  3.8997 49.928  5.3972  53.438  5.6407 483.364 26.467 500.069 26.732 -16.70502      37.61809 
1 1 1 4   26 7  o 398.121 19.081 33.676  3.2170 29.303  4.4591  38.422  4.6457 369.494 28.722 423.858 26.007 -54.36319      38.74697 
1 1 1 4   26 8  o 628.209 19.539 83.880  5.1982 81.733  7.2158  86.196  7.4950 618.973 27.528 635.591 27.845 -16.61768      39.15518 
1 1 1 4   26 9  o 1175.97 22.655 294.417 11.283 301.893 15.764  286.566 16.155 1187.87 31.337 1156.69 32.980 31.18799       45.49366 
1 1 1 4   26 10 o 444.406 20.229 42.013  3.8071 43.841  5.2933  40.054  5.4795 452.221 27.774 431.682 30.163 20.53867       41.00241 
1 1 1 4   26 11 o 390.714 21.193 32.592  3.4936 28.944  4.7312  36.967  5.1806 366.394 30.777 414.617 29.702 -48.22269      42.77139 
1 1 1 4   26 12 o 325.997 21.970 22.739  3.0154 20.728  4.1413  25.008  4.3992 309.306 32.082 340.300 30.861 -30.99387      44.51629 
1 1 1 4   26 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   26 14 o 168.372 41.223 6.3845  2.9158 6.3845  2.9158  0.0000  0.0000 168.372 41.223 ?       ?      0.000000       41.22300 
1 1 1 4   26 15 o 412.891 32.491 36.944  5.6354 0.0000  0.0000  36.944  5.6354 ?       ?      412.891 32.491 0.000000       32.49134 
1 1 1 4   26 16 o 166.384 31.263 6.1605  2.1219 6.6108  2.8231  5.5759  3.2171 170.754 39.780 157.212 45.633 13.54211       60.53753 
1 1 1 4   26 17 o 419.502 22.519 37.808  3.9861 39.568  5.5263  35.900  5.7550 426.554 30.800 405.077 33.858 21.47742       45.77100 
1 1 1 4   26 18 o 223.683 26.507 10.933  2.4621 7.8785  3.2621  14.975  3.7530 185.091 42.512 259.656 35.024 -74.56577      55.08143 
1 1 1 4   26 19 o 229.735 26.244 11.540  2.5075 9.4276  3.3283  14.313  3.8131 203.101 40.120 252.721 36.702 -49.62007      54.37448 
1 1 1 4   26 20 o 365.133 23.216 28.875  3.5712 23.683  4.7680  35.511  5.3899 325.794 35.113 401.211 31.988 -75.41705      47.49884 
1 1 1 4   26 21 o 246.712 26.433 13.406  2.7187 11.198  3.6093  16.302  4.1334 219.721 40.274 267.485 37.521 -47.76437      55.04377 
1 1 1 4   26 22 o 338.954 24.760 25.133  3.5295 27.834  4.6977  21.632  5.3485 353.252 31.741 305.003 42.568 48.24911       53.09912 
1 1 1 4   26 23 o 288.859 35.061 19.049  4.2010 19.049  4.2010  0.0000  0.0000 288.859 35.061 ?       ?      0.000000       35.06060 
1 1 1 4   26 24 f 247.709 46.881 15.026  4.7379 0.0000  0.0000  15.026  4.7379 ?       ?      247.709 46.881 0.000000       46.88135 
1 1 1 4   27 0  o 191.501 30.981 8.0254  2.4267 0.0000  0.0000  8.0254  2.4267 ?       ?      191.501 30.981 0.000000       30.98099 
1 1 1 4   27 1  o 997.874 28.767 212.363 12.157 0.0000  0.0000  212.363 12.157 ?       ?      997.874 28.767 0.000000       28.76700 
1 1 1 4   27 2  o 683.936 14.694 99.235  4.2559 103.667 7.0489  96.692  5.3388 697.968 23.847 674.724 18.684 23.24377       30.29524 
1 1 1 4   27 3  f 488.719 15.046 50.676  3.1139 53.081  5.0821  49.230  3.9402 499.414 24.029 481.384 19.328 18.03030       30.83793 
1 1 1 4   27 4  o 471.243 15.289 47.121  3.0511 47.753  4.9938  46.744  3.8542 472.916 25.024 469.057 19.403 3.859100       31.66488 
1 1 1 4   27 5  o 348.741 16.464 25.817  2.4315 24.595  3.9826  26.543  3.0701 338.453 28.039 352.762 20.641 -14.30923      34.81690 
1 1 1 4   27 6  o 364.904 16.670 28.270  2.5761 32.553  4.3692  25.988  3.1894 389.883 26.621 348.878 21.694 41.00491       34.34145 
1 1 1 4   27 7  o 188.354 23.998 7.6758  1.8707 11.169  2.6199  4.0416  2.6721 227.128 27.819 136.840 42.047 90.28761       50.41703 
1 1 1 4   27 8  o 507.323 19.284 54.716  4.1431 47.592  5.7136  62.616  6.0166 471.140 28.774 541.794 26.222 -70.65411      38.93038 
1 1 1 4   27 9  f 523.283 19.728 58.240  4.3718 58.576  6.0681  57.877  6.3040 522.996 27.494 519.582 28.761 3.414612       39.78870 
1 1 1 4   27 10 o 538.555 19.819 61.706  4.5202 62.473  6.2604  60.872  6.5333 540.039 27.464 532.685 29.071 7.353027       39.99282 
1 1 1 4   27 11 o 175.811 27.280 6.7579  1.9653 6.1712  2.7503  7.3700  2.8093 165.833 39.691 181.698 37.743 -15.86513      54.77201 
1 1 1 4   27 12 o 630.828 20.632 84.728  5.5119 80.434  7.6320  89.409  7.9688 612.901 29.404 646.265 29.116 -33.36304      41.38056 
1 1 1 4   27 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   27 14 o 275.140 35.504 16.598  4.0404 0.0000  0.0000  16.598  4.0404 ?       ?      275.140 35.504 0.000000       35.50410 
1 1 1 4   27 15 o 497.873 31.138 53.635  6.5323 0.0000  0.0000  53.635  6.5323 ?       ?      497.873 31.138 0.000000       31.13831 
1 1 1 4   27 16 o 308.977 23.407 20.572  3.0401 18.826  4.1065  22.690  4.5220 292.724 33.744 321.715 33.691 -28.99011      47.68349 
1 1 1 4   27 17 o 734.156 22.071 115.542 6.8619 113.075 9.4201  118.332 10.016 722.096 30.805 737.973 32.048 -15.87671      44.45222 
1 1 1 4   27 18 o 366.758 22.809 29.007  3.5251 27.019  4.7546  31.434  5.2533 350.697 32.379 378.155 33.137 -27.45789      46.33051 
1 1 1 4   27 19 o 270.786 24.561 15.949  2.7859 16.948  3.7440  14.711  4.1701 276.509 32.600 254.506 40.011 22.00363       51.61042 
1 1 1 4   27 20 o 276.490 24.814 16.701  2.8746 16.892  3.8656  16.465  4.2996 274.495 33.980 268.704 38.917 5.791107       51.66386 
1 1 1 4   27 21 o 133.603 36.430 4.1379  2.1179 4.7736  2.7521  3.2145  3.3168 142.850 42.414 126.664 46.779 16.18629       63.14394 
1 1 1 4   27 22 o 198.826 41.046 9.3296  3.3416 9.3296  3.3416  0.0000  0.0000 198.826 41.046 ?       ?      0.000000       41.04570 
1 1 1 4   27 23 o 113.105 37.062 2.8781  2.0481 2.5513  2.5581  3.4617  3.4184 112.093 41.132 128.049 47.450 -15.95599      62.79634 
1 1 1 4   27 24 o 109.812 45.637 1.4349  3.4991 0.0000  0.0000  1.4349  3.4991 ?       ?      109.812 45.637 0.000000       45.63682 
1 1 1 4   28 0  o 298.509 13.532 18.899  1.7107 18.645  2.4282  19.151  2.4105 295.587 19.507 299.636 19.096 -4.048950      27.29818 
1 1 1 4   28 1  o 501.983 14.357 53.457  3.0522 54.227  4.9094  52.972  3.8967 504.847 22.963 499.398 18.425 5.449158       29.44109 
1 1 1 4   28 2  o 671.511 14.603 95.669  4.1529 90.852  6.7989  98.535  5.2450 653.220 24.577 681.132 18.183 -27.91187      30.57253 
1 1 1 4   28 3  o 667.651 14.878 94.583  4.2066 96.976  6.9264  93.184  5.2949 674.891 24.234 662.279 18.879 12.61224       30.71975 
1 1 1 4   28 4  o 389.423 15.894 32.189  2.6212 32.505  4.2427  31.995  3.3335 389.710 25.854 387.409 20.390 2.300323       32.92727 
1 1 1 4   28 5  o 104.980 29.776 2.4140  1.3848 4.9945  2.2788  0.9029  1.7438 149.657 36.322 84.810  33.277 64.84734       49.26150 
1 1 1 4   28 6  o 259.297 19.002 14.366  2.0721 13.792  3.4653  14.686  2.5852 251.644 33.338 261.550 23.593 -9.905228      40.84178 
1 1 1 4   28 7  o 672.456 16.312 96.032  4.6454 102.982 7.7061  92.064  5.8222 694.762 26.191 657.802 20.900 36.96057       33.50801 
1 1 1 4   28 8  o 317.487 20.182 21.530  2.6994 20.342  3.7541  22.802  3.8842 307.077 29.220 325.411 28.472 -18.33414      40.79798 
1 1 1 4   28 9  o 759.739 20.143 122.829 6.4808 121.257 9.0168  124.508 9.3213 753.056 28.273 762.930 28.850 -9.873779      40.39460 
1 1 1 4   28 10 o 619.932 27.834 82.186  7.3074 82.186  7.3074  0.0000  0.0000 619.932 27.834 ?       ?      0.000000       27.83401 
1 1 1 4   28 11 o 267.231 22.680 15.331  2.5425 15.920  3.5152  14.685  3.6819 270.738 31.232 259.180 34.394 11.55743       46.45849 
1 1 1 4   28 12 o 145.380 41.342 4.6990  2.6661 4.6990  2.6661  0.0000  0.0000 145.380 41.342 ?       ?      0.000000       41.34198 
1 1 1 4   28 13 o 729.923 20.955 113.564 6.4776 107.009 8.9513  120.770 9.3855 706.128 29.934 750.288 29.538 -44.15955      42.05397 
1 1 1 4   28 14 o 925.249 32.044 184.577 12.556 0.0000  0.0000  184.577 12.556 ?       ?      925.249 32.044 0.000000       32.04413 
1 1 1 4   28 15 o 400.690 21.595 34.427  3.6509 37.261  4.9931  31.171  5.3518 414.998 28.585 377.756 33.811 37.24191       44.27520 
1 1 1 4   28 16 o 814.724 22.147 142.234 7.6413 145.048 10.482  139.042 11.163 818.571 30.237 799.806 32.958 18.76532       44.72700 
1 1 1 4   28 17 o 263.457 25.803 15.101  2.8420 11.976  3.9558  18.434  4.0857 229.077 42.335 288.678 34.077 -59.60127      54.34646 
1 1 1 4   28 18 o 416.851 22.024 37.436  3.8742 32.062  5.2061  44.106  5.7997 381.783 32.509 449.051 30.681 -67.26776      44.70105 
1 1 1 4   28 19 o 201.243 28.344 8.9778  2.3487 7.3604  3.0261  11.429  3.7249 177.928 41.002 222.771 40.994 -44.84340      57.98030 
1 1 1 4   28 20 o 338.095 23.758 24.906  3.3801 24.102  4.4951  25.953  5.1273 328.456 32.753 338.998 36.278 -10.54199      48.87571 
1 1 1 4   28 21 o 241.279 26.405 12.867  2.6540 12.595  3.4550  13.259  4.1452 234.660 35.909 237.394 42.806 -2.733978      55.87337 
1 1 1 4   28 22 o 274.648 34.295 17.190  3.9019 17.190  3.9019  0.0000  0.0000 274.648 34.295 ?       ?      0.000000       34.29493 
1 1 1 4   28 23 o 213.384 44.623 11.121  3.9027 0.0000  0.0000  11.121  3.9027 ?       ?      213.384 44.623 0.000000       44.62285 
1 1 1 4   28 24 o 93.499  36.060 1.4946  2.0204 1.1644  2.4718  2.1591  3.5070 95.479  38.877 115.712 46.595 -20.23278      60.68367 
1 1 1 4   29 0  o 495.439 13.765 52.070  2.8882 50.206  4.7021  53.199  3.6599 485.712 22.860 500.520 17.267 -14.80838      28.64801 
1 1 1 4   29 1  o 376.607 14.695 30.096  2.3437 33.126  3.7779  28.200  2.9881 393.886 22.745 363.752 19.468 30.13394       29.93942 
1 1 1 4   29 2  o 701.152 14.802 104.323 4.3953 110.363 7.2069  100.746 5.5461 719.956 23.637 688.542 19.020 31.41376       30.33949 
1 1 1 4   29 3  o 365.941 15.440 28.424  2.3928 33.229  3.8797  25.474  3.0398 394.377 23.333 345.465 20.876 48.91202       31.30885 
1 1 1 4   29 4  o 407.527 15.372 35.253  2.6529 35.488  4.2885  35.107  3.3764 407.310 24.983 406.370 19.620 0.9403992      31.76591 
1 1 1 4   29 5  f 345.841 16.781 25.404  2.4577 25.900  3.9387  25.088  3.1452 347.337 26.988 342.641 21.788 4.695282       34.68584 
1 1 1 4   29 6  o 275.376 18.943 16.198  2.1957 15.847  3.6096  16.404  2.7664 270.136 32.186 276.433 23.865 -6.297180      40.06812 
1 1 1 4   29 7  o 379.318 17.385 30.577  2.7927 30.230  4.4966  30.795  3.5631 374.958 28.532 379.589 22.263 -4.630737      36.18967 
1 1 1 4   29 8  o 343.609 17.607 25.163  2.5535 23.797  3.8870  26.199  3.3869 332.488 27.862 349.856 22.987 -17.36725      36.12112 
1 1 1 4   29 9  o 184.001 25.623 7.3659  1.9424 6.6458  2.6602  8.1884  2.8430 172.357 37.511 191.983 36.297 -19.62584      52.19721 
1 1 1 4   29 10 o 477.457 19.705 48.522  3.9844 44.881  5.5627  52.359  5.7097 456.950 28.895 494.043 27.397 -37.09256      39.81853 
1 1 1 4   29 11 o 680.579 28.150 99.155  8.1135 99.155  8.1135  0.0000  0.0000 680.579 28.150 ?       ?      0.000000       28.15043 
1 1 1 4   29 12 o 581.444 28.153 72.432  6.9323 72.432  6.9323  0.0000  0.0000 581.444 28.153 ?       ?      0.000000       28.15296 
1 1 1 4   29 13 o 505.777 30.087 55.190  6.4152 0.0000  0.0000  55.190  6.4152 ?       ?      505.777 30.087 0.000000       30.08673 
1 1 1 4   29 14 o 673.313 21.104 96.858  6.0177 93.001  8.2836  101.168 8.7569 656.878 29.778 684.947 30.189 -28.06952      42.40372 
1 1 1 4   29 15 o 507.067 21.489 55.034  4.6145 52.185  6.4133  58.093  6.6446 489.994 31.067 517.332 30.463 -27.33798      43.51066 
1 1 1 4   29 16 f 250.081 26.012 13.619  2.7146 18.845  3.8635  8.5241  3.8149 292.855 31.655 191.372 47.334 101.4829       56.94371 
1 1 1 4   29 17 o 239.892 26.722 12.586  2.6686 13.974  3.7986  11.233  3.7498 249.500 37.078 221.633 41.475 27.86658       55.63277 
1 1 1 4   29 18 o 189.504 28.418 7.9662  2.2103 8.8512  2.8870  6.7126  3.4360 197.567 35.824 169.184 46.512 28.38261       58.70912 
1 1 1 4   29 19 o 102.216 34.205 2.2165  1.7416 1.7233  2.2088  3.0272  2.8315 100.113 37.923 121.606 43.459 -21.49334      57.67895 
1 1 1 4   29 20 o 599.735 21.983 77.873  5.5834 71.559  7.4503  85.963  8.4327 567.961 31.093 621.684 32.140 -53.72247      44.71854 
1 1 1 4   29 21 o 120.115 41.414 3.1420  2.5555 3.1420  2.5555  0.0000  0.0000 120.115 41.414 ?       ?      0.000000       41.41422 
1 1 1 4   29 22 o 241.134 40.950 13.790  4.0322 0.0000  0.0000  13.790  4.0322 ?       ?      241.134 40.950 0.000000       40.95033 
1 1 1 4   29 23 o 281.653 39.809 18.767  4.6160 0.0000  0.0000  18.767  4.6160 ?       ?      281.653 39.809 0.000000       39.80932 
1 1 1 4   30 0  o 650.970 12.439 89.875  3.4291 87.287  4.8683  92.423  4.8310 640.972 17.935 659.637 17.294 -18.66467      24.91427 
1 1 1 4   30 1  o 429.578 14.278 39.159  2.5974 38.910  4.1515  39.319  3.3296 426.862 23.051 430.159 18.278 -3.297211      29.41792 
1 1 1 4   30 2  o 120.714 23.670 3.2106  1.1668 1.9220  1.9117  3.9756  1.4729 101.193 35.757 134.162 26.861 -32.96935      44.72271 
1 1 1 4   30 3  o 260.289 17.282 14.456  1.8942 14.094  2.9983  14.697  2.4436 255.358 28.196 261.805 22.251 -6.446869      35.91812 
1 1 1 4   30 4  o 507.458 15.044 54.669  3.2331 57.402  5.2904  53.040  4.0845 518.941 24.073 499.420 19.312 19.52094       30.86204 
1 1 1 4   30 5  o 669.072 15.702 95.069  4.4490 100.620 7.2621  91.733  5.6291 686.790 24.969 656.591 20.244 30.19885       32.14434 
1 1 1 4   30 6  o 298.810 17.565 19.044  2.2130 21.450  3.5850  17.562  2.8129 315.710 27.076 286.082 23.423 29.62784       35.80120 
1 1 1 4   30 7  o 503.847 16.291 53.939  3.4760 53.680  5.6809  54.093  4.3948 500.461 26.903 504.054 20.588 -3.593140      33.87680 
1 1 1 4   30 8  o 478.321 17.127 48.636  3.4692 49.561  5.6709  48.083  4.3856 480.483 27.991 475.017 21.801 5.466553       35.47921 
1 1 1 4   30 9  f 224.509 22.971 10.860  2.1532 10.939  2.8947  10.763  3.2218 223.678 31.426 220.879 35.657 2.798843       47.52886 
1 1 1 4   30 10 o 565.740 27.726 68.507  6.6427 68.507  6.6427  0.0000  0.0000 565.740 27.726 ?       ?      0.000000       27.72558 
1 1 1 4   30 11 o 480.548 19.851 49.186  4.0397 41.697  5.5048  57.926  5.9469 439.896 29.724 519.498 27.125 -79.60193      40.24017 
1 1 1 4   30 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   30 13 o 793.942 21.004 134.625 7.0622 116.994 9.7120  154.407 10.288 736.362 31.144 847.151 28.676 -110.7886      42.33481 
1 1 1 4   30 14 o 186.545 29.677 7.6905  2.2659 10.455  3.3127  5.2603  3.1062 215.904 37.597 152.581 44.999 63.32300       58.63811 
1 1 1 4   30 15 o 167.613 32.445 6.3048  2.2198 5.9579  3.2710  6.6010  3.0222 161.085 45.787 169.440 42.260 -8.355270      62.30849 
1 1 1 4   30 16 o 224.491 26.610 11.033  2.4806 11.135  3.6155  10.942  3.4097 221.230 40.065 219.998 37.970 1.231689       55.19933 
1 1 1 4   30 17 o 327.583 23.886 23.253  3.2908 23.337  4.5351  23.159  4.7825 324.684 33.462 322.519 35.609 2.165100       48.86393 
1 1 1 4   30 18 o 189.252 28.378 7.9669  2.2043 8.4727  2.9596  7.3368  3.3032 192.093 37.728 176.508 44.269 15.58536       58.16486 
1 1 1 4   30 19 o 236.707 25.204 12.327  2.4877 10.923  3.2492  14.315  3.8671 218.298 36.431 249.914 37.712 -31.61650      52.43440 
1 1 1 4   30 20 o 281.352 32.907 17.849  3.8467 17.849  3.8467  0.0000  0.0000 281.352 32.907 ?       ?      0.000000       32.90655 
1 1 1 4   30 21 o 92.267  37.382 1.0491  2.2722 1.0491  2.2722  0.0000  0.0000 92.267  37.382 ?       ?      0.000000       37.38235 
1 1 1 4   30 22 o 119.121 43.230 3.0458  2.8144 0.0000  0.0000  3.0458  2.8144 ?       ?      119.121 43.230 0.000000       43.22991 
1 1 1 4   30 23 o 130.253 36.672 4.0397  2.1087 2.2258  2.7469  6.6420  3.2903 109.186 42.064 163.085 45.771 -53.89876      62.16427 
1 1 1 4   31 0  o 437.573 14.638 40.643  2.7125 37.681  3.3427  46.354  4.6418 420.996 18.749 465.807 23.608 -44.81107      30.14704 
1 1 1 4   31 1  o 414.225 14.527 36.421  2.5483 38.161  4.0940  35.320  3.2560 422.616 22.961 407.575 18.864 15.04114       29.71619 
1 1 1 4   31 2  o 374.741 15.044 29.816  2.3874 27.850  3.8017  31.096  3.0678 360.470 25.059 382.400 18.944 -21.93005      31.41398 
1 1 1 4   31 3  o 609.600 14.941 78.902  3.8572 75.422  6.2245  81.071  4.9145 594.605 24.719 617.434 18.795 -22.82977      31.05289 
1 1 1 4   31 4  o 465.385 15.530 46.000  3.0608 41.903  4.9161  48.593  3.9114 442.153 26.375 477.926 19.326 -35.77310      32.69704 
1 1 1 4   31 5  o 420.826 15.816 37.621  2.8187 35.010  4.4919  39.317  3.6201 403.953 26.403 429.802 19.889 -25.84866      33.05550 
1 1 1 4   31 6  o 560.127 16.297 66.670  3.8657 76.957  6.2016  60.133  4.9436 600.472 24.387 531.188 21.976 69.28412       32.82837 
1 1 1 4   31 7  o 97.045  32.479 1.9079  1.5703 2.0422  2.6126  1.8320  1.9648 110.775 41.396 100.353 36.165 10.42161       54.96867 
1 1 1 4   31 8  o 398.194 29.159 34.152  4.8830 34.152  4.8830  0.0000  0.0000 398.194 29.159 ?       ?      0.000000       29.15929 
1 1 1 4   31 9  o 144.325 39.201 4.6570  2.4580 2.4511  2.8946  10.360  4.6542 118.450 43.709 212.979 52.044 -94.52875      67.96348 
1 1 1 4   31 10 o 356.591 20.848 27.193  3.1346 26.229  4.3413  28.243  4.5309 348.413 29.706 361.596 29.855 -13.18365      42.11636 
1 1 1 4   31 11 o 177.936 45.742 7.1956  3.4659 0.0000  0.0000  7.1956  3.4659 ?       ?      177.936 45.742 0.000000       45.74179 
1 1 1 4   31 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   31 13 o 623.479 20.798 83.107  5.4914 87.381  7.7096  78.705  7.8236 636.603 28.597 602.594 30.760 34.00940       41.99962 
1 1 1 4   31 14 f 179.019 30.645 7.1297  2.2398 10.291  3.3459  4.5631  3.0149 213.542 38.411 143.132 44.776 70.40997       58.99411 
1 1 1 4   31 15 o 182.764 29.844 7.4260  2.2302 5.9980  3.2870  8.6441  3.0358 161.181 45.928 194.998 38.129 -33.81706      59.69208 
1 1 1 4   31 16 o 638.262 21.559 87.521  5.8274 88.129  8.0657  86.856  8.4287 636.241 29.935 629.870 31.700 6.370667       43.60007 
1 1 1 4   31 17 o 350.445 22.928 26.596  3.3840 25.035  4.6842  28.300  4.8939 335.820 33.380 357.554 32.682 -21.73328      46.71492 
1 1 1 4   31 18 o 178.693 29.520 7.1739  2.1559 6.5461  2.8852  7.9675  3.2440 166.840 41.103 183.784 42.524 -16.94432      59.14212 
1 1 1 4   31 19 o 268.728 24.506 15.856  2.7582 15.082  3.6805  16.848  4.1658 257.581 34.616 271.049 37.279 -13.46783      50.87217 
1 1 1 4   31 20 f 143.667 40.254 4.8907  2.5471 4.8907  2.5471  0.0000  0.0000 143.667 40.254 ?       ?      0.000000       40.25425 
1 1 1 4   31 21 o 433.579 34.481 42.896  6.2791 0.0000  0.0000  42.896  6.2791 ?       ?      433.579 34.481 0.000000       34.48149 
1 1 1 4   31 22 o 179.573 30.898 7.4330  2.2650 9.2125  2.9252  4.7688  3.5792 197.575 36.298 140.939 48.989 56.63609       60.97075 
1 1 1 4   31 23 o 330.937 23.844 24.204  3.3193 26.452  4.4747  21.454  4.9496 340.984 31.338 300.583 39.867 40.40085       50.70930 
1 1 1 4   32 0  o 255.734 17.545 13.967  1.8887 15.756  2.4094  11.115  3.0418 271.208 21.145 225.312 32.845 45.89580       39.06294 
1 1 1 4   32 1  o 310.673 15.071 20.497  1.9829 22.496  3.1852  19.232  2.5337 323.986 23.372 299.935 20.063 24.05048       30.80229 
1 1 1 4   32 2  o 691.419 14.778 101.516 4.3272 104.104 7.0552  99.955  5.4786 698.587 23.848 685.467 18.873 13.11969       30.41228 
1 1 1 4   32 3  o 169.433 22.374 6.2234  1.5662 8.7730  2.4773  4.5259  2.0214 200.188 30.157 142.307 34.005 57.88148       45.45087 
1 1 1 4   32 4  o 186.348 22.122 7.5040  1.7117 8.5198  2.6810  6.8052  2.2239 196.488 33.416 175.615 31.037 20.87234       45.60675 
1 1 1 4   32 5  o 317.900 17.080 21.548  2.2911 20.754  3.6149  22.081  2.9619 310.187 27.814 321.115 21.911 -10.92838      35.40802 
1 1 1 4   32 6  o 727.338 16.041 112.431 4.9408 116.270 7.9786  110.043 6.2925 737.570 25.544 718.699 20.674 18.87109       32.86193 
1 1 1 4   32 7  o 208.999 35.954 9.6748  3.0675 9.6748  3.0675  0.0000  0.0000 208.999 35.954 ?       ?      0.000000       35.95409 
1 1 1 4   32 8  o 482.939 21.293 49.718  4.3548 51.395  5.5806  47.108  6.9636 489.289 27.037 466.033 35.552 23.25571       44.66468 
1 1 1 4   32 9  o 543.494 21.050 62.977  4.8450 0.0000  0.0000  62.977  4.8450 ?       ?      543.494 21.050 0.000000       21.05000 
1 1 1 4   32 10 o 416.838 23.540 37.251  4.1385 0.0000  0.0000  37.251  4.1385 ?       ?      416.838 23.540 0.000000       23.54001 
1 1 1 4   32 11 o 343.394 21.800 25.295  3.1538 26.034  4.2513  24.392  4.7032 346.634 29.234 334.196 33.691 12.43802       44.60601 
1 1 1 4   32 12 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   32 13 o 240.249 25.180 12.546  2.5238 11.167  3.5633  13.935  3.5751 222.419 39.266 250.629 34.606 -28.21008      52.33953 
1 1 1 4   32 14 o 132.985 34.282 4.0132  1.9429 -1.7147 2.9402  8.4532  2.5887 82.676  37.747 194.488 32.582 -111.8119      49.86446 
1 1 1 4   32 15 o 117.926 35.932 3.0913  1.9565 4.0172  2.8756  2.2933  2.6696 134.964 43.901 112.629 41.893 22.33487       60.68198 
1 1 1 4   32 16 o 186.098 30.215 7.7370  2.2996 5.7737  3.1760  9.9002  3.3339 157.465 45.236 207.827 39.319 -50.36189      59.93576 
1 1 1 4   32 17 o 331.994 23.415 23.960  3.2710 25.743  4.6289  22.183  4.6229 340.196 32.526 314.229 35.353 25.96704       48.03944 
1 1 1 4   32 18 o 109.866 34.298 2.7051  1.7700 5.6380  2.3865  -0.8807 2.6388 155.373 36.831 81.873  36.721 73.50023       52.00948 
1 1 1 4   32 19 o 389.831 31.056 33.960  5.0844 33.960  5.0844  0.0000  0.0000 389.831 31.056 ?       ?      0.000000       31.05567 
1 1 1 4   32 20 o 351.908 22.724 27.098  3.3685 22.667  4.4233  33.216  5.1972 315.715 33.600 383.670 32.287 -67.95453      46.59808 
1 1 1 4   32 21 o 370.533 35.537 31.725  5.5080 0.0000  0.0000  31.725  5.5080 ?       ?      370.533 35.537 0.000000       35.53701 
1 1 1 4   32 22 o 247.850 25.069 13.702  2.5951 10.376  3.4260  18.179  3.9749 207.103 40.513 280.114 34.219 -73.01100      53.03086 
1 1 1 4   33 0  o 372.209 17.298 29.457  2.7266 28.446  3.6938  30.668  4.0415 364.282 24.080 378.049 25.391 -13.76651      34.99330 
1 1 1 4   33 1  o 528.880 12.961 59.368  2.9030 62.479  4.1642  56.426  4.0492 541.953 18.144 514.974 18.567 26.97949       25.96022 
1 1 1 4   33 2  o 907.937 15.722 175.164 6.0451 176.992 9.8645  174.065 7.6498 910.042 25.596 904.113 19.979 5.928650       32.47032 
1 1 1 4   33 3  o 260.740 17.557 14.524  1.9274 15.300  3.0293  13.996  2.4983 266.038 27.273 255.047 23.391 10.99055       35.92961 
1 1 1 4   33 4  o 476.942 15.382 48.334  3.1069 42.388  4.9519  52.194  3.9900 444.381 26.432 495.168 19.027 -50.78677      32.56829 
1 1 1 4   33 5  o 352.654 26.589 26.757  3.9418 26.757  3.9418  0.0000  0.0000 352.654 26.589 ?       ?      0.000000       26.58917 
1 1 1 4   33 6  o 453.363 25.890 44.100  4.9501 44.100  4.9501  0.0000  0.0000 453.363 25.890 ?       ?      0.000000       25.88965 
1 1 1 4   33 7  o 247.971 20.031 13.184  2.0855 11.480  3.3039  14.314  2.6890 228.134 35.340 257.591 24.963 -29.45724      43.26727 
1 1 1 4   33 8  o 206.303 26.765 9.2626  2.2833 0.0000  0.0000  9.2626  2.2833 ?       ?      206.303 26.765 0.000000       26.76489 
1 1 1 4   33 9  o 438.598 22.673 41.203  4.1969 0.0000  0.0000  41.203  4.1969 ?       ?      438.598 22.673 0.000000       22.67288 
1 1 1 4   33 10 o 193.204 26.590 8.1563  2.1180 11.808  3.2831  5.5534  2.7719 231.098 34.612 156.551 41.236 74.54756       53.83681 
1 1 1 4   33 11 o 442.048 18.179 41.681  3.4032 44.782  5.3438  39.565  4.4141 455.155 27.858 428.759 24.411 26.39615       37.03952 
1 1 1 4   33 12 o 328.390 34.945 23.779  4.7851 0.0000  0.0000  23.779  4.7851 ?       ?      328.390 34.945 0.000000       34.94499 
1 1 1 4   33 13 o 150.919 31.293 5.1284  1.9344 6.2588  2.7318  3.9917  2.7394 165.150 39.577 134.385 42.765 30.76556       58.26808 
1 1 1 4   33 14 o 688.093 20.994 101.637 6.1176 114.635 8.5962  88.300  8.7081 726.976 27.922 634.607 32.511 92.36847       42.85557 
1 1 1 4   33 15 o 395.823 20.922 33.758  3.4946 29.892  4.8221  38.035  5.0716 368.494 31.193 417.034 28.894 -48.54044      42.51937 
1 1 1 4   33 16 o 364.163 22.069 28.705  3.3875 23.196  4.7158  34.578  4.8691 321.776 35.180 396.689 29.189 -74.91272      45.71206 
1 1 1 4   33 17 o 187.470 27.820 7.8525  2.1417 6.9527  2.8600  9.0012  3.2316 171.907 40.032 196.017 40.276 -24.10997      56.78632 
1 1 1 4   33 18 f 141.023 40.177 4.6973  2.5156 4.6973  2.5156  0.0000  0.0000 141.023 40.177 ?       ?      0.000000       40.17717 
1 1 1 4   33 19 o 263.491 32.611 15.754  3.5612 15.754  3.5612  0.0000  0.0000 263.491 32.611 ?       ?      0.000000       32.61071 
1 1 1 4   33 20 f 187.224 45.266 8.6734  3.5495 0.0000  0.0000  8.6734  3.5495 ?       ?      187.224 45.266 0.000000       45.26582 
1 1 1 4   33 21 o 168.756 31.154 6.6092  2.1445 2.9359  2.8207  11.641  3.3011 117.137 43.160 222.174 36.342 -105.0365      56.42315 
1 1 1 4   33 22 o 256.368 25.845 14.714  2.7677 14.362  3.6322  15.202  4.2739 247.437 35.695 250.431 41.770 -2.993591      54.94416 
1 1 1 4   34 0  o 447.243 16.915 42.537  3.2037 40.943  4.3513  44.424  4.7343 437.277 23.585 455.315 24.644 -18.03748      34.11133 
1 1 1 4   34 1  o 364.950 14.033 28.286  2.1689 28.525  3.1432  28.069  2.9965 365.322 20.398 362.519 19.591 2.803711       28.28262 
1 1 1 4   34 2  f 125.220 33.427 3.4942  1.8058 1.5421  2.2507  7.0207  3.0252 100.233 38.207 176.402 41.235 -76.16866      56.21458 
1 1 1 4   34 3  o 273.716 21.906 16.081  2.5179 15.618  3.1392  16.917  4.2163 268.565 28.013 277.508 36.783 -8.942841      46.23549 
1 1 1 4   34 4  o 305.071 27.023 20.080  3.4551 20.080  3.4551  0.0000  0.0000 305.071 27.023 ?       ?      0.000000       27.02319 
1 1 1 4   34 5  o 187.430 25.567 7.6492  1.9764 11.417  2.7232  3.4551  2.8730 229.010 28.710 129.859 43.930 99.15128       52.47923 
1 1 1 4   34 6  o 336.110 21.952 24.206  3.1074 0.0000  0.0000  24.206  3.1074 ?       ?      336.110 21.952 0.000000       21.95176 
1 1 1 4   34 7  o 180.995 35.343 7.3126  2.6118 0.0000  0.0000  7.3126  2.6118 ?       ?      180.995 35.343 0.000000       35.34262 
1 1 1 4   34 8  o 557.181 16.380 66.055  3.8651 63.038  6.1870  67.985  4.9498 542.086 26.951 564.452 20.707 -22.36578      33.98695 
1 1 1 4   34 9  o 557.325 17.095 66.157  4.0349 61.456  6.4638  69.158  5.1647 533.600 28.710 568.877 21.438 -35.27631      35.83060 
1 1 1 4   34 10 o 127.544 34.874 3.6540  1.9378 3.3228  2.9258  3.9128  2.5863 127.810 44.300 133.314 41.434 -5.504288      60.65650 
1 1 1 4   34 11 o 298.806 21.290 19.219  2.6765 19.522  4.2122  19.014  3.4662 297.480 34.049 295.444 28.039 2.036621       44.10802 
1 1 1 4   34 12 o 176.696 39.196 7.1482  2.8562 0.0000  0.0000  7.1482  2.8562 ?       ?      176.696 39.196 0.000000       39.19593 
1 1 1 4   34 13 o 440.869 21.004 41.727  3.9215 50.248  5.5572  33.277  5.5345 480.758 27.409 388.101 34.017 92.65762       43.68500 
1 1 1 4   34 14 o 262.070 24.307 14.954  2.6670 16.511  3.8346  13.494  3.7117 272.079 34.024 244.456 37.011 27.62357       50.27378 
1 1 1 4   34 15 o 201.827 28.449 9.0449  2.3641 5.8290  3.2865  12.493  3.4032 157.664 46.226 235.233 35.248 -77.56859      58.13165 
1 1 1 4   34 16 o 169.158 30.657 6.4807  2.1153 5.3317  3.0664  7.5239  2.9219 150.405 44.796 179.339 39.536 -28.93407      59.74778 
1 1 1 4   34 17 o 103.040 38.927 1.9260  2.3233 1.9260  2.3233  0.0000  0.0000 103.040 38.927 ?       ?      0.000000       38.92708 
1 1 1 4   34 18 o 103.547 38.997 1.9885  2.3274 1.9885  2.3274  0.0000  0.0000 103.547 38.997 ?       ?      0.000000       38.99731 
1 1 1 4   34 19 o 305.206 36.772 21.574  4.6572 0.0000  0.0000  21.574  4.6572 ?       ?      305.206 36.772 0.000000       36.77201 
1 1 1 4   34 20 o 279.076 24.208 17.283  2.8327 13.680  3.7675  21.968  4.2965 239.977 38.363 308.848 33.380 -68.87094      50.85244 
1 1 1 4   34 21 o 145.017 32.787 4.9711  1.9663 3.7779  2.5585  6.6926  3.0731 125.982 41.431 163.567 43.580 -37.58512      60.13091 
1 1 1 4   35 0  o 464.878 23.430 46.278  4.5979 46.278  4.5979  0.0000  0.0000 464.878 23.430 ?       ?      0.000000       23.43005 
1 1 1 4   35 1  o 378.835 16.128 30.516  2.5875 31.764  3.1956  28.140  4.4091 385.626 19.633 360.981 29.089 24.64508       35.09448 
1 1 1 4   35 2  o 648.360 17.683 89.460  4.8552 89.359  6.5252  89.585  7.2670 646.673 23.827 646.788 26.531 -0.1154785     35.65970 
1 1 1 4   35 3  o 494.935 18.217 52.149  3.8182 58.256  5.1708  44.826  5.6622 522.209 23.381 455.986 29.480 66.22244       37.62627 
1 1 1 4   35 4  o 227.214 26.476 11.202  2.4999 0.0000  0.0000  11.202  2.4999 ?       ?      227.214 26.476 0.000000       26.47639 
1 1 1 4   35 5  o 227.307 31.798 11.331  2.9771 0.0000  0.0000  11.331  2.9771 ?       ?      227.307 31.798 0.000000       31.79768 
1 1 1 4   35 6  o 332.544 25.003 23.804  3.4954 0.0000  0.0000  23.804  3.4954 ?       ?      332.544 25.003 0.000000       25.00308 
1 1 1 4   35 7  o 465.790 16.668 46.183  3.2879 39.439  5.0658  51.093  4.3220 427.479 28.140 489.194 20.862 -61.71490      35.02977 
1 1 1 4   35 8  o 486.800 16.992 50.483  3.5030 43.813  5.6128  54.738  4.4832 449.823 29.630 506.116 20.917 -56.29315      36.26926 
1 1 1 4   35 9  o 268.810 21.212 15.555  2.3951 18.654  3.6658  13.247  3.1638 292.289 30.043 245.518 31.128 46.77100       43.26125 
1 1 1 4   35 10 o 91.951  35.864 1.1911  2.0160 0.9210  2.8198  1.4735  2.8835 100.806 41.338 106.899 42.521 -6.093132      59.30317 
1 1 1 4   35 11 o 364.838 24.057 28.777  3.6961 26.911  4.6617  31.937  6.0654 350.073 31.791 378.652 38.353 -28.57947      49.81608 
1 1 1 4   35 12 o 369.014 19.304 29.254  3.0062 30.506  4.7066  28.391  3.9069 373.119 30.041 361.523 25.686 11.59540       39.52489 
1 1 1 4   35 13 o 411.827 18.721 36.347  3.2651 29.285  5.0184  41.530  4.2995 363.827 32.927 438.218 23.251 -74.39139      40.30894 
1 1 1 4   35 14 o 176.462 27.954 6.9371  2.0194 7.9089  2.8435  5.9482  2.8683 185.498 37.487 159.518 41.914 25.97978       56.23194 
1 1 1 4   35 15 o 124.010 34.542 3.5285  1.8813 5.1968  2.7464  2.0535  2.5824 148.814 41.835 107.933 40.977 40.88132       58.55987 
1 1 1 4   35 16 o 340.829 32.392 26.089  4.6192 26.089  4.6192  0.0000  0.0000 340.829 32.392 ?       ?      0.000000       32.39204 
1 1 1 4   35 17 o 100.436 38.963 1.6840  2.3695 1.6840  2.3695  0.0000  0.0000 100.436 38.963 ?       ?      0.000000       38.96273 
1 1 1 4   35 18 o 317.572 34.536 23.073  4.5699 0.0000  0.0000  23.073  4.5699 ?       ?      317.572 34.536 0.000000       34.53624 
1 1 1 4   35 19 o 386.573 33.829 34.323  5.4824 0.0000  0.0000  34.323  5.4824 ?       ?      386.573 33.829 0.000000       33.82920 
1 1 1 4   35 20 o 69.135  29.879 0.0061  1.6022 -0.2650 2.1795  0.3249  2.3634 77.307  34.096 85.325  36.576 -8.018166      50.00286 
1 1 1 4   35 21 f 178.231 29.625 7.3281  2.1575 3.8122  2.8014  12.454  3.3826 126.773 43.376 229.462 35.993 -102.6889      56.36501 
1 1 1 4   36 0  o 375.748 15.369 30.016  2.4456 23.376  3.7936  34.737  3.1991 329.056 27.475 403.835 18.706 -74.77899      33.23809 
1 1 1 4   36 1  o 175.450 30.745 6.8077  2.2012 6.9521  4.5606  6.7639  2.5133 176.519 55.046 173.891 35.334 2.627548       65.41044 
1 1 1 4   36 2  o 286.811 29.049 17.844  3.4797 0.0000  0.0000  17.844  3.4797 ?       ?      286.811 29.049 0.000000       29.04902 
1 1 1 4   36 3  o 466.149 20.211 46.341  3.9898 0.0000  0.0000  46.341  3.9898 ?       ?      466.149 20.211 0.000000       20.21076 
1 1 1 4   36 4  o 370.105 22.256 29.367  3.4721 0.0000  0.0000  29.367  3.4721 ?       ?      370.105 22.256 0.000000       22.25583 
1 1 1 4   36 5  o 203.191 23.895 8.9544  2.0169 5.0106  2.8072  13.162  2.8996 149.278 42.412 245.893 28.365 -96.61467      51.02309 
1 1 1 4   36 6  o 558.147 15.743 66.299  3.7213 62.237  5.7952  69.149  4.8542 538.604 25.407 569.104 20.141 -30.49994      32.42208 
1 1 1 4   36 7  o 628.324 16.434 84.100  4.3730 100.573 7.0245  73.676  5.5879 684.706 24.225 586.560 22.495 98.14575       33.05902 
1 1 1 4   36 8  o 265.436 20.950 15.171  2.3359 18.277  3.7564  13.212  2.9827 288.787 31.211 245.593 29.254 43.19405       42.77758 
1 1 1 4   36 9  o 208.476 24.343 9.4721  2.1087 14.319  3.1900  5.7101  2.8103 255.282 30.085 157.688 41.513 97.59380       51.26862 
1 1 1 4   36 10 o 282.584 20.576 17.210  2.4454 13.043  3.7726  20.230  3.2115 240.359 38.351 305.266 25.063 -64.90709      45.81462 
1 1 1 4   36 11 f 439.092 22.713 41.618  4.2090 42.718  5.4561  40.003  6.6148 442.099 29.308 423.735 37.240 18.36411       47.38959 
1 1 1 4   36 12 o 391.286 18.864 32.825  3.1259 30.380  4.8315  34.585  4.0994 371.392 31.003 399.305 24.359 -27.91290      39.42733 
1 1 1 4   36 13 o 96.271  36.087 1.6182  1.9884 4.0037  2.6530  -1.4392 3.0035 133.134 42.055 84.818  38.502 48.31657       57.01787 
1 1 1 4   36 14 o 192.288 27.994 8.2398  2.2127 10.885  3.1828  5.7654  3.0784 218.548 35.615 156.182 44.427 62.36601       56.94055 
1 1 1 4   36 15 o 256.788 35.710 15.071  3.7782 15.071  3.7782  0.0000  0.0000 256.788 35.710 ?       ?      0.000000       35.70951 
1 1 1 4   36 16 o 137.658 44.423 4.4591  2.9481 4.4591  2.9481  0.0000  0.0000 137.658 44.423 ?       ?      0.000000       44.42297 
1 1 1 4   36 17 o 156.303 43.539 5.9441  2.9890 0.0000  0.0000  5.9441  2.9890 ?       ?      156.303 43.539 0.000000       43.53938 
1 1 1 4   36 18 o 116.916 42.079 2.9638  2.6591 0.0000  0.0000  2.9638  2.6591 ?       ?      116.916 42.079 0.000000       42.07943 
1 1 1 4   36 19 o 237.565 25.154 12.638  2.4921 12.092  3.3298  13.333  3.7577 226.204 35.964 235.677 39.014 -9.473495      53.06128 
1 1 1 4   36 20 o 153.932 31.605 5.5719  1.9913 4.2592  2.7097  7.1132  2.9361 132.025 42.587 169.267 41.320 -37.24217      59.33823 
1 1 1 4   37 0  o 227.775 35.183 11.480  3.2845 0.0000  0.0000  11.480  3.2845 ?       ?      227.775 35.183 0.000000       35.18328 
1 1 1 4   37 1  o 398.407 17.001 33.792  2.8684 32.873  6.1864  34.043  3.2375 387.026 38.245 399.602 19.131 -12.57590      42.76272 
1 1 1 4   37 2  o 296.893 17.219 18.832  2.1556 18.046  3.2878  19.425  2.8549 288.668 27.216 300.596 22.592 -11.92789      35.37075 
1 1 1 4   37 3  o 133.298 29.709 3.9743  1.6342 3.4930  2.3612  4.4170  2.2642 126.727 39.622 140.058 37.449 -13.33155      54.51950 
1 1 1 4   37 4  o 612.997 15.705 79.975  4.0771 84.651  6.5799  77.062  5.1943 628.286 24.730 600.667 20.420 27.61890       32.07076 
1 1 1 4   37 5  o 382.272 17.797 31.162  2.8812 29.479  4.5548  32.284  3.7201 368.468 29.435 387.587 22.764 -19.11868      37.21035 
1 1 1 4   37 6  o 395.005 17.664 33.287  2.9548 32.803  4.5245  33.647  3.9017 389.097 27.638 395.356 23.408 -6.258820      36.21867 
1 1 1 4   37 7  o 626.457 16.298 83.680  4.3239 83.637  6.8726  83.708  5.5629 622.942 26.051 625.128 21.013 -2.185974      33.46961 
1 1 1 4   37 8  o 176.346 26.726 6.8611  1.9334 7.9557  3.0536  6.1288  2.4978 186.391 39.890 163.928 36.873 22.46289       54.32174 
1 1 1 4   37 9  o 438.771 17.736 41.165  3.2957 46.987  5.4041  37.718  4.1584 464.824 27.576 417.808 23.599 47.01694       36.29551 
1 1 1 4   37 10 o 520.586 17.158 57.956  3.7827 60.634  6.0445  56.232  4.8499 527.952 27.126 511.011 22.411 16.94183       35.18626 
1 1 1 4   37 11 o 105.034 38.997 2.0048  2.3111 -0.9638 2.7686  8.8283  4.1975 84.161  37.690 191.926 50.835 -107.7648      63.28325 
1 1 1 4   37 12 o 240.206 26.169 12.676  2.6189 16.794  3.5819  7.9450  3.8390 274.890 31.328 182.216 48.781 92.67383       57.97424 
1 1 1 4   37 13 o 237.269 26.692 12.423  2.6354 11.837  3.6101  13.092  3.8562 226.535 39.040 238.224 39.615 -11.68938      55.61868 
1 1 1 4   37 14 o 330.561 25.632 24.016  3.5601 27.203  4.2789  16.847  6.4176 350.114 29.123 256.053 60.197 94.06049       66.87167 
1 1 1 4   37 15 o 203.100 33.582 9.4832  2.7875 11.337  3.3625  5.4087  4.9845 220.556 37.331 153.636 57.225 66.91966       68.32510 
1 1 1 4   37 16 o 215.174 36.816 10.819  3.2342 0.0000  0.0000  10.819  3.2342 ?       ?      215.174 36.816 0.000000       36.81604 
1 1 1 4   37 17 o 300.561 37.631 21.116  4.6849 0.0000  0.0000  21.116  4.6849 ?       ?      300.561 37.631 0.000000       37.63108 
1 1 1 4   37 18 o 99.829  34.706 2.1625  1.7965 3.2568  2.2629  0.2970  2.9545 118.096 38.969 93.403  40.471 24.69310       56.18265 
1 1 1 4   37 19 o 136.535 33.436 4.4551  1.9179 3.0972  2.5522  6.2167  2.9068 116.603 41.303 157.323 42.588 -40.71972      59.32664 
1 1 1 4   37 20 o 97.634  33.722 2.0900  1.6947 0.2660  2.2378  4.5427  2.5950 82.561  35.496 135.606 41.396 -53.04507      54.53065 
1 1 1 4   38 0  o 143.820 28.597 4.6058  1.6804 5.0996  2.5388  4.2207  2.2417 150.028 39.439 136.952 37.536 13.07542       54.44561 
1 1 1 4   38 1  o 399.457 19.882 34.075  3.3633 34.478  4.7062  33.655  4.8083 399.224 28.014 394.101 29.014 5.122589       40.33097 
1 1 1 4   38 2  o 313.584 16.468 21.005  2.1793 17.949  3.2494  23.503  2.9380 287.615 26.993 330.869 21.078 -43.25430      34.24765 
1 1 1 4   38 3  o 337.845 17.646 24.409  2.5159 29.401  4.1495  21.508  3.1637 368.632 26.763 315.752 23.835 52.87991       35.83819 
1 1 1 4   38 4  o 216.341 23.928 10.168  2.1556 5.8364  3.4696  12.890  2.7509 160.063 47.645 243.092 27.187 -83.02965      54.85596 
1 1 1 4   38 5  o 260.845 20.685 14.658  2.2662 10.841  3.5445  17.298  2.9473 218.748 39.725 282.470 24.893 -63.72186      46.87962 
1 1 1 4   38 6  o 470.327 16.537 47.204  3.2939 49.589  5.3123  45.715  4.1984 478.559 26.313 461.626 21.476 16.93265       33.96468 
1 1 1 4   38 7  o 330.886 19.137 23.518  2.6702 26.116  4.1597  21.696  3.4824 345.790 28.664 315.767 26.280 30.02261       38.88814 
1 1 1 4   38 8  o 602.159 16.519 77.466  4.2125 78.016  6.7479  77.115  5.3922 600.085 26.553 599.052 21.255 1.033875       34.01208 
1 1 1 4   38 9  o 226.053 22.045 11.104  2.0836 6.3083  3.3748  14.057  2.6486 163.970 46.474 253.747 24.971 -89.77711      52.75744 
1 1 1 4   38 10 o 421.557 17.608 38.066  3.1435 40.429  5.0348  36.556  4.0242 429.966 27.799 410.761 23.229 19.20544       36.22686 
1 1 1 4   38 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   38 12 o 280.183 24.258 17.167  2.8499 18.767  3.8990  15.331  4.1760 289.612 32.342 258.095 39.460 31.51703       51.02069 
1 1 1 4   38 13 o 184.204 33.798 7.7924  2.5394 10.354  3.0586  2.1088  4.5557 212.340 35.249 126.664 52.310 85.67649       63.07784 
1 1 1 4   38 14 o 167.669 38.288 6.6659  2.6590 9.6873  3.2054  -0.0004 4.7612 202.769 38.741 114.169 50.372 88.60016       63.54665 
1 1 1 4   38 15 o 79.271  34.184 0.0617  2.0879 0.0000  0.0000  0.0617  2.0879 ?       ?      79.271  34.184 0.000000       34.18427 
1 1 1 4   38 16 o 112.775 41.945 2.5852  2.6760 0.0000  0.0000  2.5852  2.6760 ?       ?      112.775 41.945 0.000000       41.94453 
1 1 1 4   38 17 o 282.262 23.689 17.676  2.8054 15.985  3.5779  20.375  4.5203 262.941 32.848 293.981 37.136 -31.04028      49.57908 
1 1 1 4   38 18 o 438.259 21.280 42.175  3.9496 39.116  5.3374  45.876  5.8719 413.293 30.715 447.190 31.201 -33.89691      43.78241 
1 1 1 4   38 19 o 74.902  30.554 0.6489  1.5303 0.2594  1.9669  1.2462  2.4357 78.027  33.405 94.447  38.539 -16.41976      51.00156 
1 1 1 4   39 0  o 131.018 29.438 3.8553  1.5936 8.3357  2.3792  0.2099  2.1461 194.138 29.898 83.487  35.285 110.6517       46.24797 
1 1 1 4   39 1  o 536.952 16.511 61.478  3.7545 61.273  4.7181  61.832  6.1995 534.957 20.826 534.548 27.479 0.4093018      34.47882 
1 1 1 4   39 2  o 236.045 18.876 11.984  1.8711 14.898  3.0193  10.167  2.3840 261.211 27.718 215.543 26.688 45.66795       38.47786 
1 1 1 4   39 3  o 254.325 20.374 13.939  2.1759 13.322  3.7704  14.248  2.6644 243.525 37.784 256.059 24.885 -12.53380      45.24240 
1 1 1 4   39 4  o 237.820 21.591 12.235  2.1508 14.489  3.5888  10.971  2.6868 255.276 34.045 223.130 29.129 32.14540       44.80577 
1 1 1 4   39 5  o 393.181 16.937 33.025  2.8201 32.906  4.5557  33.098  3.5907 388.643 27.865 391.935 21.718 -3.291840      35.32888 
1 1 1 4   39 6  o 677.042 16.263 97.905  4.6628 103.482 7.4997  94.390  5.9533 691.668 25.604 662.779 21.210 28.88861       33.24791 
1 1 1 4   39 7  o 398.383 17.577 33.968  2.9654 31.380  4.5481  35.882  3.9111 378.624 28.575 407.386 22.761 -28.76129      36.53201 
1 1 1 4   39 8  o 218.426 24.093 10.435  2.1916 14.309  3.2796  7.3095  2.9459 253.749 31.175 177.396 40.149 76.35262       50.83136 
1 1 1 4   39 9  o 103.424 34.415 2.2776  1.7635 2.9127  2.7975  1.8587  2.2717 120.141 43.169 102.581 38.548 17.55923       57.87511 
1 1 1 4   39 10 o 464.341 20.264 46.430  3.9849 46.680  5.4303  46.138  5.8659 461.384 27.923 457.202 30.470 4.181549       41.32959 
1 1 1 4   39 11 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 4   39 12 f 172.665 35.839 6.9354  2.5348 5.1300  2.9663  11.822  4.8804 146.858 44.132 217.211 53.425 -70.35229      69.29497 
1 1 1 4   39 13 o 305.401 25.492 20.615  3.2668 20.446  4.0917  20.912  5.4255 300.159 32.719 295.457 44.764 4.702393       55.44641 
1 1 1 4   39 14 o 111.103 39.989 2.5983  2.4014 0.0000  0.0000  2.5983  2.4014 ?       ?      111.103 39.989 0.000000       39.98867 
1 1 1 4   39 15 o 68.422  29.396 0.0445  1.5327 0.0000  0.0000  0.0445  1.5327 ?       ?      68.422  29.396 0.000000       29.39577 
1 1 1 4   39 16 o 122.374 35.206 3.5596  1.9226 2.8412  2.6367  4.3751  2.8092 114.648 41.807 134.217 43.369 -19.56858      60.23877 
1 1 1 4   39 17 o 175.171 28.145 7.0576  2.0172 7.9675  2.7587  6.0120  2.9572 181.435 37.154 154.125 43.440 27.31026       57.16181 
1 1 1 4   39 18 f 175.914 27.640 7.1164  1.9912 9.6843  2.8080  4.5191  2.8240 202.020 34.031 134.517 43.485 67.50348       55.21857 
1 1 1 4   40 0  o 233.974 18.271 11.776  1.7960 9.0145  2.6786  14.032  2.4208 200.832 32.613 254.512 22.698 -53.68027      39.73416 
1 1 1 4   40 1  o 331.857 24.689 23.877  3.4450 23.877  3.4450  0.0000  0.0000 331.857 24.689 ?       ?      0.000000       24.68948 
1 1 1 4   40 2  o 239.210 19.660 12.343  1.9740 13.150  3.0081  11.734  2.6160 244.186 29.700 231.232 27.237 12.95403       40.29826 
1 1 1 4   40 3  o 314.707 18.356 21.271  2.4358 20.770  4.1825  21.528  2.9963 306.329 32.748 315.481 22.576 -9.151855      39.77611 
1 1 1 4   40 4  o 279.566 19.692 16.847  2.3165 17.698  3.8032  16.345  2.9208 282.469 32.378 273.723 25.490 8.745941       41.20757 
1 1 1 4   40 5  o 507.367 16.075 55.010  3.4540 54.182  5.5173  55.543  4.4294 499.150 26.192 508.342 20.575 -9.192017      33.30721 
1 1 1 4   40 6  o 289.969 20.121 18.156  2.4555 20.163  3.8155  16.737  3.2083 302.108 30.228 275.899 27.839 26.20895       41.09442 
1 1 1 4   40 7  o 111.670 35.853 2.7376  1.9222 6.1205  3.2265  0.8763  2.3932 161.085 45.366 93.264  38.146 67.82156       59.27195 
1 1 1 4   40 8  o 176.194 27.817 6.9298  2.0067 7.6427  2.8807  6.2577  2.7971 181.472 38.667 163.417 40.598 18.05505       56.06555 
1 1 1 4   40 9  o 304.629 22.780 20.195  2.9175 23.494  4.0335  16.576  4.2251 325.804 29.556 269.308 38.110 56.49655       48.22755 
1 1 1 4   40 10 o 319.467 31.136 22.777  4.1589 22.777  4.1589  0.0000  0.0000 319.467 31.136 ?       ?      0.000000       31.13587 
1 1 1 4   40 11 o 136.753 51.314 3.9053  4.0224 0.0000  0.0000  3.9053  4.0224 ?       ?      136.753 51.314 0.000000       51.31370 
1 1 1 4   40 12 o 222.537 23.789 10.947  2.2072 6.8745  3.4341  13.815  2.8812 166.752 46.746 248.430 27.866 -81.67743      54.42178 
1 1 1 4   40 13 o 189.005 36.890 8.4401  2.8468 0.0000  0.0000  8.4401  2.8468 ?       ?      189.005 36.890 0.000000       36.89012 
1 1 1 4   40 14 o 148.419 41.028 5.3665  2.6650 0.0000  0.0000  5.3665  2.6650 ?       ?      148.419 41.028 0.000000       41.02834 
1 1 1 4   40 15 o 72.592  30.675 0.2862  1.6215 -0.0002 2.6866  0.4504  2.0337 87.500  38.243 81.481  34.388 6.018692       51.43024 
1 1 1 4   40 16 o 98.787  33.139 2.1923  1.6347 2.8528  2.1021  1.1818  2.6002 111.125 37.577 95.810  39.540 15.31549       54.54743 
1 1 1 4   40 17 o 295.152 21.695 19.304  2.6927 16.695  3.7948  21.950  3.8216 265.597 34.556 309.156 29.549 -43.55856      45.46749 
1 1 1 4   40 18 o 113.609 34.685 3.0858  1.8217 0.2580  2.3558  7.2917  2.8731 83.825  36.230 170.712 40.375 -86.88663      54.24665 
1 1 1 4   41 0  o 196.457 20.589 8.3800  1.6875 10.888  2.5282  6.3646  2.2663 222.305 27.436 167.522 33.119 54.78253       43.00693 
1 1 1 4   41 1  o 330.887 21.004 23.638  2.9280 22.272  4.0383  25.151  4.2517 317.831 30.372 338.058 30.010 -20.22769      42.69764 
1 1 1 4   41 2  o 139.500 29.778 4.4044  1.7057 2.6985  2.6802  5.5655  2.2113 116.928 42.224 155.977 34.401 -39.04877      54.46347 
1 1 1 4   41 3  o 186.249 27.307 7.6956  2.0899 10.842  3.6687  6.1842  2.5428 216.324 41.557 163.625 37.498 52.69887       55.97419 
1 1 1 4   41 4  o 107.082 36.198 2.4222  1.9506 4.1520  3.4949  1.6395  2.3509 138.561 48.394 100.925 38.905 37.63543       62.09328 
1 1 1 4   41 5  o 182.851 26.205 7.4090  1.9712 11.889  3.1603  4.5564  2.5219 229.769 33.461 140.236 40.315 89.53253       52.39249 
1 1 1 4   41 6  o 116.906 35.405 3.0852  1.9037 4.9065  2.9130  1.7275  2.5151 145.141 43.760 103.657 40.161 41.48373       59.39580 
1 1 1 4   41 7  f 273.055 21.741 16.207  2.4933 17.013  3.9936  15.691  3.1917 274.309 35.190 266.096 28.781 8.212402       45.46057 
1 1 1 4   41 8  o 314.981 23.179 21.633  3.0702 21.529  3.9999  21.782  4.7900 310.848 30.790 309.196 37.337 1.652466       48.39465 
1 1 1 4   41 9  o 86.884  35.754 0.7237  2.1186 2.2084  2.5367  -2.7003 3.8523 108.640 40.753 89.873  41.803 18.76620       58.38017 
1 1 1 4   41 10 o 213.217 29.999 10.270  2.6338 12.271  3.2560  6.4837  4.4798 231.314 34.276 162.362 54.856 68.95131       64.68385 
1 1 1 4   41 11 o 144.562 38.895 5.0057  2.4334 0.0000  0.0000  5.0057  2.4334 ?       ?      144.562 38.895 0.000000       38.89478 
1 1 1 4   41 12 o 474.373 23.175 49.345  4.6558 0.0000  0.0000  49.345  4.6558 ?       ?      474.373 23.175 0.000000       23.17547 
1 1 1 4   41 13 o 261.084 21.846 15.002  2.3932 14.574  3.5961  15.341  3.2063 250.276 34.877 260.029 29.646 -9.753342      45.77456 
1 1 1 4   41 14 o 102.967 35.295 2.3457  1.8548 0.4383  2.7422  3.9541  2.5182 91.691  39.354 128.244 41.022 -36.55309      56.84625 
1 1 1 4   41 15 o 86.376  32.775 1.3723  1.6515 2.0584  2.4583  0.8080  2.2295 103.308 39.795 87.415  36.387 15.89251       53.92281 
1 1 1 4   41 16 o 214.148 24.076 10.326  2.1456 7.1405  2.9468  13.921  3.1300 167.955 41.638 244.610 30.905 -76.65479      51.85402 
1 1 1 4   41 17 o 178.641 26.632 7.3234  1.9532 7.3968  2.6854  7.2408  2.8461 173.310 37.664 169.842 40.196 3.468079       55.08429 
1 1 1 4   42 0  f 141.460 27.632 4.5059  1.5960 5.1101  2.5090  4.0952  2.0684 148.132 39.335 133.328 35.855 14.80394       53.22374 
1 1 1 4   42 1  o 109.707 35.359 2.6386  1.8682 3.3373  2.5728  1.8593  2.7173 123.674 41.573 107.467 41.715 16.20750       58.89302 
1 1 1 4   42 2  o 574.100 14.105 70.366  3.4292 71.848  5.1102  69.152  4.6252 577.293 20.903 567.120 19.258 10.17322       28.42157 
1 1 1 4   42 3  o 229.013 22.213 11.437  2.1273 7.9371  3.5829  13.342  2.6437 182.113 46.342 246.363 25.718 -64.25038      53.00024 
1 1 1 4   42 4  o 74.498  32.040 -0.0078 1.8244 0.2923  3.1833  -0.1545 2.2263 99.049  42.453 80.608  35.029 18.44042       55.03875 
1 1 1 4   42 5  o 277.908 19.946 16.726  2.3318 18.062  3.6667  15.818  3.0215 284.582 30.922 267.753 27.016 16.82904       41.06167 
1 1 1 4   42 6  o 283.704 32.916 18.101  3.8813 18.101  3.8813  0.0000  0.0000 283.704 32.916 ?       ?      0.000000       32.91621 
1 1 1 4   42 7  o 114.038 43.224 2.4101  2.8705 2.4101  2.8705  0.0000  0.0000 114.038 43.224 ?       ?      0.000000       43.22412 
1 1 1 4   42 8  o 176.223 35.376 7.2209  2.5483 8.6562  3.2094  4.7722  4.1920 190.824 40.941 145.577 52.770 45.24742       66.78941 
1 1 1 4   42 9  o 67.009  29.683 -0.4027 1.6696 2.5756  2.3280  -3.5571 2.3958 110.563 39.417 61.835  29.915 48.72818       49.48347 
1 1 1 4   42 10 o 169.170 37.707 6.8302  2.6324 0.0000  0.0000  6.8302  2.6324 ?       ?      169.170 37.707 0.000000       37.70677 
1 1 1 4   42 11 o 285.410 26.362 18.202  3.1503 0.0000  0.0000  18.202  3.1503 ?       ?      285.410 26.362 0.000000       26.36161 
1 1 1 4   42 12 o 78.391  32.131 0.6569  1.7025 0.0001  2.6351  1.1275  2.2305 86.896  37.929 91.486  37.048 -4.590813      53.02041 
1 1 1 4   42 13 o 67.736  29.720 -0.1962 1.6365 -0.6138 2.4224  0.1545  2.2197 78.594  35.222 81.507  35.198 -2.913162      49.79399 
1 1 1 4   42 14 o 118.197 35.216 3.3551  1.8948 -0.0000 2.7504  6.3861  2.6141 87.574  38.474 160.729 38.838 -73.15456      54.66848 
1 1 1 4   42 15 o 127.447 40.979 4.0333  2.5105 2.0525  2.9832  8.8399  4.6471 106.983 43.012 176.209 55.659 -69.22545      70.34197 
1 1 1 4   42 16 o 209.566 24.055 9.9187  2.0962 9.9807  2.8612  9.8468  3.0798 204.009 34.336 200.290 37.693 3.719482       50.98779 
1 1 1 4   43 0  o 135.920 27.745 4.1831  1.5430 7.9436  2.2982  1.0967  2.0821 187.883 29.885 90.683  36.113 97.19956       46.87452 
1 1 1 4   43 1  o 320.234 16.989 22.061  2.2957 24.623  3.7151  20.478  2.9199 334.753 26.421 306.626 22.646 28.12631       34.79809 
1 1 1 4   43 2  o 58.360  26.843 -1.0535 1.5243 -0.2170 2.4860  -1.5573 1.9295 84.380  36.836 63.792  29.642 20.58783       47.28148 
1 1 1 4   43 3  o 99.958  34.593 2.0743  1.7838 0.8738  3.1355  2.6488  2.1690 102.675 42.980 111.322 38.167 -8.646744      57.48037 
1 1 1 4   43 4  o 265.314 24.604 15.463  2.7330 20.922  3.9361  10.382  3.7976 306.019 30.790 208.431 44.384 97.58748       54.01805 
1 1 1 4   43 5  o 212.653 43.611 10.794  3.7956 10.794  3.7956  0.0000  0.0000 212.653 43.611 ?       ?      0.000000       43.61089 
1 1 1 4   43 6  o 266.531 34.245 16.197  3.7759 16.197  3.7759  0.0000  0.0000 266.531 34.245 ?       ?      0.000000       34.24502 
1 1 1 4   43 7  o 80.046  32.971 0.6053  1.8038 -0.4873 2.7900  1.3900  2.3644 86.429  38.324 96.889  38.515 -10.45995      54.33394 
1 1 1 4   43 8  o 212.684 34.222 10.487  2.9778 0.0000  0.0000  10.487  2.9778 ?       ?      212.684 34.222 0.000000       34.22213 
1 1 1 4   43 9  o 59.041  28.491 -3.0329 2.1390 0.0000  0.0000  -3.0329 2.1390 ?       ?      59.041  28.491 0.000000       28.49059 
1 1 1 4   43 10 o 118.808 40.783 3.2326  2.4769 2.8655  3.0665  3.9216  4.2012 117.941 44.682 134.490 51.962 -16.54901      68.53141 
1 1 1 4   43 11 o 98.896  35.310 2.0606  1.8688 -0.3795 2.7990  4.0233  2.5103 86.269  38.313 129.211 40.918 -42.94257      56.05467 
1 1 1 4   43 12 o 173.331 28.164 6.9020  1.9964 8.2519  3.0974  5.9426  2.6111 182.661 41.042 155.244 39.592 27.41679       57.02657 
1 1 1 4   43 13 o 322.945 19.860 22.934  2.7029 20.031  4.1714  25.035  3.5487 291.176 34.499 333.692 25.300 -42.51624      42.78209 
1 1 1 4   43 14 o 82.982  33.144 1.0521  1.7587 -1.0665 2.6240  2.7799  2.3697 77.730  35.555 110.335 39.722 -32.60473      53.31030 
1 1 1 4   43 15 o 300.658 21.295 20.086  2.6939 22.738  4.0184  17.921  3.6305 312.272 30.787 276.321 31.593 35.95096       44.11285 
1 1 1 4   44 0  o 161.063 30.256 5.9109  1.9879 3.8167  2.4998  9.5138  3.2788 128.763 40.838 201.119 39.905 -72.35614      57.09830 
1 1 1 4   44 1  o 322.961 20.631 22.655  2.8070 22.278  3.7618  23.128  4.2163 316.774 28.341 321.145 31.404 -4.370392      42.30133 
1 1 1 4   44 2  o 132.326 33.331 4.0691  1.8669 1.9380  2.3317  7.8747  3.1159 103.169 38.992 181.701 41.415 -78.53234      56.88206 
1 1 1 4   44 3  o 180.826 43.939 7.9144  3.3317 7.9144  3.3317  0.0000  0.0000 180.826 43.939 ?       ?      0.000000       43.93890 
1 1 1 4   44 4  o 102.027 38.564 1.9121  2.2810 2.2948  3.1898  1.5115  3.2631 114.982 45.038 108.614 44.496 6.368080       63.31165 
1 1 1 4   44 5  o 245.525 27.366 13.479  2.7971 0.0000  0.0000  13.479  2.7971 ?       ?      245.525 27.366 0.000000       27.36636 
1 1 1 4   44 6  o 209.940 32.696 10.157  2.8123 0.0000  0.0000  10.157  2.8123 ?       ?      209.940 32.696 0.000000       32.69630 
1 1 1 4   44 7  o 144.076 40.789 5.0576  2.6012 0.0000  0.0000  5.0576  2.6012 ?       ?      144.076 40.789 0.000000       40.78860 
1 1 1 4   44 8  o 160.128 31.232 5.9772  2.0418 3.0576  3.2083  7.9647  2.6471 120.696 45.709 183.338 35.375 -62.64153      57.79902 
1 1 1 4   44 9  o 134.685 34.581 4.3365  1.9826 -0.3515 2.9705  8.1024  2.6624 88.865  39.468 184.774 35.312 -95.90923      52.95844 
1 1 1 4   44 10 o 125.793 39.973 3.8092  2.3941 2.1713  2.9936  6.7156  3.9877 109.723 43.426 160.018 51.668 -50.29468      67.49319 
1 1 1 4   44 11 o 244.162 22.105 13.232  2.2609 8.2057  3.3871  17.270  3.0363 179.258 44.755 276.720 26.223 -97.46268      51.87187 
1 1 1 4   44 12 o 277.151 20.698 16.991  2.4118 17.195  3.7918  16.853  3.1256 269.501 33.979 271.640 27.552 -2.138794      43.74527 
1 1 1 4   44 13 o 167.785 29.907 6.6335  2.0471 7.3699  3.0891  6.0568  2.7335 168.591 43.101 153.775 41.161 14.81601       59.59770 
1 1 1 4   44 14 o 188.373 27.146 8.2054  2.1031 5.9621  3.1702  9.9685  2.8105 149.656 45.767 203.574 33.785 -53.91800      56.88636 
1 1 1 4   44 15 o 198.854 30.457 9.3144  2.4832 17.981  3.6629  1.9438  3.3779 276.083 31.917 108.290 44.908 167.7932       55.09487 
1 1 1 4   45 0  o 289.575 16.859 18.112  2.0585 21.099  3.0095  15.486  2.8219 310.032 23.087 264.305 25.529 45.72766       34.42002 
1 1 1 4   45 1  o 170.056 27.255 6.5336  1.8965 6.7030  2.5171  6.3111  2.8845 168.597 36.325 161.361 41.855 7.236389       55.41988 
1 1 1 4   45 2  o 203.023 34.257 9.5617  2.8405 15.372  4.9796  6.7589  3.4584 248.641 49.034 164.785 47.164 83.85622       68.03502 
1 1 1 4   45 3  o 201.770 35.139 9.5130  2.8934 1.1933  5.5126  12.677  3.3993 126.176 54.974 233.321 35.525 -107.1449      65.45296 
1 1 1 4   45 4  o 127.354 39.051 3.8582  2.3062 0.0000  0.0000  3.8582  2.3062 ?       ?      127.354 39.051 0.000000       39.05069 
1 1 1 4   45 5  o 295.158 24.447 19.349  3.0283 0.0000  0.0000  19.349  3.0283 ?       ?      295.158 24.447 0.000000       24.44731 
1 1 1 4   45 6  o 218.316 23.390 10.610  2.1289 12.085  3.6744  9.8648  2.6120 223.326 40.335 206.865 30.751 16.46187       50.72030 
1 1 1 4   45 7  o 160.758 30.432 6.0183  1.9959 2.6388  3.1482  8.2897  2.5809 115.589 44.891 187.597 33.726 -72.00846      56.14835 
1 1 1 4   45 8  o 225.950 24.068 11.415  2.2675 9.4459  3.4493  12.914  3.0091 194.536 43.011 236.717 30.743 -42.18149      52.86854 
1 1 1 4   45 9  o 72.876  32.018 -0.1795 1.9050 -3.0165 3.0504  1.6345  2.4392 74.515  35.432 98.591  39.142 -24.07597      52.79689 
1 1 1 4   45 10 o 109.811 40.920 2.6004  2.5494 3.4706  3.2766  1.2655  4.0582 123.236 46.299 110.660 47.690 12.57658       66.46728 
1 1 1 4   45 11 o 139.656 35.076 4.7835  2.0716 6.4072  2.8644  3.0029  2.9998 157.949 42.070 116.115 44.145 41.83462       60.98032 
1 1 1 4   45 12 o 119.031 34.470 3.4721  1.8376 3.3893  2.8362  3.5321  2.4124 118.880 43.358 119.626 40.255 -0.7458496     59.16404 
1 1 1 4   45 13 o 266.711 20.844 15.842  2.3356 14.603  3.6837  16.674  3.0204 244.044 36.785 269.442 26.827 -25.39761      45.52832 
1 1 1 4   45 14 o 213.470 28.904 10.642  2.5458 9.8017  3.4393  11.660  3.7863 194.331 42.935 211.846 43.656 -17.51549      61.23137 
1 1 1 4   46 0  o 103.396 39.150 2.0612  2.3533 -1.0544 4.8280  3.0322  2.6952 107.250 48.735 117.451 42.353 -10.20147      64.56710 
1 1 1 4   46 1  o 122.844 40.248 3.5575  2.4154 3.3651  4.8721  3.6201  2.7813 133.621 54.513 124.787 43.195 8.834068       69.55219 
1 1 1 4   46 2  o 117.131 43.643 2.9221  2.8997 0.0000  0.0000  2.9221  2.8997 ?       ?      117.131 43.643 0.000000       43.64281 
1 1 1 4   46 3  o 137.951 31.256 4.4794  1.7837 3.1325  3.2612  5.0544  2.1307 121.322 46.051 145.183 35.052 -23.86098      57.87347 
1 1 1 4   46 4  o 258.964 20.326 14.744  2.2113 18.975  3.8407  12.647  2.7045 286.478 32.216 236.091 27.569 50.38663       42.40176 
1 1 1 4   46 5  o 123.902 35.329 3.6878  1.9443 6.4803  3.3898  2.3187  2.3735 158.529 47.073 105.919 39.481 52.61040       61.43806 
1 1 1 4   46 6  o 181.912 27.748 7.5847  2.0700 6.0769  3.5867  8.3378  2.5347 152.971 48.960 188.101 33.024 -35.13033      59.05615 
1 1 1 4   46 7  o 94.146  34.893 1.7774  1.8487 -0.1676 2.8474  3.1947  2.4306 87.804  38.836 116.957 40.386 -29.15305      56.02882 
1 1 1 4   46 8  o 79.524  32.782 0.7016  1.7849 -0.8590 2.7994  1.7707  2.3170 82.129  37.239 98.408  38.430 -16.27809      53.51281 
1 1 1 4   46 9  o 148.705 33.521 5.3487  2.0605 3.7641  3.1703  6.5075  2.7112 125.061 45.806 160.611 40.009 -35.55083      60.81870 
1 1 1 4   46 10 o 321.033 39.210 25.458  5.2200 0.0000  0.0000  25.458  5.2200 ?       ?      321.033 39.210 0.000000       39.21006 
1 1 1 4   46 11 o 85.522  32.969 1.3598  1.6883 5.3285  3.0202  -0.4440 2.0362 141.555 44.888 71.965  32.269 69.59089       55.28273 
1 1 1 4   46 12 o 131.985 33.065 4.2793  1.8443 2.5480  2.7197  5.7531  2.5093 108.302 41.818 149.827 39.124 -41.52442      57.26682 
1 1 1 4   46 13 o 73.691  32.054 0.0979  1.8679 -0.8288 2.6191  1.0572  2.6648 78.422  35.736 93.358  39.380 -14.93616      53.17731 
1 1 1 4   47 0  o 123.897 31.166 3.6403  1.6338 2.0391  2.6046  4.6789  2.0978 104.473 40.760 138.968 35.512 -34.49444      54.06025 
1 1 1 4   47 1  o 280.056 18.194 17.134  2.1462 14.566  3.4883  18.698  2.7224 248.884 33.984 290.412 22.306 -41.52823      40.65038 
1 1 1 4   47 2  o 257.539 23.031 14.773  2.4853 12.172  3.3231  18.075  3.7441 225.850 35.949 278.758 32.315 -52.90796      48.33803 
1 1 1 4   47 3  o 91.025  31.062 1.8127  1.4366 -0.5660 2.2809  3.3768  1.8495 76.186  34.158 118.650 34.646 -42.46438      48.65294 
1 1 1 4   47 4  o 145.675 30.117 4.9903  1.7966 6.8031  3.2464  4.1900  2.1571 162.249 45.439 130.865 37.177 31.38400       58.70992 
1 1 1 4   47 5  o 114.638 35.133 3.1434  1.8670 5.3090  3.1843  2.0091  2.3047 143.736 46.145 101.072 38.629 42.66415       60.17981 
1 1 1 4   47 6  o 201.234 25.411 9.1952  2.1173 16.263  3.5778  5.3861  2.6266 263.061 32.830 146.050 40.861 117.0117       52.41621 
1 1 1 4   47 7  o 163.590 31.352 6.3591  2.0930 8.5252  3.4165  5.0579  2.6480 180.724 44.851 140.792 41.554 39.93170       61.14259 
1 1 1 4   47 8  o 58.488  27.578 -1.6379 1.7759 -3.4869 2.8254  -0.4304 2.2833 67.994  32.794 76.402  34.221 -8.408264      47.39756 
1 1 1 4   47 9  o 100.889 36.107 2.3106  1.9552 1.8123  2.9001  2.7258  2.6473 102.505 41.966 109.942 41.548 -7.437752      59.05431 
1 1 1 4   47 10 o 105.095 40.721 2.3531  2.5857 0.0000  0.0000  2.3531  2.5857 ?       ?      105.095 40.721 0.000000       40.72050 
1 1 1 4   47 11 f 96.476  35.224 2.0580  1.8725 3.2781  3.0195  1.2956  2.3870 117.000 44.335 92.217  37.950 24.78281       58.35937 
1 1 1 4   47 12 o 193.208 28.929 8.7956  2.2942 8.7109  3.0335  8.9087  3.5067 184.130 40.043 181.356 45.682 2.773972       60.74750 
1 1 1 4   48 0  o 99.363  33.530 2.2410  1.6737 6.3079  2.8128  0.0116  2.0826 157.694 41.540 77.314  33.734 80.38000       53.51257 
1 1 1 4   48 1  o 54.985  25.298 -0.8564 1.3554 -1.0885 1.9937  -0.6569 1.8481 66.929  30.753 67.397  30.435 -0.4676819     43.26684 
1 1 1 4   48 2  o 146.901 33.572 5.2094  2.0429 4.8493  2.7791  5.6328  3.0134 138.111 42.954 147.593 44.510 -9.482178      61.85592 
1 1 1 4   48 3  o 138.801 27.407 4.4920  1.5539 5.3667  2.2884  3.7437  2.1166 147.420 36.777 123.475 37.318 23.94550       52.39407 
1 1 1 4   48 4  f 108.178 33.192 2.7920  1.6658 3.1505  3.2103  2.6599  1.9487 118.716 45.540 106.732 36.179 11.98359       58.16182 
1 1 1 4   48 5  o 173.481 27.091 6.9698  1.9252 8.1959  3.3193  6.3482  2.3634 176.766 44.400 160.614 35.675 16.15157       56.95621 
1 1 1 4   48 6  o 259.662 21.701 15.082  2.3644 16.968  4.0492  14.106  2.9126 262.617 37.471 246.488 28.423 16.12938       47.03151 
1 1 1 4   48 7  o 165.426 30.647 6.5486  2.0679 6.4283  3.3634  6.6218  2.6221 152.885 47.206 160.988 38.895 -8.102554      61.16590 
1 1 1 4   48 8  o 262.854 22.260 15.568  2.4546 15.587  3.7917  15.555  3.2206 250.755 36.801 256.457 30.235 -5.701950      47.62807 
1 1 1 4   48 9  o 212.338 31.538 10.825  2.7498 8.8861  3.5456  13.753  4.3559 179.843 46.283 224.412 47.324 -44.56886      66.19434 
1 1 1 4   48 10 o 268.185 30.874 17.118  3.4424 0.0000  0.0000  17.118  3.4424 ?       ?      268.185 30.874 0.000000       30.87362 
1 1 1 4   49 0  o 81.460  32.352 1.0537  1.6669 -0.6558 2.8117  1.9801  2.0698 82.780  37.446 97.706  36.780 -14.92582      52.48839 
1 1 1 4   49 1  o 91.057  31.416 1.8470  1.4706 1.2220  2.1768  2.3719  1.9947 89.828  36.519 102.333 36.486 -12.50549      51.62209 
1 1 1 4   49 2  o 143.893 33.190 5.0557  1.9812 1.6531  2.6636  9.2696  2.9642 99.137  40.360 193.020 37.615 -93.88257      55.17073 
1 1 1 4   49 3  o 122.102 28.892 3.5654  1.4707 2.0558  2.2071  4.7708  1.9723 99.270  37.836 139.167 33.801 -39.89690      50.73524 
1 1 1 4   49 4  o 194.092 23.855 8.5940  1.9195 7.8030  3.1768  9.0489  2.4091 171.173 43.680 195.309 30.092 -24.13661      53.04230 
1 1 1 4   49 5  o 221.941 28.105 11.527  2.5824 0.0000  0.0000  11.527  2.5824 ?       ?      221.941 28.105 0.000000       28.10454 
1 1 1 4   49 6  o 163.607 28.469 6.3529  1.9008 9.2970  3.3328  4.9336  2.3141 186.943 42.995 138.180 38.246 48.76285       57.54377 
1 1 1 4   49 7  o 98.804  34.893 2.2767  1.8202 -1.7729 3.2042  4.2060  2.2116 80.375  37.628 127.664 38.049 -47.28909      53.51200 
1 1 1 4   49 8  o 114.154 35.530 3.2717  1.9010 6.8472  3.1928  1.3080  2.3662 157.136 45.417 91.445  37.726 65.69057       59.04241 
1 1 1 4   49 9  o 199.710 31.490 9.6356  2.5750 12.147  3.4480  6.4692  3.8720 218.182 38.736 148.594 50.993 69.58794       64.03667 
1 1 1 4   50 0  o 88.826  39.460 0.1203  2.9711 0.1203  2.9711  0.0000  0.0000 88.826  39.460 ?       ?      0.000000       39.45973 
1 1 1 4   50 1  o 131.932 30.299 4.2309  1.6571 5.4889  2.5051  3.2521  2.2097 144.854 39.670 113.980 38.527 30.87385       55.29949 
1 1 1 4   50 2  o 114.001 32.377 3.2128  1.6363 3.9085  2.6788  2.7988  2.0666 122.565 42.394 107.223 37.227 15.34196       56.41866 
1 1 1 4   50 3  o 102.607 32.880 2.5617  1.6172 3.8479  2.4961  1.6313  2.1230 121.640 40.948 92.431  36.574 29.20868       54.90371 
1 1 1 4   50 4  o 63.092  28.455 -0.4768 1.6095 -0.8672 2.4544  -0.1823 2.1319 74.807  34.280 74.796  33.315 0.1174164E-01  47.80145 
1 1 1 4   50 5  o 122.114 33.152 3.7368  1.7585 5.4358  3.2881  3.0563  2.0811 138.815 46.996 110.478 37.388 28.33726       60.05401 
1 1 1 4   50 6  o 178.040 28.232 7.5354  2.0576 12.729  3.6029  5.0218  2.5065 221.549 39.867 137.228 40.408 84.32097       56.76461 
1 1 1 4   50 7  o 148.776 32.386 5.4807  1.9826 2.7175  3.3882  6.9194  2.4448 111.550 45.479 165.004 35.999 -53.45424      58.00236 
1 1 1 4   51 0  o 97.836  40.840 1.6286  2.8199 1.6286  2.8199  0.0000  0.0000 97.836  40.840 ?       ?      0.000000       40.84024 
1 1 1 4   51 1  o 148.083 27.656 5.2462  1.6706 6.3306  2.4957  4.3658  2.2487 155.470 38.183 128.753 38.364 26.71637       54.12759 
1 1 1 4   51 2  o 172.603 35.148 7.5398  2.4819 3.4900  3.3183  12.682  3.7392 117.479 45.959 218.058 42.015 -100.5787      62.26967 
1 1 1 4   51 3  o 130.323 33.395 4.2927  1.8515 2.4887  2.4194  6.8421  2.8761 103.626 39.586 158.319 42.150 -54.69230      57.82410 
1 1 1 4   51 4  o 116.615 33.571 3.4386  1.7476 2.4820  2.6523  4.1726  2.3232 104.764 41.060 125.474 39.314 -20.71041      56.84653 
1 1 1 4   51 5  o 84.613  32.879 1.3896  1.6895 1.7937  3.0221  1.2059  2.0377 100.755 42.188 86.162  35.215 14.59349       54.95341 
1 1 1 4   52 0  o 174.772 34.057 7.7105  2.4301 7.6837  3.1533  7.7498  3.8135 165.083 44.217 158.941 50.444 6.142853       67.08002 
1 1 1 4   52 1  o 99.357  33.626 2.4193  1.6833 2.9215  2.8182  2.1408  2.0989 109.412 42.479 97.170  36.930 12.24258       56.28700 
1 1 1 4   52 2  o 163.166 35.257 6.8145  2.3651 7.8936  3.0078  5.0663  3.8283 169.755 42.056 131.540 49.903 38.21471       65.26094 
1 1 1 4   52 3  o 75.417  32.005 0.5462  1.7772 2.4119  2.1607  -3.3559 3.1248 101.002 37.666 71.177  34.369 29.82527       50.98954 
1 1 1 5   0  0  o 931.986 23.379 184.836 9.2144 177.961 13.032  191.710 13.031 911.952 33.849 947.016 32.578 0.000000       0.000000 
1 1 1 5   0  1  o 1033.61 24.014 227.350 10.499 226.592 14.847  228.108 14.848 1029.27 34.146 1032.75 34.032 0.000000       0.000000 
1 1 1 5   0  2  o 301.370 21.979 19.593  2.7709 19.787  3.9460  19.405  3.8918 299.787 32.000 296.824 31.891 0.000000       0.000000 
1 1 1 5   0  3  o 785.711 22.838 131.506 7.5845 140.302 10.716  122.675 10.737 809.540 31.363 756.072 33.684 0.000000       0.000000 
1 1 1 5   0  4  o 694.967 32.189 103.698 9.4274 0.0000  0.0000  103.698 9.4274 694.967 32.189 694.967 32.189 0.000000       0.000000 
1 1 1 5   0  5  o 652.473 22.490 90.839  6.1977 85.334  8.7204  96.457  8.8099 629.501 32.917 670.118 31.198 0.000000       0.000000 
1 1 1 5   0  6  o 874.247 23.500 162.941 8.6864 155.971 12.240  170.014 12.330 852.100 34.042 890.245 32.805 0.000000       0.000000 
1 1 1 5   0  7  o 200.339 25.194 8.9340  2.0457 10.010  2.9153  7.8906  2.8714 207.568 36.550 177.868 44.040 0.000000       0.000000 
1 1 1 5   0  8  o 608.504 22.590 79.014  5.8032 71.196  8.1417  87.089  8.2738 574.607 33.724 636.943 30.838 0.000000       0.000000 
1 1 1 5   0  9  o 237.931 24.389 12.401  2.3983 14.621  3.3982  10.197  3.3854 255.937 32.834 205.811 44.254 0.000000       0.000000 
1 1 1 5   0  10 o 656.939 22.812 91.932  6.3290 89.095  8.9072  94.825  8.9946 644.586 32.824 665.320 32.094 0.000000       0.000000 
1 1 1 5   0  11 o 161.555 30.600 6.1013  1.8747 5.0754  2.6269  7.1662  2.6763 132.934 49.935 169.319 43.173 0.000000       0.000000 
1 1 1 5   0  12 o 473.416 32.745 48.295  6.4928 0.0000  0.0000  48.295  6.4928 473.416 32.745 473.416 32.745 0.000000       0.000000 
1 1 1 5   0  13 o 114.273 47.407 3.9048  2.2835 3.9048  2.2835  0.0000  0.0000 114.273 47.407 114.273 47.407 0.000000       0.000000 
1 1 1 5   0  14 o 194.572 27.518 8.5019  2.1367 7.1549  2.9568  9.9743  3.0913 165.632 48.527 206.171 39.639 0.000000       0.000000 
1 1 1 5   0  15 o 384.510 23.420 31.715  3.7812 30.445  5.2802  33.053  5.4172 373.860 33.997 390.108 33.352 0.000000       0.000000 
1 1 1 5   0  16 o 563.446 23.204 67.713  5.5153 65.583  7.6794  69.981  7.9262 552.354 33.102 570.779 33.044 0.000000       0.000000 
1 1 1 5   0  17 o 271.950 38.281 16.657  4.1576 0.0000  0.0000  16.657  4.1576 271.950 38.281 271.950 38.281 0.000000       0.000000 
1 1 1 5   0  18 o 560.603 23.262 67.058  5.5009 63.773  7.6533  70.568  7.9120 544.323 33.491 573.060 32.849 0.000000       0.000000 
1 1 1 5   0  19 o 399.679 34.757 34.793  5.7806 0.0000  0.0000  34.793  5.7806 399.679 34.757 399.679 34.757 0.000000       0.000000 
1 1 1 5   0  20 o 134.870 50.706 5.2520  2.7076 5.2520  2.7076  0.0000  0.0000 134.870 50.706 134.870 50.706 0.000000       0.000000 
1 1 1 5   0  21 o 606.040 23.488 78.470  6.0076 78.883  8.3344  78.023  8.6675 605.108 32.743 601.272 34.295 0.000000       0.000000 
1 1 1 5   0  22 o 635.193 23.703 86.251  6.3559 87.895  8.8321  84.486  9.1536 638.475 32.863 625.178 34.821 0.000000       0.000000 
1 1 1 5   0  23 o 548.197 23.860 64.393  5.5154 72.701  7.6584  55.442  7.9497 580.317 31.372 503.657 37.759 0.000000       0.000000 
1 1 1 5   0  24 o 218.094 29.022 10.701  2.5478 10.564  3.3944  10.879  3.8558 209.134 43.454 208.063 50.493 0.000000       0.000000 
1 1 1 5   0  25 o 845.249 24.638 153.164 8.8024 143.520 12.096  164.023 12.834 812.836 35.289 869.431 34.986 0.000000       0.000000 
1 1 1 5   0  26 o 131.291 42.231 4.7195  2.0725 2.1010  2.6960  8.5028  3.2406 84.502  48.154 180.710 48.990 0.000000       0.000000 
1 1 1 5   0  27 o 184.757 45.189 8.6473  3.0626 8.6473  3.0626  0.0000  0.0000 184.757 45.189 184.757 45.189 0.000000       0.000000 
1 1 1 5   0  28 o 143.471 39.243 5.3413  2.0615 8.8912  2.7036  0.4110  3.1862 192.879 37.051 72.342  46.296 0.000000       0.000000 
1 1 1 5   1  0  o 672.456 15.618 96.016  4.4478 90.751  6.2665  101.361 6.3140 652.762 22.669 690.050 21.606 -37.28729      31.31614 
1 1 1 5   1  1  o 152.859 16.612 5.0217  1.0581 5.2416  1.4792  4.7914  1.5140 155.163 23.225 147.879 25.072 7.284561       34.17604 
1 1 1 5   1  2  o 623.933 15.591 82.681  4.1197 83.828  5.8202  81.528  5.8322 627.325 21.908 618.599 22.263 8.725830       31.23431 
1 1 1 5   1  3  o 488.546 15.372 50.699  3.1803 52.266  4.4925  49.125  4.5029 495.299 21.418 480.084 22.148 15.21484       30.80985 
1 1 1 5   1  4  o 574.502 22.091 70.391  5.3746 72.344  7.6166  68.455  7.5851 579.570 31.146 563.495 31.917 16.07562       44.59544 
1 1 1 5   1  5  o 491.035 17.905 51.325  3.7232 45.865  6.4298  54.079  4.5668 460.114 33.222 503.467 21.419 -43.35318      39.52765 
1 1 1 5   1  6  f 988.637 16.973 207.968 7.1064 198.109 10.035  217.887 10.065 962.346 24.623 1009.68 23.539 -47.33423      34.06427 
1 1 1 5   1  7  o 412.213 15.576 36.121  2.7190 37.008  3.8446  35.234  3.8460 415.880 21.907 405.654 22.475 10.22559       31.38556 
1 1 1 5   1  8  o 530.628 15.779 59.833  3.5457 58.291  5.0062  61.386  5.0226 522.763 22.613 536.551 22.104 -13.78821      31.62186 
1 1 1 5   1  9  o 281.605 16.226 16.899  1.9269 15.586  2.7164  18.230  2.7338 269.337 24.069 291.722 22.298 -22.38452      32.81010 
1 1 1 5   1  10 o 353.942 15.868 26.588  2.3785 25.387  3.3559  27.801  3.3715 344.641 23.127 360.852 22.170 -16.21106      32.03687 
1 1 1 5   1  11 o 664.597 16.117 93.706  4.5363 88.095  6.3875  99.415  6.4434 643.704 23.431 683.949 22.246 -40.24445      32.30947 
1 1 1 5   1  12 o 458.513 22.690 44.664  4.4059 41.028  6.2067  48.356  6.2553 437.304 33.776 475.380 31.246 -38.07611      46.01224 
1 1 1 5   1  13 o 376.622 22.864 30.243  3.6295 25.662  5.0860  34.997  5.1811 345.025 35.305 404.241 30.489 -59.21603      46.64827 
1 1 1 5   1  14 o 522.934 16.038 58.003  3.5517 58.855  5.0012  57.136  5.0449 526.331 22.437 518.544 22.973 7.786682       32.11230 
1 1 1 5   1  15 o 839.009 16.846 149.366 5.9855 160.195 8.4770  138.600 8.4526 868.101 23.058 807.235 24.725 60.86584       33.80890 
1 1 1 5   1  16 o 817.593 16.788 141.872 5.8126 136.311 8.1884  147.521 8.2526 800.413 24.157 832.799 23.399 -32.38629      33.63166 
1 1 1 5   1  17 o 717.372 33.558 110.074 10.195 0.0000  0.0000  110.074 10.195 ?       ?      717.372 33.558 0.000000       33.55757 
1 1 1 5   1  18 o 292.823 17.114 18.268  2.1130 16.868  2.9896  19.665  2.9869 280.256 25.468 303.072 23.454 -22.81558      34.62214 
1 1 1 5   1  19 o 539.487 23.617 61.989  5.3956 63.597  7.6350  60.384  7.6262 543.893 33.308 529.712 34.178 14.18066       47.72395 
1 1 1 5   1  20 o 534.866 22.934 60.996  5.1948 64.804  7.3588  57.214  7.3345 548.683 31.806 514.880 33.826 33.80292       46.43039 
1 1 1 5   1  21 o 751.673 16.842 120.196 5.3612 115.323 7.5361  125.189 7.6285 734.460 24.229 765.440 23.533 -30.98029      33.77683 
1 1 1 5   1  22 o 590.415 16.603 74.207  4.1512 70.896  5.8366  77.597  5.9055 575.441 23.951 602.237 23.155 -26.79596      33.31339 
1 1 1 5   1  23 o 313.054 17.527 20.957  2.3143 22.213  3.2959  19.736  3.2503 320.872 24.438 302.057 25.652 18.81522       35.42968 
1 1 1 5   1  24 o 390.200 16.931 32.497  2.7977 33.072  4.0007  31.948  3.9139 391.286 24.263 384.591 24.153 6.695740       34.23569 
1 1 1 5   1  25 o 581.263 16.919 72.213  4.1649 68.368  5.8704  76.110  5.9098 562.654 24.637 594.185 23.486 -31.53131      34.03750 
1 1 1 5   1  26 o 594.577 19.813 75.957  4.9889 75.240  6.0290  77.513  8.8850 589.699 24.142 590.182 35.717 -0.4827271     43.11078 
1 1 1 5   1  27 o 233.971 37.583 12.562  3.5979 0.0000  0.0000  12.562  3.5979 ?       ?      233.971 37.583 0.000000       37.58330 
1 1 1 5   1  28 o 349.213 20.820 26.417  3.0650 31.192  5.5724  24.346  3.6701 371.712 35.843 332.991 26.238 38.72083       44.42031 
1 1 1 5   2  0  o 671.066 15.520 95.618  4.4105 94.993  6.2146  96.253  6.2604 667.946 21.970 672.359 21.987 -4.413147      31.08203 
1 1 1 5   2  1  o 1012.86 16.794 217.957 7.2037 223.033 10.170  212.847 10.205 1022.96 23.476 999.146 24.118 23.81476       33.65731 
1 1 1 5   2  2  o 1150.12 17.452 281.165 8.5000 281.019 11.994  281.313 12.048 1147.63 24.679 1148.20 24.777 -0.5654297     34.97046 
1 1 1 5   2  3  f 327.381 15.265 22.766  2.1164 23.547  2.9927  21.985  2.9932 331.764 21.415 320.403 22.197 11.36032       30.84299 
1 1 1 5   2  4  o 276.608 22.269 16.424  2.5865 15.196  3.6534  17.658  3.6622 263.700 33.468 285.172 30.814 -21.47180      45.49353 
1 1 1 5   2  5  o 447.108 21.811 42.662  4.1298 43.509  5.8100  41.796  5.8712 448.800 30.755 439.552 31.755 9.248505       44.20634 
1 1 1 5   2  6  o 520.964 15.562 57.705  3.4334 54.041  4.8482  61.391  4.8629 502.984 22.761 536.368 21.409 -33.38419      31.24699 
1 1 1 5   2  7  o 235.464 16.199 11.845  1.6054 13.361  2.2963  10.395  2.2454 249.276 21.978 219.163 24.618 30.11211       33.00103 
1 1 1 5   2  8  o 418.912 15.664 37.289  2.7789 38.883  3.9345  35.701  3.9255 426.527 21.855 408.484 22.783 18.04343       31.57071 
1 1 1 5   2  9  o 694.673 16.077 102.490 4.7295 99.587  6.6656  105.435 6.7118 683.681 23.022 703.561 22.526 -19.87970      32.20947 
1 1 1 5   2  10 o 419.997 15.756 37.436  2.8025 36.308  3.9694  38.558  3.9573 412.483 22.812 425.218 22.052 -12.73502      31.72787 
1 1 1 5   2  11 o 1050.04 17.342 233.985 7.7118 232.182 10.898  235.794 10.914 1044.81 24.631 1052.94 24.476 -8.126465      34.72386 
1 1 1 5   2  12 o 786.932 23.395 131.587 7.7965 132.928 11.059  130.263 10.993 789.548 33.076 781.571 33.212 7.976929       46.87238 
1 1 1 5   2  13 o 925.291 23.875 181.937 9.3555 187.080 13.159  176.681 13.303 936.724 33.172 910.059 34.518 26.66498       47.87364 
1 1 1 5   2  14 o 607.594 16.139 78.306  4.1527 78.657  5.8593  77.952  5.8865 608.432 22.740 605.681 22.949 2.750610       32.30754 
1 1 1 5   2  15 o 1036.87 17.508 228.165 7.6879 228.624 10.839  227.699 10.906 1036.76 24.688 1034.62 24.890 2.138916       35.05689 
1 1 1 5   2  16 o 1014.79 17.442 218.604 7.4957 220.492 10.560  216.687 10.642 1017.91 24.497 1009.01 24.904 8.904419       34.93249 
1 1 1 5   2  17 o 641.759 33.590 88.330  9.0972 0.0000  0.0000  88.330  9.0972 ?       ?      641.759 33.590 0.000000       33.58966 
1 1 1 5   2  18 o 586.675 16.408 73.066  4.0765 74.091  5.7532  72.032  5.7769 590.052 23.024 581.740 23.449 8.311157       32.86261 
1 1 1 5   2  19 o 906.870 24.787 175.273 9.5195 162.267 13.417  188.460 13.509 869.320 36.443 937.694 34.019 -68.37323      49.85406 
1 1 1 5   2  20 o 218.127 26.154 10.308  2.3678 8.8019  3.3306  11.846  3.3669 198.198 41.032 232.094 35.373 -33.89619      54.17448 
1 1 1 5   2  21 o 744.707 16.873 117.983 5.3215 113.998 7.4777  122.074 7.5747 730.222 24.181 755.797 23.666 -25.57489      33.83438 
1 1 1 5   2  22 o 472.726 16.723 47.577  3.3478 47.084  4.7114  48.079  4.7579 468.379 23.831 473.322 23.812 -4.943512      33.68897 
1 1 1 5   2  23 o 530.351 16.676 59.928  3.7453 62.521  5.2829  57.307  5.3105 540.177 23.094 516.847 24.262 23.33002       33.49596 
1 1 1 5   2  24 o 259.398 22.293 14.548  2.4252 13.739  4.3203  14.921  2.9305 245.308 43.164 261.531 26.839 -16.22305      50.82750 
1 1 1 5   2  25 o 306.040 21.142 20.215  2.7233 19.422  4.9285  20.563  3.2674 292.575 40.895 307.432 25.321 -14.85654      48.09965 
1 1 1 5   2  26 o 578.769 24.910 72.587  6.1055 66.319  8.4768  79.344  8.8013 544.738 36.964 597.678 34.925 -52.94012      50.85331 
1 1 1 5   2  27 o 407.986 24.598 36.313  4.2301 0.0000  0.0000  36.313  4.2301 ?       ?      407.986 24.598 0.000000       24.59811 
1 1 1 5   3  0  o 618.598 15.264 81.246  3.9987 79.017  5.6066  83.555  5.7046 609.207 21.732 626.492 21.501 -17.28491      30.57084 
1 1 1 5   3  1  o 899.706 16.252 171.948 6.1924 170.595 8.7098  173.332 8.8057 894.736 22.986 901.869 23.056 -7.132690      32.55650 
1 1 1 5   3  2  o 640.557 15.491 87.149  4.2023 85.002  5.9030  89.354  5.9836 631.625 22.068 647.640 21.817 -16.01508      31.03199 
1 1 1 5   3  3  o 335.653 15.119 23.931  2.1491 24.733  3.0269  23.116  3.0517 340.077 21.122 328.580 22.059 11.49683       30.54047 
1 1 1 5   3  4  o 774.988 22.738 128.174 7.4627 126.777 10.557  129.569 10.551 767.650 32.474 776.199 32.097 -8.548401      45.65925 
1 1 1 5   3  5  o 146.441 25.210 4.7150  1.5070 6.7380  2.1267  2.6745  2.1359 174.766 29.804 113.823 37.875 60.94246       48.19502 
1 1 1 5   3  6  o 277.236 15.683 16.394  1.8337 13.628  2.5806  19.216  2.6062 251.241 24.569 299.461 20.677 -48.21939      32.11159 
1 1 1 5   3  7  o 186.882 17.037 7.4904  1.3335 7.4645  1.8808  7.5167  1.8911 185.288 24.575 185.936 24.622 -0.6477661     34.78754 
1 1 1 5   3  8  o 677.311 15.948 97.485  4.5744 100.280 6.4481  94.653  6.4904 685.807 22.202 666.119 23.008 19.68793       31.97303 
1 1 1 5   3  9  o 1029.19 17.173 225.045 7.4851 218.542 10.544  231.650 10.627 1012.42 24.593 1042.49 24.072 -30.06995      34.41309 
1 1 1 5   3  10 o 938.135 16.855 186.835 6.6962 192.132 9.4569  181.509 9.4828 950.192 23.501 923.404 24.250 26.78827       33.76913 
1 1 1 5   3  11 o 599.437 15.950 76.227  4.0491 76.349  5.7139  76.104  5.7388 599.364 22.511 598.388 22.646 0.9757080      31.93119 
1 1 1 5   3  12 o 710.548 23.103 107.272 6.9520 109.897 9.8707  104.688 9.7929 717.996 32.462 700.695 33.002 17.30103       46.29177 
1 1 1 5   3  13 o 953.310 24.045 193.136 9.7074 205.195 13.674  180.883 13.784 981.064 32.912 920.631 35.354 60.43274       48.30172 
1 1 1 5   3  14 o 694.942 16.327 102.445 4.8049 100.896 6.7782  104.009 6.8123 689.038 23.229 699.611 22.993 -10.57269      32.68418 
1 1 1 5   3  15 o 1319.80 18.755 369.799 10.483 361.639 14.783  378.052 14.867 1303.38 26.783 1332.74 26.341 -29.36487      37.56538 
1 1 1 5   3  16 o 367.574 16.380 28.673  2.5498 24.985  3.5873  32.439  3.6251 341.722 24.961 390.000 22.039 -48.27829      33.29808 
1 1 1 5   3  17 o 775.370 23.582 127.944 7.7433 106.284 10.760  151.214 11.152 703.394 36.244 841.330 31.301 -137.9360      47.88911 
1 1 1 5   3  18 o 904.729 19.760 173.964 7.5710 167.814 9.2748  186.245 13.107 887.677 24.672 932.989 33.172 -45.31183      41.34139 
1 1 1 5   3  19 o 534.529 23.675 60.862  5.3593 62.926  7.5917  58.812  7.5666 540.959 33.300 522.644 34.378 18.31439       47.86187 
1 1 1 5   3  20 o 373.469 23.735 29.875  3.7344 32.207  5.2959  27.568  5.2667 385.917 32.712 356.174 35.385 29.74316       48.18928 
1 1 1 5   3  21 o 633.923 19.401 85.626  5.2083 88.844  9.0893  84.052  6.3552 640.916 33.605 627.052 23.932 13.86340       41.25572 
1 1 1 5   3  22 o 363.982 19.992 28.356  3.0698 25.266  5.4263  29.810  3.7229 338.542 38.535 372.430 23.728 -33.88803      45.25447 
1 1 1 5   3  23 o 504.574 19.501 54.371  4.1671 57.838  7.2803  52.681  5.0819 515.139 33.555 495.536 24.216 19.60312       41.38097 
1 1 1 5   3  24 o 320.582 20.948 22.123  2.8284 16.924  4.9838  24.593  3.4352 272.086 44.813 337.179 24.219 -65.09308      50.93845 
1 1 1 5   3  25 o 196.811 23.838 8.4700  1.9463 10.411  3.6092  7.6739  2.3112 212.598 41.577 185.335 30.508 27.26309       51.56908 
1 1 1 5   3  26 o 576.266 25.015 71.988  6.1048 80.194  8.6227  63.741  8.6444 601.519 33.988 532.644 38.584 68.87506       51.41914 
1 1 1 5   3  27 o 508.268 24.408 56.156  5.2537 0.0000  0.0000  56.156  5.2537 ?       ?      508.268 24.408 0.000000       24.40764 
1 1 1 5   4  0  o 662.679 15.314 93.245  4.2976 92.193  6.0536  94.314  6.1022 658.007 21.724 665.546 21.650 -7.538940      30.67035 
1 1 1 5   4  1  o 887.585 16.144 167.350 6.0683 164.400 8.5409  170.358 8.6235 878.287 22.963 894.109 22.774 -15.82196      32.34129 
1 1 1 5   4  2  o 272.000 15.193 15.762  1.7431 13.803  2.4374  17.812  2.4939 253.426 22.960 288.526 20.545 -35.09915      30.80961 
1 1 1 5   4  3  o 493.222 15.265 51.680  3.1885 50.820  4.4752  52.567  4.5442 488.294 21.641 496.619 21.607 -8.324371      30.58101 
1 1 1 5   4  4  o 801.497 22.761 137.122 7.7257 131.330 10.884  143.004 10.968 780.986 32.908 815.422 31.761 -34.43658      45.73541 
1 1 1 5   4  5  o 232.385 22.671 11.640  2.2027 9.8362  3.0608  13.577  3.1724 210.595 35.587 249.480 30.673 -38.88539      46.98203 
1 1 1 5   4  6  o 230.450 16.173 11.350  1.5684 12.711  2.2246  10.006  2.2114 243.055 21.846 214.884 24.753 28.17151       33.01494 
1 1 1 5   4  7  o 440.499 15.467 41.243  2.8854 40.877  4.0649  41.616  4.0964 437.141 22.029 441.643 21.902 -4.501831      31.06370 
1 1 1 5   4  8  o 335.318 15.697 23.889  2.2291 22.051  3.1220  25.801  3.1837 320.707 23.142 347.267 21.759 -26.56046      31.76456 
1 1 1 5   4  9  o 516.239 15.761 56.588  3.4457 53.726  4.8450  59.516  4.9014 502.259 22.778 528.747 21.889 -26.48822      31.59108 
1 1 1 5   4  10 f 690.830 16.126 101.287 4.7177 102.383 6.6538  100.180 6.6901 693.781 22.647 686.224 23.021 7.557556       32.29295 
1 1 1 5   4  11 o 348.289 18.579 25.823  2.7305 28.413  4.7473  24.542  3.3379 363.739 31.118 338.978 23.395 24.76083       38.93153 
1 1 1 5   4  12 o 419.758 22.811 37.543  4.0398 32.969  5.7131  42.116  5.7132 391.564 34.816 443.617 30.598 -52.05255      46.35069 
1 1 1 5   4  13 o 624.106 22.643 82.745  5.9845 82.817  8.4144  82.671  8.5131 622.564 32.024 621.936 32.434 0.6275024      45.57963 
1 1 1 5   4  14 o 1150.14 17.904 280.712 8.7208 256.977 12.279  304.869 12.388 1099.05 26.382 1197.49 24.428 -98.44214      35.95424 
1 1 1 5   4  15 o 551.268 16.281 64.477  3.8008 57.589  5.3152  71.685  5.4372 520.372 24.119 580.775 22.107 -60.40320      32.71778 
1 1 1 5   4  16 o 713.919 19.121 108.255 5.7811 106.645 10.025  109.058 7.0764 706.343 33.512 716.022 23.337 -9.679199      40.83745 
1 1 1 5   4  17 o 224.729 26.723 10.912  2.4934 0.0000  0.0000  10.912  2.4934 ?       ?      224.729 26.723 0.000000       26.72276 
1 1 1 5   4  18 o 525.965 23.434 58.885  5.2197 61.568  7.4291  56.269  7.3354 535.476 32.920 511.574 34.053 23.90131       47.36435 
1 1 1 5   4  19 o 465.367 23.616 46.250  4.6389 44.516  6.5263  48.021  6.5950 454.419 34.163 472.293 33.184 -17.87390      47.62652 
1 1 1 5   4  20 o 502.001 33.151 54.385  7.0080 0.0000  0.0000  54.385  7.0080 ?       ?      502.001 33.151 0.000000       33.15117 
1 1 1 5   4  21 o 219.561 22.542 10.400  2.0663 11.382  3.5533  9.8989  2.5399 226.120 38.485 212.851 28.926 13.26970       48.14354 
1 1 1 5   4  22 o 408.733 19.647 35.645  3.4007 43.750  6.0663  31.931  4.1067 448.906 32.122 385.089 25.323 63.81665       40.90345 
1 1 1 5   4  23 o 742.666 19.831 117.835 6.2372 123.181 10.888  115.224 7.6094 752.784 34.155 732.673 24.524 20.11053       42.04741 
1 1 1 5   4  24 o 245.635 21.745 13.047  2.2387 10.066  3.8083  14.621  2.7672 208.656 44.458 259.163 25.546 -50.50630      51.27495 
1 1 1 5   4  25 o 314.680 20.992 21.365  2.7814 19.299  4.9144  22.338  3.3738 291.544 40.931 320.562 25.051 -29.01782      47.98897 
1 1 1 5   4  26 o 247.557 42.181 14.166  4.2636 14.166  4.2636  0.0000  0.0000 247.557 42.181 ?       ?      0.000000       42.18057 
1 1 1 5   4  27 o 65.442  28.056 0.0000  1.3909 0.0000  0.0000  0.0000  1.3909 ?       ?      65.442  28.056 0.000000       28.05570 
1 1 1 5   5  0  o 503.232 17.000 53.812  3.6230 54.728  6.2112  53.339  4.4604 504.965 29.169 500.552 21.042 4.413605       35.96655 
1 1 1 5   5  1  o 1083.53 19.405 249.783 8.9041 266.776 15.321  241.116 10.941 1115.03 32.446 1063.13 24.302 51.90198       40.53848 
1 1 1 5   5  2  o 469.907 17.264 46.944  3.4356 47.000  5.8962  46.915  4.2274 467.393 29.946 469.276 21.272 -1.883362      36.73220 
1 1 1 5   5  3  o 639.974 17.838 87.125  4.8346 81.226  8.2817  90.174  5.9545 614.022 31.959 650.377 21.619 -36.35486      38.58438 
1 1 1 5   5  4  o 293.797 22.422 18.529  2.7686 18.328  3.9073  18.733  3.9237 290.066 32.360 293.356 32.107 -3.290497      45.58524 
1 1 1 5   5  5  o 210.440 34.952 9.8089  3.0057 0.0000  0.0000  9.8089  3.0057 ?       ?      210.440 34.952 0.000000       34.95245 
1 1 1 5   5  6  o 515.752 17.959 56.637  3.9226 55.121  6.7134  57.423  4.8335 504.974 31.551 518.600 22.008 -13.62543      38.46850 
1 1 1 5   5  7  o 172.176 20.461 6.4057  1.4627 6.2615  2.4376  6.4868  1.8284 167.267 35.509 172.276 25.860 -5.009155      43.92789 
1 1 1 5   5  8  o 303.642 18.604 19.686  2.3808 20.463  4.0204  19.267  2.9545 307.315 31.330 299.637 23.471 7.678253       39.14632 
1 1 1 5   5  9  o 862.868 19.178 158.284 7.0079 142.800 12.050  166.197 8.6145 815.831 34.878 883.396 23.027 -67.56500      41.79391 
1 1 1 5   5  10 o 651.208 18.572 90.063  5.1218 89.618  8.8224  90.289  6.2903 647.674 32.165 651.534 22.798 -3.860779      39.42505 
1 1 1 5   5  11 o 1169.59 25.303 290.978 12.533 304.589 17.788  277.561 17.661 1194.11 35.176 1139.49 36.598 54.62012       50.76148 
1 1 1 5   5  12 o 608.254 22.814 78.601  5.8767 80.809  8.3095  76.390  8.3123 614.937 32.019 597.672 32.968 17.26404       45.95775 
1 1 1 5   5  13 o 994.314 24.424 210.143 10.285 0.0000  0.0000  210.143 10.285 ?       ?      994.314 24.424 0.000000       24.42430 
1 1 1 5   5  14 o 694.226 18.997 102.303 5.5850 102.743 9.6865  102.084 6.8356 693.999 32.958 693.052 23.290 0.9469604      40.35683 
1 1 1 5   5  15 o 410.193 18.789 35.724  3.2638 39.604  5.6670  33.798  3.9925 429.745 31.355 397.957 23.799 31.78809       39.36417 
1 1 1 5   5  16 o 257.076 20.380 14.131  2.2005 13.210  3.8068  14.592  2.6967 245.530 37.826 260.684 24.723 -15.15443      45.18862 
1 1 1 5   5  17 f 482.595 23.085 49.557  4.7179 0.0000  0.0000  49.557  4.7179 ?       ?      482.595 23.085 0.000000       23.08459 
1 1 1 5   5  18 o 315.228 24.519 21.288  3.2474 20.683  4.6052  21.887  4.5799 308.620 35.906 317.865 34.581 -9.244781      49.85093 
1 1 1 5   5  19 o 557.869 23.546 66.302  5.5627 58.644  7.8200  74.146  7.9145 521.465 35.624 587.616 31.924 -66.15106      47.83553 
1 1 1 5   5  20 o 381.957 23.761 31.252  3.8244 0.0000  0.0000  31.252  3.8244 ?       ?      381.957 23.761 0.000000       23.76112 
1 1 1 5   5  21 o 410.199 19.570 35.863  3.3996 40.561  5.9492  33.586  4.1427 432.544 32.720 395.412 24.866 37.13220       41.09611 
1 1 1 5   5  22 o 255.708 21.730 14.074  2.3309 17.457  4.1912  12.559  2.8046 281.396 35.995 240.088 28.116 41.30824       45.67437 
1 1 1 5   5  23 o 345.813 20.515 25.656  2.9910 21.516  5.1194  27.801  3.6854 310.880 39.798 359.089 24.379 -48.20978      46.67172 
1 1 1 5   5  24 o 369.167 20.299 29.291  3.1614 31.542  5.6080  28.243  3.8275 377.569 35.489 361.038 25.191 16.53076       43.52078 
1 1 1 5   5  25 o 352.145 20.539 26.716  3.0498 24.045  5.2973  28.040  3.7299 326.772 39.053 359.459 24.651 -32.68637      46.18273 
1 1 1 5   5  26 o 180.244 30.869 7.3117  2.2715 4.5780  3.2390  9.9574  3.1864 142.223 46.608 208.525 37.460 -66.30197      59.79611 
1 1 1 5   5  27 f 311.672 25.752 21.315  3.3686 0.0000  0.0000  21.315  3.3686 ?       ?      311.672 25.752 0.000000       25.75197 
1 1 1 5   6  0  o 630.872 17.200 84.588  4.5954 84.322  7.7844  84.730  5.6933 627.674 29.285 630.776 21.313 -3.102295      36.21972 
1 1 1 5   6  1  o 569.618 17.194 68.970  4.1478 73.730  7.1037  66.508  5.1091 586.951 28.578 558.735 21.592 28.21521       35.81833 
1 1 1 5   6  2  o 686.840 17.721 100.328 5.1545 95.352  8.8212  102.907 6.3517 666.534 31.251 694.881 21.584 -28.34735      37.98014 
1 1 1 5   6  3  o 687.411 21.800 100.773 6.3462 95.848  8.9343  105.789 9.0160 667.795 31.592 701.981 30.328 -34.18591      43.79310 
1 1 1 5   6  4  f 364.317 17.671 28.251  2.7263 30.901  4.7101  26.916  3.3433 378.130 29.651 354.361 22.393 23.76990       37.15725 
1 1 1 5   6  5  o 989.802 34.085 211.568 14.288 0.0000  0.0000  211.568 14.288 ?       ?      989.802 34.085 0.000000       34.08538 
1 1 1 5   6  6  o 382.159 17.913 31.093  2.8990 29.585  4.9710  31.870  3.5687 369.254 32.109 385.776 21.935 -16.52209      38.88580 
1 1 1 5   6  7  o 599.768 18.188 76.561  4.6198 76.117  7.9597  76.787  5.6731 594.109 31.751 599.872 22.331 -5.763916      38.81807 
1 1 1 5   6  8  o 607.721 18.256 78.544  4.6983 72.340  8.0652  81.732  5.7804 579.473 33.002 619.313 22.040 -39.84015      39.68475 
1 1 1 5   6  9  o 611.797 18.326 79.535  4.7480 80.287  8.1636  79.151  5.8367 611.763 31.618 609.758 22.603 2.004272       38.86673 
1 1 1 5   6  10 o 531.280 18.350 59.936  4.1286 65.795  7.1353  56.987  5.0621 554.443 30.506 517.620 23.093 36.82355       38.26080 
1 1 1 5   6  11 o 715.536 22.964 108.812 6.9585 91.290  9.7204  127.230 9.9657 652.833 35.290 772.648 30.457 -119.8150      46.61563 
1 1 1 5   6  12 o 563.064 22.520 67.349  5.3699 62.862  7.5230  72.010  7.6674 542.012 32.931 580.522 31.304 -38.51050      45.43519 
1 1 1 5   6  13 o 550.178 22.859 64.310  5.3260 0.0000  0.0000  64.310  5.3260 ?       ?      550.178 22.859 0.000000       22.85893 
1 1 1 5   6  14 o 575.292 18.623 70.249  4.5372 61.377  7.7912  74.801  5.5813 535.079 34.568 593.339 22.212 -58.25983      41.08887 
1 1 1 5   6  15 o 566.009 18.675 68.020  4.4765 77.919  7.7645  63.092  5.4787 603.683 30.470 544.665 23.752 59.01843       38.63367 
1 1 1 5   6  16 o 1345.44 21.864 384.886 12.458 376.889 21.596  388.874 15.251 1325.68 38.467 1351.04 26.656 -25.35461      46.80026 
1 1 1 5   6  17 o 396.045 23.397 33.497  3.9067 0.0000  0.0000  33.497  3.9067 ?       ?      396.045 23.397 0.000000       23.39672 
1 1 1 5   6  18 o 414.176 23.469 36.634  4.0995 32.238  5.7945  41.039  5.8006 386.182 35.839 437.017 31.555 -50.83539      47.75093 
1 1 1 5   6  19 o 190.742 40.790 8.1364  3.1952 8.1364  3.1952  0.0000  0.0000 190.742 40.790 ?       ?      0.000000       40.79008 
1 1 1 5   6  20 o 491.721 23.355 51.596  4.8634 0.0000  0.0000  51.596  4.8634 ?       ?      491.721 23.355 0.000000       23.35490 
1 1 1 5   6  21 o 367.432 20.210 28.877  3.1327 28.459  5.5032  29.077  3.8104 360.707 36.530 367.823 24.604 -7.115997      44.04269 
1 1 1 5   6  22 o 188.688 24.584 7.7549  1.9178 4.3491  3.3887  9.3597  2.3262 143.048 47.712 207.001 27.193 -63.95377      54.91705 
1 1 1 5   6  23 o 247.486 26.812 13.335  2.7652 16.597  4.1294  10.683  3.7232 273.505 36.567 216.812 42.068 56.69264       55.73872 
1 1 1 5   6  24 f 511.155 19.716 55.967  4.2679 65.347  7.4606  51.405  5.2034 546.155 32.401 487.456 25.293 58.69888       41.10457 
1 1 1 5   6  25 o 282.944 21.632 17.316  2.5724 18.793  4.5107  16.604  3.1315 288.934 37.768 275.355 27.210 13.57864       46.54920 
1 1 1 5   6  26 o 614.004 24.184 81.683  6.2886 90.053  9.1316  74.132  8.6729 636.919 33.977 576.337 35.710 60.58234       49.29144 
1 1 1 5   6  27 o 323.580 25.217 22.938  3.4283 0.0000  0.0000  22.938  3.4283 ?       ?      323.580 25.217 0.000000       25.21717 
1 1 1 5   7  0  o 1111.13 23.180 263.262 10.907 256.620 15.202  270.309 15.658 1093.19 32.837 1121.91 32.957 -28.72034      46.52391 
1 1 1 5   7  1  o 1346.78 25.206 387.406 14.376 400.937 20.172  373.440 20.494 1364.70 34.903 1315.89 36.775 48.81555       50.70147 
1 1 1 5   7  2  o 427.857 20.795 39.006  3.7679 39.113  5.2794  38.894  5.3792 426.138 29.435 424.774 30.098 1.364380       42.09868 
1 1 1 5   7  3  o 1040.76 23.637 231.379 10.418 248.114 14.665  214.330 14.803 1073.71 32.252 996.468 35.078 77.24292       47.65107 
1 1 1 5   7  4  o 719.069 22.208 110.399 6.7628 0.0000  0.0000  110.399 6.7628 ?       ?      719.069 22.208 0.000000       22.20814 
1 1 1 5   7  5  o 397.754 21.870 33.877  3.6697 32.233  5.1262  35.605  5.2558 385.592 31.672 405.623 30.827 -20.03116      44.19760 
1 1 1 5   7  6  o 332.014 18.037 23.536  2.5266 22.998  4.3413  23.812  3.1069 325.325 31.922 333.266 22.140 -7.941132      38.84809 
1 1 1 5   7  7  o 593.520 18.089 74.961  4.5467 65.166  7.7976  80.007  5.5966 549.063 33.698 612.532 21.575 -63.46930      40.01269 
1 1 1 5   7  8  o 539.849 18.078 61.966  4.1331 59.736  7.1064  63.106  5.0807 526.796 32.006 544.245 22.044 -17.44855      38.86261 
1 1 1 5   7  9  o 535.913 18.279 61.020  4.1485 60.575  7.1886  61.242  5.0796 531.152 32.109 536.438 22.360 -5.286377      39.12745 
1 1 1 5   7  10 o 963.405 19.540 197.143 7.9722 188.834 13.764  201.337 9.7796 939.784 34.584 972.882 23.736 -33.09772      41.94617 
1 1 1 5   7  11 o 630.531 22.587 84.479  6.0313 89.876  8.5199  79.058  8.5391 649.360 30.982 607.827 33.300 41.53235       45.48372 
1 1 1 5   7  12 o 468.797 32.685 47.075  6.4484 0.0000  0.0000  47.075  6.4484 ?       ?      468.797 32.685 0.000000       32.68486 
1 1 1 5   7  13 o 925.190 19.634 181.704 7.6928 184.105 13.258  180.486 9.4452 929.017 33.699 921.482 24.204 7.534790       41.49061 
1 1 1 5   7  14 o 585.009 18.849 72.650  4.6699 65.264  7.9731  76.506  5.7615 551.838 34.287 599.999 22.675 -48.16125      41.10621 
1 1 1 5   7  15 o 897.415 19.742 171.058 7.5027 174.552 12.940  169.288 9.2087 903.844 33.805 892.039 24.376 11.80475       41.67732 
1 1 1 5   7  16 o 1080.85 25.105 248.740 11.492 234.330 16.181  263.401 16.322 1045.87 36.534 1109.46 34.740 -63.59607      50.41410 
1 1 1 5   7  17 o 231.825 20.970 11.519  2.0365 13.310  3.5207  10.619  2.4965 247.010 34.607 221.545 27.178 25.46413       44.00341 
1 1 1 5   7  18 o 567.402 23.126 68.532  5.5570 71.726  7.9089  65.418  7.8096 578.118 32.435 551.765 33.582 26.35291       46.68790 
1 1 1 5   7  19 o 892.273 24.362 169.741 9.2057 173.350 13.067  166.185 12.971 898.686 34.334 879.750 34.816 18.93634       48.89770 
1 1 1 5   7  20 o 895.661 24.533 171.364 9.3056 0.0000  0.0000  171.364 9.3056 ?       ?      895.661 24.533 0.000000       24.53323 
1 1 1 5   7  21 o 186.908 24.611 7.6019  1.9007 6.4144  3.1938  8.2531  2.3651 168.093 44.257 193.757 29.777 -25.66429      53.34155 
1 1 1 5   7  22 o 544.231 19.558 63.212  4.5076 68.670  7.7901  60.465  5.5268 562.338 32.855 531.069 24.574 31.26947       41.02837 
1 1 1 5   7  23 o 580.103 19.568 71.915  4.8073 74.737  8.3921  70.537  5.8649 585.074 34.017 573.141 24.163 11.93280       41.72535 
1 1 1 5   7  24 o 267.556 21.845 15.476  2.4536 15.576  4.3303  15.429  2.9777 262.221 40.283 265.776 26.823 -3.555115      48.39622 
1 1 1 5   7  25 o 223.945 28.762 11.082  2.6647 11.687  3.7005  10.431  3.8403 225.917 40.149 211.541 44.288 14.37614       59.77787 
1 1 1 5   7  26 o 367.220 24.782 29.388  3.8314 27.863  5.4366  30.892  5.4005 351.456 37.087 371.594 34.720 -20.13754      50.80293 
1 1 1 5   7  27 f 583.754 24.513 74.152  6.0601 0.0000  0.0000  74.152  6.0601 ?       ?      583.754 24.513 0.000000       24.51341 
1 1 1 5   8  0  o 689.302 20.484 101.188 5.9796 103.314 8.2904  98.884  8.6328 694.729 28.178 679.176 30.014 15.55310       41.16893 
1 1 1 5   8  1  o 507.742 20.224 54.909  4.3487 58.502  6.0633  51.102  6.2406 522.095 27.520 487.131 30.403 34.96381       41.00843 
1 1 1 5   8  2  o 230.272 21.215 11.399  2.0456 10.276  2.7998  12.685  2.9960 216.511 31.456 241.339 29.958 -24.82819      43.43893 
1 1 1 5   8  3  o 411.588 29.481 36.567  5.1046 36.567  5.1046  0.0000  0.0000 411.588 29.481 ?       ?      0.000000       29.48085 
1 1 1 5   8  4  o 242.119 32.330 12.846  3.2321 0.0000  0.0000  12.846  3.2321 ?       ?      242.119 32.330 0.000000       32.32964 
1 1 1 5   8  5  o 908.433 23.018 176.372 8.8554 167.661 12.430  185.350 12.619 881.278 33.304 927.214 32.138 -45.93585      46.28189 
1 1 1 5   8  6  o 200.015 19.651 8.6052  1.6431 9.6231  2.7647  8.0494  2.0430 209.091 32.261 192.281 25.734 16.81015       41.26774 
1 1 1 5   8  7  o 796.274 18.610 134.934 6.2757 145.952 10.815  129.341 7.7057 824.494 30.974 778.471 23.374 46.02295       38.80364 
1 1 1 5   8  8  o 1040.23 19.712 230.210 8.6835 217.107 14.944  236.891 10.670 1005.06 35.109 1054.05 23.903 -48.98877      42.47365 
1 1 1 5   8  9  o 1081.96 19.944 248.836 9.1386 247.425 15.759  249.551 11.217 1074.73 34.624 1082.46 24.470 -7.732056      42.39784 
1 1 1 5   8  10 o 806.055 18.870 137.962 6.4413 145.662 11.120  134.073 7.9021 826.125 31.784 794.003 23.500 32.12177       39.52845 
1 1 1 5   8  11 o 366.371 22.847 28.632  3.5271 29.156  4.9751  28.102  5.0011 368.407 32.212 361.498 33.033 6.909332       46.13849 
1 1 1 5   8  12 o 821.625 33.400 143.958 11.621 0.0000  0.0000  143.958 11.621 ?       ?      821.625 33.400 0.000000       33.39962 
1 1 1 5   8  13 o 387.012 18.790 31.789  3.0796 38.408  5.3877  28.578  3.7532 423.550 30.236 365.848 24.364 57.70239       38.83030 
1 1 1 5   8  14 o 874.184 19.434 162.260 7.1945 161.892 12.397  162.446 8.8344 870.821 33.616 874.078 23.866 -3.257568      41.22655 
1 1 1 5   8  15 o 763.638 19.144 123.846 6.1911 118.062 10.603  126.838 7.6262 743.280 33.685 772.254 23.319 -28.97418      40.96862 
1 1 1 5   8  16 o 376.761 23.765 30.327  3.7724 24.694  5.1553  36.820  5.5349 337.562 36.652 413.940 31.817 -76.37766      48.53544 
1 1 1 5   8  17 o 678.493 19.270 97.822  5.5369 83.941  9.4322  105.120 6.8393 624.838 35.794 702.827 22.978 -77.98907      42.53514 
1 1 1 5   8  18 f 219.393 37.329 10.611  3.3440 10.611  3.3440  0.0000  0.0000 219.393 37.329 ?       ?      0.000000       37.32887 
1 1 1 5   8  19 o 766.821 23.795 125.357 7.7272 130.316 10.900  120.347 10.955 779.407 33.024 748.543 34.560 30.86420       47.80159 
1 1 1 5   8  20 o 199.775 28.844 8.7264  2.3696 0.0000  0.0000  8.7264  2.3696 ?       ?      199.775 28.844 0.000000       28.84350 
1 1 1 5   8  21 o 429.509 19.612 39.338  3.5674 41.815  6.3236  38.181  4.3205 438.418 34.333 421.684 24.297 16.73444       42.06076 
1 1 1 5   8  22 o 279.479 21.492 16.796  2.5242 16.507  4.5088  16.927  3.0464 271.939 40.377 279.594 26.028 -7.655029      48.03922 
1 1 1 5   8  23 o 616.575 19.564 81.263  5.1084 77.783  8.8733  82.988  6.2477 595.986 35.314 621.708 23.729 -25.72253      42.54590 
1 1 1 5   8  24 o 278.479 21.369 16.749  2.5009 16.908  4.4194  16.674  3.0333 273.685 39.254 276.500 26.218 -2.814758      47.20490 
1 1 1 5   8  25 o 144.514 36.573 4.8005  2.2402 5.0876  3.0609  4.4694  3.2874 148.609 44.868 141.751 46.980 6.858078       64.96353 
1 1 1 5   8  26 o 220.472 27.900 10.776  2.5467 12.363  3.8270  9.5154  3.4117 231.089 40.586 201.826 41.308 29.26314       57.90999 
1 1 1 5   8  27 o 134.198 30.522 4.1244  1.6954 5.4031  3.1148  3.5861  2.0210 150.984 45.190 124.790 36.154 26.19348       57.87236 
1 1 1 5   9  0  f 496.175 19.389 52.414  4.0741 52.613  5.6393  52.196  5.8923 495.147 26.995 492.839 28.351 2.308014       39.14767 
1 1 1 5   9  1  o 687.590 20.542 100.749 5.9816 96.861  8.2638  105.029 8.6693 672.064 29.035 699.758 29.255 -27.69495      41.21737 
1 1 1 5   9  2  o 815.526 30.008 142.881 10.364 142.881 10.364  0.0000  0.0000 815.526 30.008 ?       ?      0.000000       30.00782 
1 1 1 5   9  3  o 201.049 22.267 8.7347  1.8640 9.7737  2.5880  7.6148  2.6870 211.266 29.750 184.672 35.648 26.59409       46.43145 
1 1 1 5   9  4  o 570.222 30.499 70.161  7.3382 0.0000  0.0000  70.161  7.3382 ?       ?      570.222 30.499 0.000000       30.49851 
1 1 1 5   9  5  o 223.665 22.798 10.796  2.1292 10.439  2.9890  11.164  3.0340 217.537 33.521 225.314 32.756 -7.777420      46.86813 
1 1 1 5   9  6  o 260.489 22.545 14.591  2.4626 14.388  3.4530  14.801  3.5129 256.561 32.510 260.252 32.588 -3.691315      46.03125 
1 1 1 5   9  7  o 662.371 22.141 93.534  6.2108 97.944  8.7491  89.054  8.8181 675.734 30.573 643.023 32.487 32.71069       44.61111 
1 1 1 5   9  8  o 837.651 18.765 149.174 6.6566 139.868 11.403  153.984 8.1983 807.597 33.342 850.240 22.769 -42.64325      40.37479 
1 1 1 5   9  9  o 325.875 18.467 22.629  2.5381 22.273  4.3886  22.808  3.1112 321.126 32.728 326.650 22.630 -5.524017      39.79024 
1 1 1 5   9  10 o 676.749 18.482 97.229  5.2969 104.546 9.2125  93.616  6.4741 700.095 31.073 663.578 23.038 36.51697       38.68135 
1 1 1 5   9  11 o 756.958 22.938 121.753 7.3531 126.446 10.418  117.095 10.380 770.142 31.943 740.938 33.080 29.20447       45.98510 
1 1 1 5   9  12 o 324.690 33.751 22.724  4.5731 0.0000  0.0000  22.724  4.5731 ?       ?      324.690 33.751 0.000000       33.75108 
1 1 1 5   9  13 o 895.136 19.386 170.098 7.3490 178.609 12.719  165.834 9.0041 915.079 32.820 883.232 24.073 31.84680       40.70229 
1 1 1 5   9  14 o 480.984 18.718 49.114  3.8128 54.004  6.5630  46.624  4.6844 502.280 31.006 467.664 23.730 34.61597       39.04433 
1 1 1 5   9  15 o 423.138 18.937 38.026  3.3934 40.040  5.8364  36.997  4.1709 431.825 32.145 416.351 23.754 15.47379       39.96935 
1 1 1 5   9  16 o 910.467 34.192 177.399 13.184 0.0000  0.0000  177.399 13.184 ?       ?      910.467 34.192 0.000000       34.19235 
1 1 1 5   9  17 o 1219.38 21.243 316.208 10.970 336.258 19.013  306.204 13.430 1252.45 35.847 1198.51 26.461 53.94568       44.55516 
1 1 1 5   9  18 o 541.257 23.583 62.390  5.4056 66.622  7.6603  58.192  7.6290 556.938 32.621 519.851 34.855 37.08795       47.73882 
1 1 1 5   9  19 o 1164.43 25.834 289.495 12.739 279.048 17.925  300.155 18.108 1138.20 37.188 1180.98 36.206 -42.78381      51.90223 
1 1 1 5   9  20 o 575.257 19.220 70.478  4.6822 71.893  8.0249  69.747  5.7653 576.883 32.985 571.383 23.826 5.500183       40.69007 
1 1 1 5   9  21 o 900.862 20.138 173.157 7.6829 177.765 13.380  170.890 9.3840 905.923 34.876 893.194 24.808 12.72919       42.79945 
1 1 1 5   9  22 o 101.173 31.620 2.2011  1.5039 0.3288  2.6133  3.1282  1.8390 92.714  39.047 118.762 34.509 -26.04771      52.11122 
1 1 1 5   9  23 o 315.306 20.738 21.372  2.7537 11.892  4.7361  26.213  3.3845 225.663 50.785 348.749 23.046 -123.0853      55.76953 
1 1 1 5   9  24 o 452.777 19.588 43.945  3.7559 50.862  6.5840  40.608  4.5730 481.014 32.512 432.895 25.052 48.11880       41.04396 
1 1 1 5   9  25 o 398.677 25.243 34.544  4.2399 34.738  5.9378  34.343  6.0562 394.697 35.917 391.868 36.929 2.828674       51.51466 
1 1 1 5   9  26 o 505.400 34.003 56.966  7.2353 0.0000  0.0000  56.966  7.2353 ?       ?      505.400 34.003 0.000000       34.00274 
1 1 1 5   9  27 o 287.576 21.426 17.980  2.5906 11.912  4.3347  21.352  3.2311 222.347 47.479 312.249 24.635 -89.90186      53.48936 
1 1 1 5   10 0  o 398.252 18.998 33.771  3.2042 31.325  4.3893  36.560  4.6883 381.488 27.350 412.363 26.996 -30.87546      38.42905 
1 1 1 5   10 1  o 347.425 26.960 26.009  3.9356 26.009  3.9356  0.0000  0.0000 347.425 26.960 ?       ?      0.000000       26.96031 
1 1 1 5   10 2  o 350.214 27.828 26.477  4.0932 26.477  4.0932  0.0000  0.0000 350.214 27.828 ?       ?      0.000000       27.82786 
1 1 1 5   10 3  o 295.833 30.150 19.012  3.7244 0.0000  0.0000  19.012  3.7244 ?       ?      295.833 30.150 0.000000       30.14973 
1 1 1 5   10 4  o 349.682 20.969 26.186  3.0909 28.757  4.3287  23.512  4.4150 364.888 28.232 328.730 32.124 36.15796       42.76706 
1 1 1 5   10 5  f 270.174 21.792 15.680  2.4722 17.205  3.4502  14.070  3.5441 281.536 29.371 253.197 33.903 28.33873       44.85621 
1 1 1 5   10 6  o 816.885 22.404 142.405 7.7505 150.418 10.927  134.293 10.995 836.646 30.840 789.743 32.874 46.90308       45.07607 
1 1 1 5   10 7  o 409.918 21.781 35.903  3.7676 37.472  5.2960  34.295  5.3608 417.113 30.185 398.511 32.036 18.60242       44.01632 
1 1 1 5   10 8  o 870.583 23.038 161.407 8.4938 150.433 11.900  172.803 12.127 837.789 33.542 898.448 31.872 -60.65930      46.26959 
1 1 1 5   10 9  o 964.193 23.687 197.825 9.6722 196.993 13.554  198.688 13.807 959.852 33.344 963.835 33.825 -3.982910      47.49722 
1 1 1 5   10 10 o 510.009 22.154 55.276  4.7849 56.055  6.7508  54.490  6.7830 511.735 31.301 504.403 31.919 7.331879       44.70532 
1 1 1 5   10 11 o 288.924 24.326 17.870  2.9487 17.969  4.0863  17.762  4.2593 288.230 34.140 286.214 35.932 2.016083       49.56501 
1 1 1 5   10 12 o 447.281 22.980 42.620  4.3382 0.0000  0.0000  42.620  4.3382 ?       ?      447.281 22.980 0.000000       22.98031 
1 1 1 5   10 13 o 1225.42 20.888 318.936 10.840 325.130 18.701  315.803 13.302 1233.63 35.797 1218.41 25.780 15.21765       44.11423 
1 1 1 5   10 14 o 297.237 19.565 18.843  2.4491 16.562  4.3314  19.915  2.9693 275.615 38.131 305.187 23.146 -29.57260      44.60619 
1 1 1 5   10 15 o 681.357 18.987 98.606  5.4786 100.186 9.4421  97.804  6.7268 684.750 32.560 678.035 23.427 6.714233       40.11236 
1 1 1 5   10 16 o 381.684 34.321 31.429  5.4883 0.0000  0.0000  31.429  5.4883 ?       ?      381.684 34.321 0.000000       34.32093 
1 1 1 5   10 17 o 900.062 19.750 172.191 7.5281 177.304 12.988  169.604 9.2380 910.035 33.702 892.375 24.445 17.65924       41.63361 
1 1 1 5   10 18 o 472.074 23.755 47.589  4.7339 52.323  6.5868  42.531  6.8082 493.484 31.685 443.589 36.567 49.89456       48.38536 
1 1 1 5   10 19 o 505.104 33.520 55.043  7.1295 0.0000  0.0000  55.043  7.1295 ?       ?      505.104 33.520 0.000000       33.52049 
1 1 1 5   10 20 o 621.533 19.287 82.294  5.0767 79.064  8.6969  83.964  6.2525 604.434 34.116 626.879 23.552 -22.44501      41.45562 
1 1 1 5   10 21 o 615.788 19.501 80.886  5.0855 90.329  8.8008  76.153  6.2311 646.683 32.136 596.183 24.680 50.49976       40.51884 
1 1 1 5   10 22 o 229.519 23.139 11.396  2.2184 8.1624  3.6070  13.364  2.8134 188.460 45.672 247.777 27.263 -59.31702      53.19022 
1 1 1 5   10 23 o 316.722 21.507 21.598  2.8676 32.375  5.0230  16.387  3.4927 384.938 31.077 273.185 30.723 111.7529       43.69990 
1 1 1 5   10 24 f 458.361 19.568 45.049  3.7983 42.466  6.4666  46.409  4.6933 437.737 35.181 463.188 24.009 -25.45041      42.59214 
1 1 1 5   10 25 o 368.434 35.600 30.303  5.4855 30.303  5.4855  0.0000  0.0000 368.434 35.600 ?       ?      0.000000       35.60050 
1 1 1 5   10 26 o 299.054 25.728 19.616  3.2267 0.0000  0.0000  19.616  3.2267 ?       ?      299.054 25.728 0.000000       25.72825 
1 1 1 5   10 27 f 226.949 23.369 11.296  2.2139 11.816  3.8573  11.041  2.7036 224.090 42.194 222.131 29.467 1.959290       51.46524 
1 1 1 5   11 0  o 835.180 20.287 148.705 7.1751 142.350 9.9726  155.526 10.331 814.296 28.919 851.253 28.658 -36.95624      40.71376 
1 1 1 5   11 1  o 270.867 27.824 15.904  3.1464 15.904  3.1464  0.0000  0.0000 270.867 27.824 ?       ?      0.000000       27.82423 
1 1 1 5   11 2  o 347.763 29.575 26.182  4.3143 0.0000  0.0000  26.182  4.3143 ?       ?      347.763 29.575 0.000000       29.57475 
1 1 1 5   11 3  o 313.625 29.759 21.338  3.9051 0.0000  0.0000  21.338  3.9051 ?       ?      313.625 29.759 0.000000       29.75851 
1 1 1 5   11 4  f 191.088 22.705 7.9092  1.8015 5.8697  2.4552  10.288  2.6514 161.480 36.731 216.821 29.652 -55.34013      47.20641 
1 1 1 5   11 5  o 318.632 21.184 21.751  2.8422 24.693  3.9610  18.629  4.0808 338.206 27.904 292.074 33.604 46.13229       43.67957 
1 1 1 5   11 6  o 525.807 21.301 58.933  4.7432 57.788  6.5894  60.165  6.8331 518.104 30.163 528.547 30.659 -10.44269      43.00885 
1 1 1 5   11 7  o 335.638 21.637 24.092  3.0590 24.811  4.2733  23.336  4.3810 339.096 30.069 328.396 31.904 10.70038       43.84087 
1 1 1 5   11 8  o 468.657 21.727 46.731  4.3123 46.030  6.0070  47.477  6.1942 463.016 30.811 470.166 31.288 -7.150330      43.91184 
1 1 1 5   11 9  f 252.546 23.583 13.684  2.4931 16.633  3.5426  10.791  3.5091 277.533 30.653 221.224 38.875 56.30888       49.50616 
1 1 1 5   11 10 o 199.064 37.484 8.7460  3.0440 8.7460  3.0440  0.0000  0.0000 199.064 37.484 ?       ?      0.000000       37.48355 
1 1 1 5   11 11 o 589.365 32.182 74.270  8.0020 0.0000  0.0000  74.270  8.0020 ?       ?      589.365 32.182 0.000000       32.18232 
1 1 1 5   11 12 o 439.195 18.436 40.937  3.4289 47.091  5.8887  37.780  4.2177 469.269 29.786 420.941 23.757 48.32825       38.09987 
1 1 1 5   11 13 o 384.293 18.832 31.350  3.0648 33.969  5.2662  30.009  3.7687 397.898 31.510 374.946 23.859 22.95181       39.52368 
1 1 1 5   11 14 o 382.840 19.123 31.125  3.1004 30.757  5.2406  31.323  3.8457 378.075 33.063 383.021 23.827 -4.945190      40.75418 
1 1 1 5   11 15 f 1289.76 21.380 353.656 11.678 344.482 20.139  358.304 14.333 1267.64 37.515 1296.93 26.097 -29.29456      45.69906 
1 1 1 5   11 16 o 159.021 45.216 5.5988  3.1894 0.0000  0.0000  5.5988  3.1894 ?       ?      159.021 45.216 0.000000       45.21626 
1 1 1 5   11 17 o 1250.12 21.309 332.413 11.281 321.945 19.408  337.754 13.864 1224.56 37.424 1258.74 26.008 -34.18396      45.57373 
1 1 1 5   11 18 o 894.971 34.406 171.816 13.040 171.816 13.040  0.0000  0.0000 894.971 34.406 ?       ?      0.000000       34.40599 
1 1 1 5   11 19 o 786.172 23.978 131.900 7.9833 0.0000  0.0000  131.900 7.9833 ?       ?      786.172 23.978 0.000000       23.97830 
1 1 1 5   11 20 o 1103.41 20.774 259.689 9.7072 263.082 16.760  257.977 11.908 1102.68 35.890 1097.70 25.616 4.982544       44.09407 
1 1 1 5   11 21 o 550.462 19.440 64.646  4.5318 65.981  7.8032  63.967  5.5669 551.066 33.597 546.474 24.055 4.591858       41.32061 
1 1 1 5   11 22 o 294.813 21.117 18.682  2.6189 15.335  4.4590  20.445  3.2359 261.141 41.724 307.569 25.061 -46.42807      48.67210 
1 1 1 5   11 23 o 486.303 19.560 50.610  4.0283 47.847  6.9439  52.012  4.9456 466.052 35.448 491.761 23.748 -25.70920      42.66771 
1 1 1 5   11 24 o 291.351 21.640 18.354  2.6509 19.472  4.3519  17.694  3.3427 295.170 35.528 284.010 28.163 11.15997       45.33683 
1 1 1 5   11 25 o 412.735 35.532 38.008  6.1500 38.008  6.1500  0.0000  0.0000 412.735 35.532 ?       ?      0.000000       35.53181 
1 1 1 5   11 26 o 555.456 24.297 67.068  5.7155 0.0000  0.0000  67.068  5.7155 ?       ?      555.456 24.297 0.000000       24.29729 
1 1 1 5   11 27 o 306.541 21.151 20.412  2.7289 22.833  4.8423  19.286  3.3035 316.578 36.805 295.734 26.664 20.84381       45.44887 
1 1 1 5   12 0  o 456.071 26.226 44.725  5.0441 44.725  5.0441  0.0000  0.0000 456.071 26.226 ?       ?      0.000000       26.22648 
1 1 1 5   12 1  o 416.019 19.139 36.888  3.3719 32.570  4.6366  41.735  4.9126 388.409 28.385 440.438 26.461 -52.02887      38.80563 
1 1 1 5   12 2  o 276.386 29.958 16.620  3.4504 0.0000  0.0000  16.620  3.4504 ?       ?      276.386 29.958 0.000000       29.95842 
1 1 1 5   12 3  f 421.364 20.018 37.871  3.5720 35.462  4.8962  40.613  5.2229 405.210 28.718 433.807 28.590 -28.59683      40.52298 
1 1 1 5   12 4  o 470.450 20.214 47.195  4.0273 43.943  5.5565  50.795  5.8455 451.326 29.229 485.565 28.553 -34.23904      40.86024 
1 1 1 5   12 5  o 606.146 20.846 78.341  5.3510 81.468  7.4241  74.961  7.7194 616.284 28.446 589.667 31.022 26.61700       42.08933 
1 1 1 5   12 6  o 554.780 21.035 65.571  4.9420 66.274  6.8752  64.820  7.1089 555.400 29.334 548.879 30.706 6.520874       42.46630 
1 1 1 5   12 7  o 628.158 21.490 83.999  5.7167 82.664  7.9843  85.405  8.1890 621.499 30.335 631.658 30.613 -10.15894      43.09750 
1 1 1 5   12 8  o 356.187 21.743 27.085  3.2640 29.192  4.5797  24.909  4.6532 368.604 29.588 339.721 32.749 28.88333       44.13562 
1 1 1 5   12 9  o 276.814 22.699 16.400  2.6375 18.336  3.6939  14.385  3.7671 291.665 30.351 256.997 35.566 34.66837       46.75589 
1 1 1 5   12 10 o 597.117 31.352 76.218  7.9003 76.218  7.9003  0.0000  0.0000 597.117 31.352 ?       ?      0.000000       31.35199 
1 1 1 5   12 11 o 495.301 32.043 52.512  6.6851 0.0000  0.0000  52.512  6.6851 ?       ?      495.301 32.043 0.000000       32.04276 
1 1 1 5   12 12 o 822.437 23.219 143.755 8.0870 146.279 11.357  141.158 11.518 828.187 32.382 813.369 33.438 14.81848       46.54774 
1 1 1 5   12 13 o 549.243 18.374 64.037  4.2738 63.230  7.3815  64.443  5.2418 543.436 32.217 550.643 22.479 -7.206421      39.28429 
1 1 1 5   12 14 o 610.662 18.699 79.189  4.8358 90.263  8.3332  73.566  5.9379 650.455 30.252 588.054 23.844 62.40143       38.51874 
1 1 1 5   12 15 o 542.698 18.833 62.564  4.3284 62.556  7.3958  62.569  5.3380 540.003 32.492 542.262 23.245 -2.258484      39.95042 
1 1 1 5   12 16 o 767.995 23.434 125.559 7.6217 0.0000  0.0000  125.559 7.6217 ?       ?      767.995 23.434 0.000000       23.43402 
1 1 1 5   12 17 o 813.139 19.351 140.538 6.6637 145.296 11.486  138.124 8.1813 823.833 32.922 805.305 23.989 18.52728       40.73475 
1 1 1 5   12 18 o 479.515 33.543 49.550  6.7686 49.550  6.7686  0.0000  0.0000 479.515 33.543 ?       ?      0.000000       33.54266 
1 1 1 5   12 19 o 533.696 34.702 61.602  7.8006 0.0000  0.0000  61.602  7.8006 ?       ?      533.696 34.702 0.000000       34.70198 
1 1 1 5   12 20 o 270.877 21.832 15.766  2.4831 17.706  4.2734  14.778  3.0510 283.715 36.407 260.928 28.052 22.78632       45.96075 
1 1 1 5   12 21 o 266.890 21.856 15.330  2.4486 11.364  4.0709  17.578  3.0651 223.558 44.563 285.085 25.663 -61.52695      51.42400 
1 1 1 5   12 22 f 210.581 23.930 9.6332  2.0962 8.4803  3.6344  10.208  2.5660 191.902 45.426 215.677 28.814 -23.77417      53.79370 
1 1 1 5   12 23 o 718.006 19.715 110.400 5.9948 120.219 10.389  105.500 7.3398 741.740 33.075 699.622 24.773 42.11810       41.32377 
1 1 1 5   12 24 o 310.377 21.209 20.807  2.7710 21.887  4.6618  20.217  3.4459 312.882 35.828 304.064 27.043 8.817657       44.88852 
1 1 1 5   12 25 o 266.463 37.740 16.118  4.1397 16.118  4.1397  0.0000  0.0000 266.463 37.740 ?       ?      0.000000       37.74027 
1 1 1 5   12 26 o 383.518 25.027 32.171  4.0425 0.0000  0.0000  32.171  4.0425 ?       ?      383.518 25.027 0.000000       25.02706 
1 1 1 5   12 27 o 232.104 22.569 11.789  2.1903 11.399  3.9270  11.964  2.6389 219.008 43.870 232.121 27.372 -13.11337      51.70856 
1 1 1 5   13 0  o 306.608 26.324 20.300  3.3849 20.300  3.3849  0.0000  0.0000 306.608 26.324 ?       ?      0.000000       26.32418 
1 1 1 5   13 1  o 630.319 28.016 85.343  7.4785 0.0000  0.0000  85.343  7.4785 ?       ?      630.319 28.016 0.000000       28.01644 
1 1 1 5   13 2  o 370.872 19.606 29.413  3.0684 27.463  4.2336  31.570  4.4535 356.429 28.279 382.457 27.684 -26.02817      39.57420 
1 1 1 5   13 3  o 258.373 21.299 14.344  2.3098 14.269  3.1827  14.428  3.3574 255.896 29.934 256.951 31.514 -1.054672      43.46513 
1 1 1 5   13 4  o 422.614 20.177 38.076  3.6111 38.764  4.9729  37.309  5.2523 424.242 27.833 415.594 30.045 8.647858       40.95618 
1 1 1 5   13 5  o 224.269 22.287 10.833  2.0886 10.325  2.8996  11.381  3.0111 216.808 32.589 227.951 32.079 -11.14355      45.72890 
1 1 1 5   13 6  o 493.685 20.691 51.897  4.3260 47.248  5.9507  57.106  6.2999 468.663 30.142 515.711 28.963 -47.04816      41.80208 
1 1 1 5   13 7  f 551.080 21.121 64.614  4.9292 62.526  6.8454  66.862  7.1036 539.971 30.054 558.411 30.150 -18.43970      42.57120 
1 1 1 5   13 8  o 578.420 21.332 71.132  5.2254 69.182  7.2823  73.202  7.5022 568.466 30.359 584.785 30.398 -16.31952      42.96227 
1 1 1 5   13 9  o 780.822 31.185 130.054 10.312 130.054 10.312  0.0000  0.0000 780.822 31.185 ?       ?      0.000000       31.18542 
1 1 1 5   13 10 o 523.305 21.850 58.176  4.8423 62.204  6.7492  53.904  6.9513 539.575 29.650 501.631 32.904 37.94418       44.29232 
1 1 1 5   13 11 o 1207.63 35.783 311.470 18.300 0.0000  0.0000  311.470 18.300 ?       ?      1207.63 35.783 0.000000       35.78260 
1 1 1 5   13 12 f 251.042 24.944 13.534  2.6168 13.161  3.6055  13.949  3.8039 245.712 35.694 252.934 36.574 -7.221558      51.10489 
1 1 1 5   13 13 o 568.594 22.667 68.728  5.4581 70.411  7.6328  66.967  7.8080 573.607 31.543 559.058 33.127 14.54932       45.74189 
1 1 1 5   13 14 o 642.936 22.880 87.921  6.2297 86.592  8.6612  89.346  8.9672 635.859 32.270 645.771 32.898 -9.911804      46.08307 
1 1 1 5   13 15 o 399.045 19.217 33.834  3.2476 38.759  5.4894  31.183  4.0281 424.886 30.715 381.825 25.050 43.06134       39.63464 
1 1 1 5   13 16 o 729.837 23.512 113.408 7.2670 0.0000  0.0000  113.408 7.2670 ?       ?      729.837 23.512 0.000000       23.51175 
1 1 1 5   13 17 o 432.265 23.516 39.910  4.2887 42.119  5.9840  37.577  6.1497 442.481 32.154 417.152 35.138 25.32809       47.62927 
1 1 1 5   13 18 o 608.485 23.266 78.915  5.9954 83.384  8.4852  74.459  8.4724 622.797 32.282 587.888 34.178 34.90833       47.01360 
1 1 1 5   13 19 o 146.329 46.456 4.6294  3.2342 0.0000  0.0000  4.6294  3.2342 ?       ?      146.329 46.456 0.000000       46.45618 
1 1 1 5   13 20 o 917.076 19.969 179.397 7.7553 168.085 13.309  185.213 9.5427 880.647 35.687 930.216 24.224 -49.56934      43.13218 
1 1 1 5   13 21 o 335.026 20.778 24.076  2.9335 32.221  4.9790  19.745  3.6305 385.047 30.792 301.407 28.793 83.64035       42.15666 
1 1 1 5   13 22 o 393.786 19.961 33.238  3.3179 37.847  5.6889  30.862  4.0845 416.237 32.532 377.902 25.675 38.33493       41.44264 
1 1 1 5   13 23 o 115.275 32.250 2.9887  1.6362 4.7144  2.7551  2.0484  2.0337 143.752 42.374 103.029 36.830 40.72295       56.14284 
1 1 1 5   13 24 o 325.364 20.768 22.845  2.8467 23.269  4.8689  22.625  3.5089 322.342 36.299 322.102 25.944 0.2400818      44.61702 
1 1 1 5   13 25 o 106.169 41.279 1.7898  2.6643 1.7898  2.6643  0.0000  0.0000 106.169 41.279 ?       ?      0.000000       41.27918 
1 1 1 5   13 26 f 692.296 24.841 104.458 7.2828 0.0000  0.0000  104.458 7.2828 ?       ?      692.296 24.841 0.000000       24.84062 
1 1 1 5   13 27 o 202.571 23.951 9.0436  2.0149 9.4888  3.3398  8.7888  2.5265 200.801 40.669 197.006 31.332 3.795471       51.33814 
1 1 1 5   14 0  o 474.334 26.751 48.430  5.3516 0.0000  0.0000  48.430  5.3516 ?       ?      474.334 26.751 0.000000       26.75055 
1 1 1 5   14 1  o 111.246 34.280 2.6815  1.7747 0.0000  0.0000  2.6815  1.7747 ?       ?      111.246 34.280 0.000000       34.28033 
1 1 1 5   14 2  o 512.728 19.125 56.035  4.1528 52.917  5.7612  59.408  5.9913 495.770 27.549 525.547 27.011 -29.77701      38.58139 
1 1 1 5   14 3  f 251.865 20.878 13.624  2.2069 13.579  3.0406  13.674  3.2081 249.760 29.304 250.267 30.928 -0.5070648     42.60534 
1 1 1 5   14 4  o 263.591 21.448 14.915  2.3734 14.097  3.2548  15.845  3.4685 254.333 30.850 269.828 30.911 -15.49448      43.67136 
1 1 1 5   14 5  o 120.443 28.434 3.2297  1.4271 2.5982  1.8571  4.1403  2.2300 110.738 35.208 136.353 37.465 -25.61518      51.41210 
1 1 1 5   14 6  o 312.761 20.933 20.913  2.7566 15.941  3.7411  26.819  4.0775 270.629 33.348 353.267 27.471 -82.63788      43.20558 
1 1 1 5   14 7  o 617.049 21.065 80.980  5.5046 86.608  7.6422  74.910  7.9355 636.998 28.329 590.975 31.825 46.02319       42.60691 
1 1 1 5   14 8  o 1138.99 23.870 276.009 11.514 283.795 16.041  267.735 16.536 1152.49 32.866 1118.76 34.903 33.72778       47.94152 
1 1 1 5   14 9  o 691.194 30.345 101.844 8.8824 101.844 8.8824  0.0000  0.0000 691.194 30.345 ?       ?      0.000000       30.34500 
1 1 1 5   14 10 o 550.082 31.512 64.714  7.3103 0.0000  0.0000  64.714  7.3103 ?       ?      550.082 31.512 0.000000       31.51197 
1 1 1 5   14 11 o 594.372 22.116 75.058  5.5667 72.214  7.6987  78.174  8.0587 581.180 31.396 604.721 31.577 -23.54047      44.52925 
1 1 1 5   14 12 o 297.726 23.066 18.954  2.8856 17.786  4.0057  20.215  4.1604 286.724 33.628 306.093 32.596 -19.36923      46.83315 
1 1 1 5   14 13 o 509.707 22.268 55.231  4.8066 60.546  6.7270  49.687  6.8705 531.986 29.981 481.021 33.945 50.96487       45.28956 
1 1 1 5   14 14 o 445.519 22.844 42.334  4.2955 40.795  5.9837  43.970  6.1700 435.672 32.669 452.447 32.416 -16.77484      46.02290 
1 1 1 5   14 15 o 216.126 27.222 10.115  2.4363 9.3591  3.3822  10.931  3.5125 205.200 40.358 222.532 38.676 -17.33165      55.89788 
1 1 1 5   14 16 o 1321.05 26.476 372.156 14.812 0.0000  0.0000  372.156 14.812 ?       ?      1321.05 26.476 0.000000       26.47597 
1 1 1 5   14 17 o 318.471 24.964 21.751  3.3399 19.676  4.5827  24.103  4.8778 300.493 36.779 333.401 35.073 -32.90863      50.82151 
1 1 1 5   14 18 o 408.181 24.190 35.668  4.1628 0.0000  0.0000  35.668  4.1628 ?       ?      408.181 24.190 0.000000       24.18967 
1 1 1 5   14 19 o 84.714  33.591 0.8483  1.7944 -0.5874 2.3676  2.7861  2.7505 80.994  35.637 120.711 42.865 -39.71635      55.74433 
1 1 1 5   14 20 o 472.791 19.326 47.674  3.8695 47.715  6.6529  47.652  4.7569 468.431 33.763 471.203 23.917 -2.772339      41.37584 
1 1 1 5   14 21 o 453.821 19.640 43.982  3.7746 34.563  6.3476  49.134  4.6949 395.964 38.334 478.880 23.150 -82.91574      44.78165 
1 1 1 5   14 22 o 451.375 19.501 43.563  3.7277 45.113  6.2856  42.723  4.6297 454.201 32.901 445.061 24.660 9.139954       41.11663 
1 1 1 5   14 23 o 160.228 27.762 5.7188  1.8155 5.6942  2.8648  5.7354  2.3470 156.800 42.209 158.396 35.827 -1.595718      55.36393 
1 1 1 5   14 24 o 327.923 24.668 23.394  3.4006 22.798  4.7614  24.014  4.8585 319.060 35.859 327.671 35.584 -8.611298      50.51854 
1 1 1 5   14 25 o 130.957 30.636 3.9173  1.6688 4.2717  2.7561  3.7122  2.0969 136.488 42.830 127.185 36.820 9.302391       56.48054 
1 1 1 5   14 26 o 328.639 25.776 23.736  3.5586 0.0000  0.0000  23.736  3.5586 ?       ?      328.639 25.776 0.000000       25.77620 
1 1 1 5   15 0  o 339.364 26.625 24.858  3.7958 0.0000  0.0000  24.858  3.7958 ?       ?      339.364 26.625 0.000000       26.62521 
1 1 1 5   15 1  o 622.525 19.091 82.606  5.0332 88.435  7.0458  76.532  7.1924 642.331 25.902 596.794 28.458 45.53723       38.48060 
1 1 1 5   15 2  o 632.308 19.409 85.218  5.1972 81.252  7.2183  89.486  7.4892 615.333 27.700 645.856 27.382 -30.52332      38.94910 
1 1 1 5   15 3  o 646.110 19.762 88.963  5.4073 91.534  7.5138  86.202  7.7878 653.529 27.149 633.666 29.021 19.86218       39.74010 
1 1 1 5   15 4  o 571.716 19.919 69.615  4.8226 68.168  6.6880  71.183  6.9607 564.148 27.993 576.364 28.517 -12.21564      39.96098 
1 1 1 5   15 5  o 594.723 20.387 75.296  5.1347 72.089  7.1080  78.796  7.4255 580.351 28.921 606.754 28.898 -26.40295      40.88437 
1 1 1 5   15 6  o 529.209 20.446 59.573  4.5822 59.899  6.3001  59.206  6.6766 528.837 28.233 525.341 30.136 3.496216       41.29513 
1 1 1 5   15 7  o 870.472 21.902 161.155 8.0739 155.727 11.157  167.122 11.698 853.833 30.857 884.426 31.233 -30.59283      43.90459 
1 1 1 5   15 8  o 495.258 28.978 52.459  6.0513 52.459  6.0513  0.0000  0.0000 495.258 28.978 ?       ?      0.000000       28.97805 
1 1 1 5   15 9  o 604.086 29.608 77.753  7.5744 77.753  7.5744  0.0000  0.0000 604.086 29.608 ?       ?      0.000000       29.60776 
1 1 1 5   15 10 o 695.181 31.444 103.026 9.2573 0.0000  0.0000  103.026 9.2573 ?       ?      695.181 31.444 0.000000       31.44421 
1 1 1 5   15 11 o 961.600 23.212 196.545 9.4527 189.794 13.162  203.736 13.584 943.116 32.955 977.171 32.825 -34.05493      46.51394 
1 1 1 5   15 12 o 786.698 22.586 131.558 7.5248 137.445 10.486  125.309 10.804 802.761 30.845 766.041 33.305 36.72015       45.39397 
1 1 1 5   15 13 o 839.563 22.993 149.917 8.1751 144.849 11.369  155.343 11.763 823.406 32.604 852.717 32.575 -29.31128      46.08874 
1 1 1 5   15 14 o 490.443 22.367 51.168  4.6457 51.367  6.4922  50.960  6.6505 489.300 31.499 487.161 32.421 2.138214       45.20271 
1 1 1 5   15 15 o 720.486 32.057 111.042 9.7812 111.042 9.7812  0.0000  0.0000 720.486 32.057 ?       ?      0.000000       32.05716 
1 1 1 5   15 16 o 546.484 23.057 63.585  5.3360 61.955  7.3941  65.356  7.7082 536.998 32.669 551.469 33.160 -14.47101      46.54934 
1 1 1 5   15 17 o 355.055 33.631 27.268  4.9966 27.268  4.9966  0.0000  0.0000 355.055 33.631 ?       ?      0.000000       33.63132 
1 1 1 5   15 18 o 314.724 24.801 21.280  3.2788 0.0000  0.0000  21.280  3.2788 ?       ?      314.724 24.801 0.000000       24.80103 
1 1 1 5   15 19 o 553.529 23.199 65.476  5.4382 65.660  7.6101  65.283  7.7739 550.891 32.768 549.006 33.598 1.885742       46.93144 
1 1 1 5   15 20 o 472.554 19.181 47.637  3.8385 42.172  6.4655  50.612  4.7701 439.553 35.024 486.260 23.164 -46.70728      41.99119 
1 1 1 5   15 21 o 530.159 19.234 60.020  4.3185 60.545  7.2876  59.736  5.3611 527.322 32.796 527.670 23.991 -0.3483276     40.63427 
1 1 1 5   15 22 o 284.726 21.099 17.465  2.5260 17.823  4.2657  17.271  3.1347 283.004 36.439 281.731 26.588 1.272766       45.10762 
1 1 1 5   15 23 o 469.578 19.496 47.291  3.8770 46.824  6.6191  47.535  4.7835 460.104 34.215 468.604 24.187 -8.500031      41.90083 
1 1 1 5   15 24 o 330.335 36.342 24.488  5.0000 24.488  5.0000  0.0000  0.0000 330.335 36.342 ?       ?      0.000000       36.34215 
1 1 1 5   15 25 o 118.734 32.266 3.2273  1.6648 4.6204  2.7647  2.4349  2.0852 140.864 42.668 107.932 37.399 32.93276       56.73796 
1 1 1 5   15 26 o 307.737 21.367 20.598  2.7673 16.103  4.5839  23.175  3.4712 261.623 42.858 324.759 25.443 -63.13583      49.84104 
1 1 1 5   16 0  o 313.482 18.356 21.006  2.4263 19.252  3.3751  22.882  3.4903 298.385 27.002 325.853 25.496 -27.46780      37.13715 
1 1 1 5   16 1  o 291.352 18.851 18.161  2.3135 17.341  3.2617  18.991  3.2819 282.998 27.566 296.533 26.410 -13.53488      38.17539 
1 1 1 5   16 2  o 298.653 19.569 19.086  2.4614 15.906  3.3948  22.611  3.5740 270.448 30.154 323.892 26.283 -53.44464      40.00029 
1 1 1 5   16 3  o 556.196 19.393 65.877  4.5679 65.910  6.3423  65.842  6.5846 554.865 26.991 553.619 28.178 1.246399       39.01934 
1 1 1 5   16 4  o 433.210 19.585 39.947  3.5931 36.060  4.9669  44.214  5.2043 409.374 28.834 453.875 27.201 -44.50095      39.63989 
1 1 1 5   16 5  o 645.326 20.328 88.607  5.5554 90.378  7.7132  86.697  8.0080 650.343 28.006 636.600 29.704 13.74280       40.82465 
1 1 1 5   16 6  o 669.300 20.630 95.258  5.8475 93.870  8.1045  96.766  8.4452 663.058 28.862 673.059 29.629 -10.00146      41.36287 
1 1 1 5   16 7  o 806.058 21.526 138.124 7.3479 145.042 10.210  130.691 10.584 824.617 29.235 782.207 31.950 42.41003       43.30716 
1 1 1 5   16 8  o 798.588 30.073 135.965 10.170 135.965 10.170  0.0000  0.0000 798.588 30.073 ?       ?      0.000000       30.07273 
1 1 1 5   16 9  o 779.554 31.647 129.589 10.448 0.0000  0.0000  129.589 10.448 ?       ?      779.554 31.647 0.000000       31.64713 
1 1 1 5   16 10 o 597.156 31.166 76.227  7.8544 0.0000  0.0000  76.227  7.8544 ?       ?      597.156 31.166 0.000000       31.16649 
1 1 1 5   16 11 o 651.423 21.740 90.169  5.9973 83.573  8.2753  97.466  8.7040 625.987 31.216 676.146 30.397 -50.15967      43.57080 
1 1 1 5   16 12 o 558.913 21.712 66.395  5.1391 64.962  7.1131  67.961  7.4330 550.995 30.604 563.480 31.272 -12.48456      43.75526 
1 1 1 5   16 13 o 439.018 22.309 41.095  4.1340 41.686  5.7189  40.448  5.9827 440.801 30.830 433.797 32.809 7.004395       45.02105 
1 1 1 5   16 14 o 524.052 22.313 58.430  4.9519 53.641  6.8428  63.696  7.1750 499.756 32.509 545.045 31.214 -45.28909      45.06842 
1 1 1 5   16 15 o 104.942 39.640 1.7303  2.4089 1.7303  2.4089  0.0000  0.0000 104.942 39.640 ?       ?      0.000000       39.63961 
1 1 1 5   16 16 o 760.272 23.209 123.096 7.4724 122.800 10.401  123.411 10.743 757.297 32.431 758.919 33.425 -1.621887      46.57264 
1 1 1 5   16 17 o 355.815 33.480 27.398  4.9855 27.398  4.9855  0.0000  0.0000 355.815 33.480 ?       ?      0.000000       33.47973 
1 1 1 5   16 18 o 535.313 33.914 61.946  7.6486 0.0000  0.0000  61.946  7.6486 ?       ?      535.313 33.914 0.000000       33.91419 
1 1 1 5   16 19 o 715.888 23.549 109.609 7.1393 106.983 9.9560  112.388 10.243 703.727 33.407 721.228 33.536 -17.50092      47.33612 
1 1 1 5   16 20 o 356.790 20.208 27.273  3.0408 26.926  5.1081  27.464  3.7844 350.509 34.876 356.891 25.201 -6.382294      43.02801 
1 1 1 5   16 21 o 462.099 19.370 45.621  3.7906 42.857  6.3782  47.131  4.7133 442.480 34.306 468.025 23.859 -25.54495      41.78693 
1 1 1 5   16 22 o 159.814 28.299 5.6868  1.8452 10.018  3.1193  3.3555  2.2885 210.881 36.234 123.564 39.062 87.31733       53.27966 
1 1 1 5   16 23 o 499.330 19.497 53.505  4.1229 60.036  7.0702  50.139  5.0751 522.145 32.130 480.708 25.016 41.43716       40.72028 
1 1 1 5   16 24 o 464.177 33.440 47.809  6.5294 47.809  6.5294  0.0000  0.0000 464.177 33.440 ?       ?      0.000000       33.43995 
1 1 1 5   16 25 o 148.177 35.914 5.1091  2.2301 0.0000  0.0000  5.1091  2.2301 ?       ?      148.177 35.914 0.000000       35.91363 
1 1 1 5   16 26 o 104.169 32.263 2.4303  1.5697 5.8390  2.6378  0.5615  1.9531 157.026 39.657 82.447  34.166 74.57932       52.34478 
1 1 1 5   17 0  o 341.983 18.341 24.979  2.6465 22.571  3.6782  27.565  3.8109 323.329 27.113 357.951 25.303 -34.62195      37.08544 
1 1 1 5   17 1  o 430.363 18.385 39.435  3.3507 38.728  4.7057  40.162  4.7722 424.477 26.307 432.323 26.189 -7.846741      37.12037 
1 1 1 5   17 2  o 313.917 19.090 21.058  2.5258 20.517  3.5743  21.597  3.5697 308.293 27.671 316.530 26.885 -8.237396      38.58104 
1 1 1 5   17 3  o 572.090 19.321 69.663  4.6809 73.527  6.5285  65.575  6.7150 586.448 26.287 552.580 28.795 33.86810       38.98884 
1 1 1 5   17 4  o 605.476 19.575 77.989  5.0193 80.437  6.9883  75.381  7.2138 613.637 26.892 593.679 28.693 19.95740       39.32468 
1 1 1 5   17 5  o 733.297 20.339 114.362 6.3162 113.275 8.7695  115.535 9.1048 728.279 28.434 735.328 29.238 -7.048584      40.78398 
1 1 1 5   17 6  o 597.833 20.343 75.967  5.1503 78.748  7.1329  72.937  7.4442 607.692 27.716 583.697 30.219 23.99567       41.00462 
1 1 1 5   17 7  o 896.809 30.356 171.568 11.529 171.568 11.529  0.0000  0.0000 896.809 30.356 ?       ?      0.000000       30.35565 
1 1 1 5   17 8  o 1531.14 26.322 498.939 17.068 486.873 23.756  511.812 24.538 1508.72 37.181 1546.76 37.461 -38.04138      52.78002 
1 1 1 5   17 9  o 1225.50 34.903 320.740 18.114 0.0000  0.0000  320.740 18.114 ?       ?      1225.50 34.903 0.000000       34.90290 
1 1 1 5   17 10 o 590.537 21.319 74.086  5.3315 75.953  7.3900  72.059  7.6993 597.071 29.226 580.456 31.438 16.61517       42.92506 
1 1 1 5   17 11 f 312.135 22.142 20.811  2.9079 21.463  4.0160  20.092  4.2159 315.826 30.402 304.990 33.176 10.83542       44.99919 
1 1 1 5   17 12 o 190.193 25.824 7.8415  2.0262 8.8374  2.8070  6.7580  2.9278 200.572 34.278 174.034 40.488 26.53806       53.04952 
1 1 1 5   17 13 o 568.428 21.892 68.722  5.2699 67.713  7.2504  69.852  7.6730 562.251 30.565 570.805 31.869 -8.554626      44.15714 
1 1 1 5   17 14 o 194.010 27.911 8.1930  2.2272 10.269  2.9912  5.6100  3.3365 216.513 33.720 159.461 46.526 57.05170       57.46092 
1 1 1 5   17 15 o 127.134 40.503 3.4196  2.4568 3.4196  2.4568  0.0000  0.0000 127.134 40.503 ?       ?      0.000000       40.50288 
1 1 1 5   17 16 o 883.803 32.826 167.375 12.286 167.375 12.286  0.0000  0.0000 883.803 32.826 ?       ?      0.000000       32.82643 
1 1 1 5   17 17 o 808.807 23.335 139.488 7.9927 141.773 11.100  137.028 11.519 812.833 32.245 798.505 34.063 14.32819       46.90482 
1 1 1 5   17 18 o 426.617 34.517 39.511  6.1827 0.0000  0.0000  39.511  6.1827 ?       ?      426.617 34.517 0.000000       34.51716 
1 1 1 5   17 19 o 538.896 23.342 62.138  5.3271 62.940  7.4058  61.278  7.6685 538.785 32.611 530.948 34.288 7.836853       47.31948 
1 1 1 5   17 20 f 379.964 19.920 30.922  3.1942 30.987  5.5117  30.889  3.9196 375.965 35.020 378.644 24.576 -2.679016      42.78358 
1 1 1 5   17 21 o 378.426 19.837 30.705  3.1679 22.826  5.1545  35.487  4.0159 320.264 38.796 405.930 23.461 -85.66599      45.33789 
1 1 1 5   17 22 o 249.323 22.227 13.465  2.3223 9.3392  3.7856  15.954  2.9405 200.046 45.687 270.505 25.989 -70.45848      52.56195 
1 1 1 5   17 23 o 182.928 24.044 7.3507  1.8175 8.9731  3.0230  6.4323  2.2746 198.018 37.420 168.312 33.091 29.70589       49.95265 
1 1 1 5   17 24 o 286.255 36.133 18.505  4.2827 18.505  4.2827  0.0000  0.0000 286.255 36.133 ?       ?      0.000000       36.13274 
1 1 1 5   17 25 o 97.134  36.498 1.6913  2.0364 0.0000  0.0000  1.6913  2.0364 ?       ?      97.134  36.498 0.000000       36.49808 
1 1 1 5   17 26 f 418.224 19.943 37.791  3.5322 40.716  5.9387  36.190  4.3938 425.570 33.215 405.881 25.695 19.68939       41.99332 
1 1 1 5   18 0  o 326.785 18.230 22.801  2.5128 21.144  3.4629  24.643  3.6520 313.211 26.352 338.438 25.671 -25.22717      36.78917 
1 1 1 5   18 1  o 154.732 23.009 5.2187  1.4618 5.6602  2.0295  4.7426  2.1075 159.697 31.127 145.500 34.691 14.19702       46.60833 
1 1 1 5   18 2  o 505.992 18.701 54.477  4.0072 52.328  5.5787  56.768  5.7598 493.954 26.769 514.600 26.520 -20.64630      37.68104 
1 1 1 5   18 3  o 271.400 19.966 15.758  2.2787 15.163  3.1634  16.399  3.2851 264.748 28.673 275.461 28.576 -10.71286      40.48154 
1 1 1 5   18 4  o 627.655 19.679 83.774  5.2309 83.522  7.2827  84.042  7.5180 625.445 27.496 627.234 28.303 -1.789490      39.45954 
1 1 1 5   18 5  o 894.967 20.981 170.323 7.9520 163.353 11.060  177.783 11.442 874.561 29.862 912.439 29.610 -37.87775      42.05317 
1 1 1 5   18 6  o 592.831 27.797 74.908  6.9786 74.908  6.9786  0.0000  0.0000 592.831 27.797 ?       ?      0.000000       27.79666 
1 1 1 5   18 7  o 345.475 29.508 25.623  4.2758 25.623  4.2758  0.0000  0.0000 345.475 29.508 ?       ?      0.000000       29.50810 
1 1 1 5   18 8  o 644.048 30.352 88.420  8.2784 0.0000  0.0000  88.420  8.2784 ?       ?      644.048 30.352 0.000000       30.35162 
1 1 1 5   18 9  o 721.043 21.398 110.453 6.5341 116.188 9.0559  104.226 9.4370 738.506 28.956 699.011 31.879 39.49548       43.06627 
1 1 1 5   18 10 o 771.738 21.806 126.565 7.1266 131.018 9.8694  121.714 10.302 783.991 29.726 755.204 32.210 28.78680       43.83084 
1 1 1 5   18 11 o 903.456 22.503 173.546 8.6099 173.186 11.918  173.939 12.452 900.807 31.241 902.449 32.582 -1.642761      45.13951 
1 1 1 5   18 12 o 154.243 29.640 5.2452  1.8657 5.6549  2.4554  4.6856  2.8699 159.312 37.088 146.390 43.276 12.92163       56.99382 
1 1 1 5   18 13 o 552.105 21.721 64.840  5.0786 67.007  7.0566  62.512  7.3147 559.335 29.899 539.707 32.149 19.62787       43.90329 
1 1 1 5   18 14 o 283.197 24.046 17.205  2.8567 15.109  3.9832  19.425  4.0992 262.836 36.793 299.471 32.862 -36.63419      49.33210 
1 1 1 5   18 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   18 16 o 970.858 33.120 202.138 13.617 202.138 13.617  0.0000  0.0000 970.858 33.120 ?       ?      0.000000       33.11991 
1 1 1 5   18 17 o 593.193 33.171 75.876  8.2996 0.0000  0.0000  75.876  8.2996 ?       ?      593.193 33.171 0.000000       33.17131 
1 1 1 5   18 18 o 483.584 22.723 49.957  4.6536 51.166  6.4682  48.660  6.7002 486.447 31.569 473.674 33.620 12.77325       46.11811 
1 1 1 5   18 19 o 98.634  35.967 1.7482  1.9515 2.2752  2.8060  1.2545  2.7159 114.935 42.911 103.059 41.179 11.87560       59.47340 
1 1 1 5   18 20 o 226.862 28.659 11.270  2.6920 11.509  3.8495  11.042  3.7659 225.374 41.874 220.648 41.833 4.725067       59.18945 
1 1 1 5   18 21 o 209.574 23.148 9.5426  2.0201 7.6438  3.2943  10.687  2.5574 182.045 43.353 220.712 27.990 -38.66682      51.60308 
1 1 1 5   18 22 o 215.471 22.285 10.094  2.0041 11.389  3.4002  9.4053  2.4808 224.266 37.098 205.968 29.264 18.29816       47.25115 
1 1 1 5   18 23 o 226.589 39.135 11.767  3.6195 11.767  3.6195  0.0000  0.0000 226.589 39.135 ?       ?      0.000000       39.13494 
1 1 1 5   18 24 o 292.600 20.960 18.560  2.5800 18.218  4.3056  18.751  3.2227 283.270 36.758 292.181 26.327 -8.910858      45.21398 
1 1 1 5   18 25 o 302.259 27.191 20.208  3.4433 0.0000  0.0000  20.208  3.4433 ?       ?      302.259 27.191 0.000000       27.19110 
1 1 1 5   18 26 o 209.725 24.791 9.7294  2.1593 9.0494  3.4695  10.159  2.7586 194.310 43.273 211.608 31.764 -17.29875      53.67950 
1 1 1 5   19 0  o 231.206 19.168 11.456  1.8599 8.2009  2.5098  15.421  2.7699 192.961 31.822 267.580 24.724 -74.61905      40.29782 
1 1 1 5   19 1  o 448.192 18.191 42.724  3.4527 42.653  4.8361  42.798  4.9310 446.115 25.707 446.776 26.176 -0.6609802     36.68808 
1 1 1 5   19 2  o 409.748 18.385 35.699  3.1903 30.841  4.4692  40.746  4.5556 378.800 28.059 436.336 24.756 -57.53647      37.41880 
1 1 1 5   19 3  o 535.652 18.970 60.999  4.3033 58.214  6.0027  63.943  6.1723 521.474 27.276 547.365 26.627 -25.89111      38.11813 
1 1 1 5   19 4  o 484.946 19.154 49.979  3.9336 49.560  5.4658  50.429  5.6656 481.319 26.923 485.393 27.677 -4.073456      38.61123 
1 1 1 5   19 5  o 516.607 19.518 56.702  4.2701 59.983  5.9467  53.210  6.1355 530.594 26.465 498.572 29.186 32.02209       39.39816 
1 1 1 5   19 6  o 482.588 27.542 49.773  5.6055 49.773  5.6055  0.0000  0.0000 482.588 27.542 ?       ?      0.000000       27.54225 
1 1 1 5   19 7  o 546.609 29.584 63.863  6.8228 0.0000  0.0000  63.863  6.8228 ?       ?      546.609 29.584 0.000000       29.58411 
1 1 1 5   19 8  o 354.639 31.381 27.028  4.6643 0.0000  0.0000  27.028  4.6643 ?       ?      354.639 31.381 0.000000       31.38066 
1 1 1 5   19 9  o 1220.49 23.971 316.770 12.390 319.597 17.194  313.717 17.868 1223.52 33.184 1211.71 34.821 11.80859       48.10082 
1 1 1 5   19 10 o 679.412 21.425 98.098  6.1644 110.736 8.5604  84.487  8.8841 720.917 28.039 627.998 33.526 92.91858       43.70599 
1 1 1 5   19 11 o 615.619 21.333 80.563  5.5616 79.590  7.6614  81.647  8.0864 610.785 29.619 618.427 30.876 -7.641724      42.78588 
1 1 1 5   19 12 o 430.845 21.397 39.476  3.9040 41.298  5.4032  37.486  5.6472 438.907 29.237 417.505 32.188 21.40204       43.48347 
1 1 1 5   19 13 f 531.954 21.525 60.201  4.8490 60.697  6.6720  59.646  7.0595 532.203 29.722 527.113 31.773 5.090393       43.50769 
1 1 1 5   19 14 o 385.681 22.230 31.768  3.6155 32.316  5.0015  31.168  5.2326 387.521 30.728 380.103 32.829 7.417114       44.96584 
1 1 1 5   19 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   19 16 o 839.356 22.910 150.154 8.1435 142.132 11.204  159.137 11.856 813.953 32.505 861.269 32.506 -47.31665      45.96983 
1 1 1 5   19 17 o 250.708 38.827 13.909  3.9891 0.0000  0.0000  13.909  3.9891 ?       ?      250.708 38.827 0.000000       38.82725 
1 1 1 5   19 18 o 419.707 22.820 37.767  4.0409 35.143  5.5548  40.717  5.8893 402.122 32.907 433.204 32.334 -31.08206      46.13455 
1 1 1 5   19 19 o 164.917 34.699 6.1185  2.3467 7.5862  3.3566  4.7152  3.2820 182.017 44.026 146.600 46.825 35.41704       64.27190 
1 1 1 5   19 20 o 803.310 23.732 138.513 8.0735 115.796 11.079  164.233 11.789 728.159 35.929 869.921 32.000 -141.7625      48.11340 
1 1 1 5   19 21 o 468.659 23.568 47.359  4.6627 49.584  6.3914  44.827  6.8174 476.068 31.886 450.553 36.031 25.51443       48.11389 
1 1 1 5   19 22 o 171.368 25.347 6.4867  1.7840 7.5125  2.8523  5.8275  2.2865 180.607 38.470 159.654 34.800 20.95288       51.87468 
1 1 1 5   19 23 f 131.367 42.023 3.8834  2.6426 3.8834  2.6426  0.0000  0.0000 131.367 42.023 ?       ?      0.000000       42.02337 
1 1 1 5   19 24 o 467.089 24.375 47.569  4.8048 0.0000  0.0000  47.569  4.8048 ?       ?      467.089 24.375 0.000000       24.37461 
1 1 1 5   19 25 o 303.877 20.943 20.086  2.6787 21.716  4.2884  19.043  3.4302 310.044 33.176 292.814 28.004 17.22934       43.41472 
1 1 1 5   20 0  o 479.229 18.098 48.832  3.6729 51.327  5.1429  46.235  5.2473 489.801 24.875 464.413 26.794 25.38715       36.56091 
1 1 1 5   20 1  o 415.622 18.172 36.721  3.1984 36.915  4.4622  36.517  4.5870 415.163 25.503 412.749 26.380 2.414551       36.69193 
1 1 1 5   20 2  o 725.777 19.179 111.990 5.8949 109.737 8.2463  114.345 8.4301 716.982 27.159 731.873 27.199 -14.89093      38.43663 
1 1 1 5   20 3  o 487.460 19.117 50.499  3.9464 51.199  5.5155  49.765  5.6491 489.260 26.721 482.142 27.785 7.118042       38.54849 
1 1 1 5   20 4  o 1006.62 21.292 215.443 9.0766 208.846 12.699  222.333 12.978 989.005 30.320 1020.52 30.029 -31.51666      42.67359 
1 1 1 5   20 5  o 830.184 28.593 146.928 10.052 146.928 10.052  0.0000  0.0000 830.184 28.593 ?       ?      0.000000       28.59274 
1 1 1 5   20 6  o 516.151 19.704 56.581  4.3070 54.819  6.0005  58.453  6.1856 506.508 28.084 523.084 28.025 -16.57578      39.67545 
1 1 1 5   20 7  o 557.697 29.393 66.463  6.9176 0.0000  0.0000  66.463  6.9176 ?       ?      557.697 29.393 0.000000       29.39350 
1 1 1 5   20 8  o 775.999 20.923 127.929 6.8760 127.201 9.4622  128.744 10.009 772.628 28.919 777.042 30.416 -4.413452      41.96950 
1 1 1 5   20 9  o 696.906 21.087 103.201 6.2236 101.056 8.5687  105.595 9.0543 688.495 29.388 703.622 30.386 -15.12744      42.27247 
1 1 1 5   20 10 o 609.462 21.177 78.949  5.4658 78.464  7.5631  79.478  7.9080 606.525 29.445 609.478 30.737 -2.953064      42.56492 
1 1 1 5   20 11 o 269.211 23.329 15.537  2.6334 17.893  3.6987  13.115  3.7501 287.838 30.822 244.611 37.389 43.22766       48.45523 
1 1 1 5   20 12 o 308.518 23.076 20.373  2.9931 21.582  4.1949  19.119  4.2719 316.128 31.764 296.780 34.641 19.34827       46.99957 
1 1 1 5   20 13 o 641.532 30.050 87.984  8.1641 87.984  8.1641  0.0000  0.0000 641.532 30.050 ?       ?      0.000000       30.05010 
1 1 1 5   20 14 o 256.696 24.150 14.164  2.5944 11.593  3.5249  17.204  3.8325 229.348 37.594 281.547 32.756 -52.19899      49.86246 
1 1 1 5   20 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   20 16 f 341.902 33.962 25.373  4.8524 0.0000  0.0000  25.373  4.8524 ?       ?      341.902 33.962 0.000000       33.96243 
1 1 1 5   20 17 o 416.239 22.455 37.097  3.9436 34.716  5.4352  39.745  5.7307 400.216 32.345 428.546 31.803 -28.33020      45.36142 
1 1 1 5   20 18 o 308.075 24.903 20.472  3.2213 20.418  4.5770  20.525  4.5345 304.620 36.187 305.576 35.714 -0.9563599     50.84309 
1 1 1 5   20 19 o 503.815 22.899 54.392  4.8858 52.774  6.7501  56.173  7.0809 492.295 32.561 507.730 33.113 -15.43491      46.44049 
1 1 1 5   20 20 o 256.910 27.538 14.400  2.9494 14.699  4.0057  14.047  4.3587 256.283 38.064 248.680 42.940 7.602783       57.38221 
1 1 1 5   20 21 o 275.934 25.090 16.564  2.8999 14.935  3.8881  18.606  4.3533 258.035 36.607 288.545 36.438 -30.50931      51.65107 
1 1 1 5   20 22 o 406.970 23.908 35.937  4.1024 36.183  5.6001  35.653  6.0268 404.012 33.020 399.344 36.025 4.667816       48.86775 
1 1 1 5   20 23 f 418.824 33.171 39.018  5.8354 39.018  5.8354  0.0000  0.0000 418.824 33.171 ?       ?      0.000000       33.17105 
1 1 1 5   20 24 o 322.862 25.382 22.889  3.4424 0.0000  0.0000  22.889  3.4424 ?       ?      322.862 25.382 0.000000       25.38166 
1 1 1 5   20 25 o 301.908 20.953 19.840  2.6624 24.886  4.3723  16.867  3.3564 332.941 31.380 274.665 29.308 58.27634       42.93798 
1 1 1 5   21 0  o 487.899 17.922 50.588  3.7031 52.882  5.1582  48.149  5.3196 498.059 24.455 474.233 26.595 23.82562       36.12950 
1 1 1 5   21 1  o 1057.41 20.813 237.849 9.3199 232.974 12.993  243.017 13.377 1044.14 29.383 1066.33 29.622 -22.18799      41.72294 
1 1 1 5   21 2  o 1373.47 23.408 401.612 13.615 391.905 19.116  411.604 19.396 1353.01 33.362 1386.75 33.028 -33.73792      46.94554 
1 1 1 5   21 3  o 700.523 19.239 104.262 5.7076 104.883 7.9918  103.616 8.1542 701.475 26.902 697.102 27.621 4.373596       38.55721 
1 1 1 5   21 4  o 332.387 27.626 23.705  3.8534 23.705  3.8534  0.0000  0.0000 332.387 27.626 ?       ?      0.000000       27.62571 
1 1 1 5   21 5  o 437.339 19.388 40.620  3.5908 37.528  4.9875  43.948  5.1740 418.726 28.292 453.468 27.066 -34.74161      39.15380 
1 1 1 5   21 6  o 546.045 28.295 63.689  6.5206 0.0000  0.0000  63.689  6.5206 ?       ?      546.045 28.295 0.000000       28.29490 
1 1 1 5   21 7  o 232.697 23.569 11.631  2.2906 9.9718  3.1234  13.561  3.3693 213.136 35.878 250.001 32.600 -36.86478      48.47665 
1 1 1 5   21 8  o 975.189 21.886 202.128 9.0387 200.471 12.504  203.943 13.081 969.477 30.455 977.566 31.598 -8.088562      43.88549 
1 1 1 5   21 9  o 352.951 21.603 26.579  3.2135 29.604  4.4020  23.127  4.7020 371.638 28.179 327.116 34.461 44.52246       44.51509 
1 1 1 5   21 10 o 932.662 22.214 185.005 8.7740 185.092 12.099  184.908 12.742 931.019 30.688 930.122 32.349 0.8967285      44.58878 
1 1 1 5   21 11 o 302.639 21.926 19.586  2.7910 17.835  3.9363  21.356  3.9581 286.871 33.002 314.793 30.056 -27.92184      44.63725 
1 1 1 5   21 12 o 665.534 21.582 94.247  6.0827 93.609  8.4182  94.944  8.7990 661.773 30.038 666.232 31.186 -4.458923      43.29947 
1 1 1 5   21 13 o 288.980 23.635 17.909  2.8672 15.366  4.0267  20.523  4.0835 264.977 36.883 308.031 31.759 -43.05396      48.67284 
1 1 1 5   21 14 o 341.555 31.292 25.181  4.4759 25.181  4.4759  0.0000  0.0000 341.555 31.292 ?       ?      0.000000       31.29185 
1 1 1 5   21 15 o 574.875 32.102 71.089  7.7842 0.0000  0.0000  71.089  7.7842 ?       ?      574.875 32.102 0.000000       32.10209 
1 1 1 5   21 16 o 628.610 32.835 85.230  8.7106 0.0000  0.0000  85.230  8.7106 ?       ?      628.610 32.835 0.000000       32.83451 
1 1 1 5   21 17 o 300.786 23.861 19.472  3.0144 13.464  4.0731  26.747  4.4823 245.576 40.582 351.228 30.436 -105.6523      50.72712 
1 1 1 5   21 18 o 721.158 22.848 111.348 6.9778 109.838 9.6139  113.029 10.144 712.555 31.859 722.194 33.166 -9.638428      45.98908 
1 1 1 5   21 19 o 369.761 23.821 29.464  3.7103 24.846  5.1241  34.553  5.3795 335.343 36.680 397.795 32.210 -62.45282      48.81462 
1 1 1 5   21 20 o 370.451 24.559 29.662  3.8310 28.566  5.0824  31.104  5.8300 360.305 33.700 374.568 37.247 -14.26334      50.22940 
1 1 1 5   21 21 o 224.880 27.247 11.123  2.5419 7.9043  3.5309  14.586  3.6622 183.438 45.637 255.245 34.786 -71.80746      57.38335 
1 1 1 5   21 22 o 215.649 28.501 10.317  2.5391 10.698  3.3848  9.8256  3.8398 215.918 38.425 203.801 45.626 12.11754       59.65086 
1 1 1 5   21 23 o 159.184 43.936 6.0044  3.0588 6.0044  3.0588  0.0000  0.0000 159.184 43.936 ?       ?      0.000000       43.93576 
1 1 1 5   21 24 o 79.325  35.485 -0.7492 2.4468 0.0000  0.0000  -0.7492 2.4468 ?       ?      79.325  35.485 0.000000       35.48483 
1 1 1 5   21 25 o 206.122 23.871 9.3863  2.0452 7.4082  3.2099  10.738  2.6535 175.045 43.494 218.420 29.436 -43.37442      52.51840 
1 1 1 5   22 0  o 284.969 18.787 17.331  2.2546 16.607  3.2102  18.036  3.1671 277.632 27.673 289.703 26.094 -12.07108      38.03532 
1 1 1 5   22 1  o 232.188 20.935 11.556  2.0364 13.115  2.9464  10.129  2.8177 246.261 28.796 215.415 31.847 30.84607       42.93534 
1 1 1 5   22 2  o 629.479 25.939 84.415  6.9147 84.415  6.9147  0.0000  0.0000 629.479 25.939 ?       ?      0.000000       25.93860 
1 1 1 5   22 3  o 668.619 26.507 95.229  7.5056 95.229  7.5056  0.0000  0.0000 668.619 26.507 ?       ?      0.000000       26.50703 
1 1 1 5   22 4  o 99.956  28.835 2.1752  1.2881 3.2951  1.6878  0.6131  1.9933 122.058 32.190 85.841  34.927 36.21729       47.49863 
1 1 1 5   22 5  o 255.014 31.364 14.080  3.3157 0.0000  0.0000  14.080  3.3157 ?       ?      255.014 31.364 0.000000       31.36352 
1 1 1 5   22 6  o 439.397 19.492 41.003  3.6271 37.458  5.0567  44.759  5.2054 418.287 28.720 457.684 26.976 -39.39618      39.40209 
1 1 1 5   22 7  o 210.424 23.582 9.5335  2.0653 10.369  2.8529  8.6138  2.9938 218.180 31.813 197.478 37.162 20.70195       48.91907 
1 1 1 5   22 8  o 539.374 20.030 61.808  4.5752 55.599  6.2289  69.083  6.7423 509.830 28.969 569.334 27.964 -59.50449      40.26399 
1 1 1 5   22 9  o 411.419 20.893 36.072  3.6283 34.171  4.9485  38.281  5.3357 399.118 29.486 422.465 30.019 -23.34683      42.07798 
1 1 1 5   22 10 f 828.335 21.527 145.934 7.5516 126.794 10.296  168.214 11.109 770.147 31.569 887.584 29.555 -117.4370      43.24468 
1 1 1 5   22 11 o 519.612 21.004 57.432  4.6219 54.188  6.3135  61.178  6.7845 502.712 29.789 534.183 30.113 -31.47107      42.35757 
1 1 1 5   22 12 o 463.810 21.286 45.778  4.1809 44.235  5.7829  47.468  6.0518 453.798 30.264 470.095 30.565 -16.29608      43.01319 
1 1 1 5   22 13 o 824.474 22.334 144.756 7.7981 160.826 10.813  127.340 11.257 867.224 29.443 770.266 34.508 96.95721       45.36169 
1 1 1 5   22 14 o 296.826 33.637 19.140  4.1537 19.140  4.1537  0.0000  0.0000 296.826 33.637 ?       ?      0.000000       33.63741 
1 1 1 5   22 15 o 664.109 31.957 94.679  8.9878 0.0000  0.0000  94.679  8.9878 ?       ?      664.109 31.957 0.000000       31.95724 
1 1 1 5   22 16 o 524.771 21.902 58.770  4.8674 54.263  6.6127  64.099  7.1906 501.287 31.306 544.984 31.287 -43.69775      44.25962 
1 1 1 5   22 17 o 749.381 22.679 120.113 7.1974 109.434 9.8446  132.376 10.549 711.469 32.674 782.917 31.817 -71.44806      45.60570 
1 1 1 5   22 18 o 388.236 22.980 32.410  3.7615 34.666  5.2247  29.982  5.4196 399.080 31.161 369.622 35.042 29.45773       46.89322 
1 1 1 5   22 19 o 442.618 22.949 42.148  4.2869 40.752  5.8882  43.723  6.2533 431.824 32.435 447.012 33.271 -15.18784      46.46518 
1 1 1 5   22 20 o 337.432 25.641 24.712  3.6367 22.198  4.8030  28.090  5.5676 315.717 36.602 355.134 37.591 -39.41638      52.46665 
1 1 1 5   22 21 f 232.875 28.315 11.976  2.7349 10.168  3.5482  14.622  4.2928 209.536 41.454 252.199 41.647 -42.66333      58.76204 
1 1 1 5   22 22 o 331.029 35.399 24.614  4.8855 24.614  4.8855  0.0000  0.0000 331.029 35.399 ?       ?      0.000000       35.39868 
1 1 1 5   22 23 o 137.619 44.206 4.3649  2.9219 0.0000  0.0000  4.3649  2.9219 ?       ?      137.619 44.206 0.000000       44.20554 
1 1 1 5   22 24 o 129.590 45.000 3.7513  3.0198 0.0000  0.0000  3.7513  3.0198 ?       ?      129.590 45.000 0.000000       45.00022 
1 1 1 5   22 25 o 128.944 36.928 3.8941  2.1195 0.6657  2.8121  8.1397  3.2249 96.016  40.475 184.020 42.271 -88.00397      58.52451 
1 1 1 5   23 0  o 583.417 17.751 72.283  4.3858 66.411  5.9870  79.083  6.4429 558.381 25.318 609.378 24.966 -50.99762      35.55729 
1 1 1 5   23 1  o 380.013 18.813 30.674  3.0276 31.801  4.1562  29.400  4.4192 385.584 25.598 370.230 28.402 15.35416       38.23533 
1 1 1 5   23 2  o 1028.56 29.075 225.621 12.665 225.621 12.665  0.0000  0.0000 1028.56 29.075 ?       ?      0.000000       29.07503 
1 1 1 5   23 3  o 581.534 18.888 71.818  4.6517 67.014  6.4386  77.063  6.7279 560.881 27.107 601.561 26.409 -40.68024      37.84487 
1 1 1 5   23 4  o 409.483 27.396 35.875  4.7235 0.0000  0.0000  35.875  4.7235 ?       ?      409.483 27.396 0.000000       27.39635 
1 1 1 5   23 5  o 554.004 19.222 65.180  4.5098 66.637  6.2694  63.617  6.4921 559.429 26.463 545.689 28.189 13.74011       38.66397 
1 1 1 5   23 6  o 671.424 19.944 95.764  5.6708 102.389 7.9219  88.801  8.1212 693.341 26.980 645.293 29.718 48.04791       40.13823 
1 1 1 5   23 7  o 583.430 19.759 72.313  4.8821 66.096  6.7073  79.319  7.1199 556.073 28.579 610.091 27.557 -54.01770      39.70052 
1 1 1 5   23 8  o 762.940 20.618 123.718 6.6618 118.912 9.2109  128.989 9.6466 746.576 29.133 777.533 29.296 -30.95715      41.31575 
1 1 1 5   23 9  o 648.032 20.585 89.281  5.6493 92.945  7.7854  85.207  8.2100 660.091 27.851 631.517 30.698 28.57306       41.44945 
1 1 1 5   23 10 o 834.120 21.408 148.018 7.5621 142.217 10.388  154.558 11.030 815.752 30.069 850.260 30.632 -34.50812      42.92427 
1 1 1 5   23 11 o 329.679 22.297 23.243  3.0948 19.759  4.1491  27.613  4.6463 301.952 32.984 357.951 30.955 -55.99823      45.23417 
1 1 1 5   23 12 o 590.757 21.206 74.280  5.3053 77.684  7.2964  70.462  7.7277 602.875 28.579 572.636 31.994 30.23859       42.89928 
1 1 1 5   23 13 o 494.369 30.005 52.489  6.2521 52.489  6.2521  0.0000  0.0000 494.369 30.005 ?       ?      0.000000       30.00491 
1 1 1 5   23 14 o 155.120 40.640 5.3913  2.7018 5.3913  2.7018  0.0000  0.0000 155.120 40.640 ?       ?      0.000000       40.64022 
1 1 1 5   23 15 f 283.783 36.031 17.643  4.2326 0.0000  0.0000  17.643  4.2326 ?       ?      283.783 36.031 0.000000       36.03076 
1 1 1 5   23 16 o 454.144 22.586 44.075  4.3438 40.994  5.9627  47.559  6.3408 434.677 32.630 468.523 32.152 -33.84644      45.80854 
1 1 1 5   23 17 o 382.294 23.218 31.414  3.7412 30.118  5.0671  32.966  5.5471 371.647 32.522 388.406 34.068 -16.75919      47.09906 
1 1 1 5   23 18 o 367.353 23.171 29.058  3.5863 27.871  4.9394  30.381  5.2153 356.681 33.077 372.380 33.427 -15.69910      47.02605 
1 1 1 5   23 19 o 493.726 22.506 52.326  4.7056 54.547  6.4528  49.803  6.8770 500.365 30.599 476.306 34.323 24.05960       45.98261 
1 1 1 5   23 20 o 694.466 23.071 103.889 6.7852 91.593  9.1276  119.076 10.144 645.234 33.519 737.354 32.485 -92.12024      46.67811 
1 1 1 5   23 21 o 231.857 28.263 11.894  2.7177 9.8297  3.5219  14.933  4.2730 205.333 41.920 254.728 41.002 -49.39447      58.63797 
1 1 1 5   23 22 o 162.917 42.281 6.2648  2.9425 6.2648  2.9425  0.0000  0.0000 162.917 42.281 ?       ?      0.000000       42.28111 
1 1 1 5   23 23 o 330.147 36.127 24.818  4.9686 0.0000  0.0000  24.818  4.9686 ?       ?      330.147 36.127 0.000000       36.12702 
1 1 1 5   23 24 o 297.073 25.163 19.470  3.1360 21.570  4.4153  17.332  4.4549 307.576 34.491 272.206 39.823 35.36963       52.68301 
1 1 1 5   24 0  o 568.617 17.877 68.652  4.3049 67.627  5.8147  69.895  6.4040 563.691 24.358 572.809 26.399 -9.118286      35.92000 
1 1 1 5   24 1  o 474.406 18.454 47.793  3.7076 46.769  5.0257  49.016  5.4919 468.008 25.453 478.875 27.193 -10.86636      37.24635 
1 1 1 5   24 2  o 730.127 27.332 113.577 8.4511 0.0000  0.0000  113.577 8.4511 ?       ?      730.127 27.332 0.000000       27.33187 
1 1 1 5   24 3  o 1011.50 29.652 218.192 12.702 0.0000  0.0000  218.192 12.702 ?       ?      1011.50 29.652 0.000000       29.65154 
1 1 1 5   24 4  o 211.822 20.972 9.6272  1.8565 7.4849  2.6068  11.832  2.6446 184.171 34.696 234.138 27.177 -49.96710      44.07277 
1 1 1 5   24 5  o 812.239 20.087 140.161 6.9095 150.500 9.6677  129.367 9.8787 840.505 27.161 778.751 29.954 61.75372       40.43447 
1 1 1 5   24 6  o 827.733 20.416 145.594 7.1565 127.384 9.9178  165.375 10.337 772.584 30.313 880.852 27.710 -108.2676      41.06976 
1 1 1 5   24 7  o 735.685 20.376 115.030 6.3484 114.754 8.8339  115.325 9.1293 733.512 28.438 735.167 29.323 -1.654785      40.84801 
1 1 1 5   24 8  o 230.601 23.183 11.430  2.2333 10.733  3.0502  12.236  3.2788 221.529 33.564 236.830 33.637 -15.30139      47.51860 
1 1 1 5   24 9  o 678.201 20.565 97.817  5.9065 106.629 8.2164  88.393  8.4968 706.896 27.446 642.896 31.208 64.00024       41.56022 
1 1 1 5   24 10 o 450.380 20.748 43.153  3.9573 41.702  5.4574  44.762  5.7466 440.751 29.407 456.604 29.884 -15.85300      41.92595 
1 1 1 5   24 11 o 702.953 21.087 105.170 6.2776 103.464 8.6524  107.066 9.1219 695.559 29.374 707.303 30.454 -11.74408      42.31117 
1 1 1 5   24 12 o 447.631 21.399 42.660  4.0566 42.681  5.5511  42.635  5.9426 445.695 29.578 444.969 31.744 0.7262573      43.38838 
1 1 1 5   24 13 o 413.609 30.533 36.837  5.3103 36.837  5.3103  0.0000  0.0000 413.609 30.533 ?       ?      0.000000       30.53264 
1 1 1 5   24 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   24 15 o 305.312 23.901 20.044  3.0657 18.635  4.1466  21.742  4.5528 291.961 34.185 315.527 34.642 -23.56638      48.66861 
1 1 1 5   24 16 o 218.631 27.649 10.431  2.5028 9.6885  3.3862  11.324  3.7155 207.392 40.005 224.459 40.581 -17.06749      56.98440 
1 1 1 5   24 17 o 377.776 23.135 30.703  3.6835 31.894  5.0324  29.328  5.4061 382.600 31.334 365.359 35.383 17.24121       47.26272 
1 1 1 5   24 18 o 318.155 23.960 21.869  3.2045 24.418  4.4550  19.137  4.6128 333.814 31.902 293.014 38.073 40.80066       49.67235 
1 1 1 5   24 19 o 228.911 26.817 11.473  2.5504 10.724  3.4910  12.330  3.7349 217.215 39.402 233.362 39.181 -16.14742      55.56673 
1 1 1 5   24 20 o 183.813 33.413 7.6434  2.5051 7.2878  3.2124  8.1954  4.0018 176.385 43.321 185.333 49.885 -8.947235      66.06972 
1 1 1 5   24 21 o 272.358 35.419 16.747  3.9886 16.747  3.9886  0.0000  0.0000 272.358 35.419 ?       ?      0.000000       35.41898 
1 1 1 5   24 22 o 210.441 31.201 9.9701  2.6964 8.3278  3.6338  11.982  4.0222 186.088 46.298 225.300 43.733 -39.21124      63.68778 
1 1 1 5   24 23 o 423.596 36.857 40.995  6.5459 0.0000  0.0000  40.995  6.5459 ?       ?      423.596 36.857 0.000000       36.85743 
1 1 1 5   24 24 o 202.185 30.427 9.2827  2.5246 6.3081  3.5074  12.481  3.6366 160.080 47.962 230.765 38.574 -70.68539      61.54924 
1 1 1 5   25 0  o 610.409 18.729 79.131  4.8415 0.0000  0.0000  79.131  4.8415 ?       ?      610.409 18.729 0.000000       18.72899 
1 1 1 5   25 1  o 828.281 27.875 146.214 9.7779 0.0000  0.0000  146.214 9.7779 ?       ?      828.281 27.875 0.000000       27.87550 
1 1 1 5   25 2  o 1024.00 21.056 222.855 9.1312 0.0000  0.0000  222.855 9.1312 ?       ?      1024.00 21.056 0.000000       21.05636 
1 1 1 5   25 3  o 553.111 18.757 64.971  4.3936 68.928  6.2121  61.011  6.2147 568.959 25.782 534.379 27.555 34.57996       37.73616 
1 1 1 5   25 4  o 283.886 20.280 17.211  2.4221 16.749  3.3924  17.692  3.4593 278.750 29.169 286.614 28.894 -7.864594      41.05735 
1 1 1 5   25 5  o 1266.51 22.875 341.213 12.269 346.748 17.164  335.431 17.544 1274.01 31.813 1252.60 33.073 21.41077       45.89031 
1 1 1 5   25 6  o 201.054 23.903 8.7236  1.9953 10.366  2.7939  7.0138  2.8506 218.158 31.124 177.393 39.006 40.76491       49.90167 
1 1 1 5   25 7  o 983.229 21.346 205.605 8.8882 191.990 12.358  220.195 12.793 947.872 30.786 1015.42 29.749 -67.54517      42.81126 
1 1 1 5   25 8  o 878.907 21.112 164.322 7.8582 157.886 10.940  171.182 11.295 859.505 30.055 895.032 29.800 -35.52759      42.32403 
1 1 1 5   25 9  o 289.445 22.122 17.938  2.6912 14.027  3.7274  22.196  3.8895 253.221 35.753 321.022 28.921 -67.80009      45.98603 
1 1 1 5   25 10 o 539.050 20.696 61.834  4.7245 65.262  6.5227  58.050  6.8523 551.973 27.996 519.742 31.278 32.23071       41.97676 
1 1 1 5   25 11 o 349.386 21.767 26.095  3.2047 23.401  4.3137  29.412  4.7873 329.060 31.334 369.326 30.892 -40.26663      44.00138 
1 1 1 5   25 12 o 395.370 29.153 33.625  4.8469 33.625  4.8469  0.0000  0.0000 395.370 29.153 ?       ?      0.000000       29.15323 
1 1 1 5   25 13 o 562.902 31.201 68.166  7.4088 0.0000  0.0000  68.166  7.4088 ?       ?      562.902 31.201 0.000000       31.20125 
1 1 1 5   25 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   25 15 o 323.099 23.859 22.456  3.2415 29.418  4.4371  14.488  4.7468 368.877 28.628 253.162 45.968 115.7151       54.15343 
1 1 1 5   25 16 o 361.343 23.203 28.083  3.5319 25.315  4.7114  31.634  5.3367 340.230 33.119 380.539 33.455 -40.30911      47.07542 
1 1 1 5   25 17 o 356.274 23.299 27.351  3.4960 26.298  4.7364  28.612  5.1817 346.433 32.669 360.861 34.320 -14.42725      47.38327 
1 1 1 5   25 18 o 251.224 25.821 13.744  2.7080 19.464  3.8158  7.9388  3.8439 297.898 30.685 184.381 48.557 113.5169       57.43985 
1 1 1 5   25 19 o 184.147 30.775 7.5781  2.3153 6.1708  3.0543  9.4790  3.5499 162.949 43.461 202.371 42.760 -39.42290      60.96998 
1 1 1 5   25 20 f 524.888 22.803 59.526  5.0689 54.536  6.8037  65.751  7.5990 496.367 32.547 544.803 33.093 -48.43591      46.41590 
1 1 1 5   25 21 o 204.085 40.041 9.6949  3.3371 9.6949  3.3371  0.0000  0.0000 204.085 40.041 ?       ?      0.000000       40.04118 
1 1 1 5   25 22 o 232.409 47.899 13.063  4.5576 0.0000  0.0000  13.063  4.5576 ?       ?      232.409 47.899 0.000000       47.89946 
1 1 1 5   25 23 o 242.096 27.484 13.085  2.7679 14.076  3.6270  11.703  4.2832 247.062 35.701 218.140 47.694 28.92172       59.57605 
1 1 1 5   25 24 o 203.508 30.246 9.4054  2.5274 10.696  3.3050  7.5879  3.9225 213.441 37.954 173.794 50.371 39.64784       63.06998 
1 1 1 5   26 0  o 521.497 25.747 57.916  5.6863 0.0000  0.0000  57.916  5.6863 ?       ?      521.497 25.747 0.000000       25.74722 
1 1 1 5   26 1  o 627.621 15.002 83.571  3.9875 78.162  6.5157  86.809  5.0420 605.875 25.394 639.330 18.622 -33.45538      31.49059 
1 1 1 5   26 2  o 630.640 15.542 84.390  4.1507 86.660  6.8383  83.065  5.2229 637.963 25.311 625.271 19.724 12.69177       32.08867 
1 1 1 5   26 3  o 264.761 18.049 14.954  2.0116 13.545  3.2718  15.811  2.5507 249.882 31.626 271.748 22.363 -21.86688      38.73381 
1 1 1 5   26 4  o 763.145 19.401 123.742 6.2702 128.958 8.7803  118.314 8.9572 777.883 26.653 744.765 28.399 33.11792       38.94785 
1 1 1 5   26 5  o 342.358 19.377 24.985  2.7979 22.989  3.8232  27.288  4.1056 327.139 27.862 356.698 27.388 -29.55951      39.06887 
1 1 1 5   26 6  o 289.047 20.499 17.853  2.4930 19.285  3.5480  16.456  3.5036 299.296 28.330 275.874 30.499 23.42191       41.62642 
1 1 1 5   26 7  o 500.460 19.745 53.251  4.1847 52.078  5.8193  54.507  6.0220 493.133 27.981 504.469 28.302 -11.33630      39.79867 
1 1 1 5   26 8  o 541.111 19.837 62.271  4.5458 63.838  6.2878  60.556  6.5796 546.834 27.152 531.443 29.348 15.39166       39.98182 
1 1 1 5   26 9  f 191.952 26.782 8.0154  2.1178 11.018  3.0118  5.0791  2.9786 224.457 32.641 151.520 43.889 72.93643       54.69604 
1 1 1 5   26 10 o 814.344 21.171 141.190 7.3012 140.285 10.127  142.170 10.536 809.642 29.536 814.768 30.535 -5.126404      42.48233 
1 1 1 5   26 11 o 892.808 30.090 170.698 11.377 170.698 11.377  0.0000  0.0000 892.808 30.090 ?       ?      0.000000       30.08987 
1 1 1 5   26 12 o 593.781 20.969 75.089  5.2729 78.290  7.2809  71.558  7.6464 604.850 28.425 576.766 31.423 28.08386       42.37209 
1 1 1 5   26 13 o 401.366 32.100 34.839  5.4106 0.0000  0.0000  34.839  5.4106 ?       ?      401.366 32.100 0.000000       32.10040 
1 1 1 5   26 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   26 15 o 388.572 23.059 32.432  3.7775 31.922  5.2447  32.982  5.4452 382.775 32.667 388.876 33.388 -6.101471      46.71082 
1 1 1 5   26 16 o 863.643 22.666 159.867 8.2899 153.899 11.285  166.863 12.218 842.563 31.627 876.487 32.915 -33.92334      45.64763 
1 1 1 5   26 17 o 293.088 23.332 18.564  2.8720 18.933  3.8624  18.108  4.2952 293.599 31.560 285.403 36.363 8.196136       48.14892 
1 1 1 5   26 18 o 99.633  34.915 1.9624  1.8199 2.0678  2.4937  1.8423  2.6619 108.307 40.449 107.659 41.427 0.6481705      57.89977 
1 1 1 5   26 19 o 112.572 36.160 2.7685  1.9551 0.8029  2.5241  5.7169  3.0914 94.698  39.004 156.533 44.518 -61.83538      59.18792 
1 1 1 5   26 20 o 160.547 42.773 6.0850  2.9605 6.0850  2.9605  0.0000  0.0000 160.547 42.773 ?       ?      0.000000       42.77311 
1 1 1 5   26 21 o 293.653 26.240 18.965  3.2288 20.255  4.1905  17.081  5.0655 300.123 33.544 268.516 46.213 31.60712       57.10349 
1 1 1 5   26 22 o 229.118 46.797 12.738  4.3872 0.0000  0.0000  12.738  4.3872 ?       ?      229.118 46.797 0.000000       46.79707 
1 1 1 5   26 23 o 331.895 24.596 24.278  3.4324 21.750  4.5910  27.481  5.1684 307.336 35.953 345.930 35.798 -38.59320      50.73586 
1 1 1 5   27 0  o 396.175 14.809 33.300  2.4846 33.750  4.1050  33.040  3.1212 397.418 24.510 394.393 18.688 3.025208       30.82142 
1 1 1 5   27 1  o 467.989 17.631 46.507  3.4943 49.279  4.7993  43.380  5.0974 481.199 23.551 450.358 26.849 30.84024       35.71445 
1 1 1 5   27 2  o 208.696 19.838 9.3388  1.7322 12.325  2.7687  7.4183  2.2204 238.808 27.903 184.191 29.458 54.61717       40.57561 
1 1 1 5   27 3  f 173.892 21.505 6.5276  1.5499 9.0690  2.4233  4.7683  2.0163 204.185 28.826 146.433 33.270 57.75175       44.02076 
1 1 1 5   27 4  o 688.295 16.196 100.573 4.7208 115.552 7.9252  92.335  5.8773 736.391 25.413 658.917 21.062 77.47455       33.00670 
1 1 1 5   27 5  o 393.548 18.870 32.915  3.1449 30.983  4.3122  35.110  4.5967 380.170 26.959 404.819 26.967 -24.64902      38.13126 
1 1 1 5   27 6  o 506.218 19.134 54.475  4.1020 53.314  5.7272  55.699  5.8779 499.068 27.201 510.121 27.308 -11.05301      38.54331 
1 1 1 5   27 7  o 480.844 19.693 49.174  4.0101 52.279  5.5982  45.901  5.7470 494.154 26.852 462.396 29.502 31.75885       39.89264 
1 1 1 5   27 8  o 467.932 19.988 46.584  3.9609 42.731  5.5036  50.725  5.7049 446.018 29.300 486.438 27.809 -40.41959      40.39587 
1 1 1 5   27 9  o 872.796 21.174 162.201 7.8264 167.046 10.919  157.082 11.224 883.536 29.182 856.222 30.953 27.31421       42.54044 
1 1 1 5   27 10 f 323.839 30.965 22.674  4.1949 22.674  4.1949  0.0000  0.0000 323.839 30.965 ?       ?      0.000000       30.96541 
1 1 1 5   27 11 o 468.936 28.956 47.251  5.7223 47.251  5.7223  0.0000  0.0000 468.936 28.956 ?       ?      0.000000       28.95611 
1 1 1 5   27 12 o 550.976 30.900 65.353  7.1810 0.0000  0.0000  65.353  7.1810 ?       ?      550.976 30.900 0.000000       30.90041 
1 1 1 5   27 13 o 360.039 22.020 27.769  3.3413 26.780  4.6149  28.860  4.8439 351.455 31.335 364.860 31.663 -13.40451      44.54718 
1 1 1 5   27 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   27 15 o 540.939 21.891 62.637  5.0148 57.924  6.8872  67.954  7.3162 516.258 31.654 559.606 30.992 -43.34784      44.30037 
1 1 1 5   27 16 o 249.936 27.259 13.631  2.8385 12.375  3.8061  15.204  4.2608 234.142 39.809 260.015 39.974 -25.87335      56.41555 
1 1 1 5   27 17 f 130.654 35.513 3.8683  2.0164 6.9057  2.7430  0.2972  2.9742 173.858 38.290 97.442  41.380 76.41541       56.37802 
1 1 1 5   27 18 o 122.020 34.775 3.3643  1.8843 5.1407  2.4775  0.9268  2.9021 149.428 38.805 101.432 41.806 47.99557       57.04009 
1 1 1 5   27 19 o 392.487 22.975 33.408  3.8022 34.359  5.1362  32.254  5.6555 394.290 31.010 379.442 35.611 14.84811       47.22055 
1 1 1 5   27 20 o 393.655 31.532 34.447  5.2126 34.447  5.2126  0.0000  0.0000 393.655 31.532 ?       ?      0.000000       31.53247 
1 1 1 5   27 21 o 330.043 38.920 25.029  5.3352 0.0000  0.0000  25.029  5.3352 ?       ?      330.043 38.920 0.000000       38.91993 
1 1 1 5   27 22 o 98.380  36.524 1.8384  2.0272 0.2934  2.4777  4.9671  3.5258 87.860  37.550 144.637 48.667 -56.77648      61.46907 
1 1 1 5   27 23 o 258.393 27.439 14.930  2.9566 15.708  3.9657  13.956  4.4363 259.690 37.115 239.315 45.435 20.37488       58.66724 
1 1 1 5   28 0  f 303.147 15.705 19.558  2.0093 24.182  3.2370  16.659  2.5628 336.319 22.863 278.999 21.865 57.32004       31.63553 
1 1 1 5   28 1  o 350.301 18.564 26.144  2.7441 27.865  3.7610  24.184  4.0127 360.844 24.762 335.436 28.518 25.40839       37.76793 
1 1 1 5   28 2  o 518.760 15.399 57.119  3.3830 60.874  5.5091  54.845  4.2863 534.594 24.334 507.926 19.927 26.66763       31.45180 
1 1 1 5   28 3  o 216.956 19.422 10.085  1.7656 11.335  2.9088  9.3552  2.2217 228.239 30.887 207.924 25.784 20.31485       40.23502 
1 1 1 5   28 4  o 427.324 16.641 38.781  3.0114 45.598  4.9846  34.862  3.7790 461.739 25.591 404.099 22.167 57.63968       33.85681 
1 1 1 5   28 5  o 444.140 16.547 41.897  3.1123 41.978  5.1344  41.849  3.9131 442.546 27.532 443.492 20.835 -0.9463196     34.52718 
1 1 1 5   28 6  o 315.879 20.830 21.326  2.7709 23.908  3.8844  18.652  3.9537 333.395 27.765 293.283 32.372 40.11169       42.64786 
1 1 1 5   28 7  o 175.199 26.902 6.7047  1.9322 6.4323  2.6852  6.9971  2.7825 169.518 38.306 176.921 38.251 -7.402969      54.13408 
1 1 1 5   28 8  o 622.020 19.961 82.340  5.2581 77.294  7.2755  87.858  7.6077 601.074 28.582 640.960 28.027 -39.88641      40.03061 
1 1 1 5   28 9  o 424.905 28.401 38.798  5.0812 38.798  5.0812  0.0000  0.0000 424.905 28.401 ?       ?      0.000000       28.40112 
1 1 1 5   28 10 o 296.777 31.469 19.099  3.8947 19.099  3.8947  0.0000  0.0000 296.777 31.469 ?       ?      0.000000       31.46878 
1 1 1 5   28 11 o 732.222 30.418 115.017 9.4324 0.0000  0.0000  115.017 9.4324 ?       ?      732.222 30.418 0.000000       30.41845 
1 1 1 5   28 12 o 468.229 21.054 46.752  4.1748 44.660  5.7098  49.154  6.1197 455.106 29.790 477.360 30.431 -22.25403      42.58456 
1 1 1 5   28 13 o 856.656 22.094 156.817 8.0153 164.106 11.109  148.900 11.577 872.973 30.048 830.156 32.929 42.81769       44.57811 
1 1 1 5   28 14 o 218.948 40.025 10.802  3.5744 0.0000  0.0000  10.802  3.5744 ?       ?      218.948 40.025 0.000000       40.02492 
1 1 1 5   28 15 o 188.347 31.482 7.8891  2.4225 11.332  3.4248  4.4418  3.4270 224.781 37.285 143.575 47.981 81.20657       60.76477 
1 1 1 5   28 16 o 287.759 24.938 17.963  3.0090 13.830  4.1609  22.494  4.3565 246.926 41.245 319.720 32.632 -72.79494      52.59338 
1 1 1 5   28 17 o 130.283 38.596 3.8292  2.2808 4.9265  3.1965  2.6912  3.2554 147.481 46.100 122.623 46.133 24.85832       65.21857 
1 1 1 5   28 18 o 51.871  24.824 -2.0834 1.5486 -3.5664 2.3429  -0.9329 2.0637 61.446  29.692 71.446  32.222 -9.999790      43.81605 
1 1 1 5   28 19 o 260.836 34.412 15.361  3.7084 15.361  3.7084  0.0000  0.0000 260.836 34.412 ?       ?      0.000000       34.41157 
1 1 1 5   28 20 o 208.836 28.012 9.7223  2.4150 10.689  3.1286  8.2972  3.7987 216.111 35.411 184.815 48.078 31.29579       59.71099 
1 1 1 5   28 21 o 142.990 47.613 4.7992  3.3753 0.0000  0.0000  4.7992  3.3753 ?       ?      142.990 47.613 0.000000       47.61345 
1 1 1 5   28 22 o 247.008 28.068 13.687  2.8839 14.035  3.7330  13.172  4.5418 245.290 37.095 230.595 48.066 14.69565       60.71599 
1 1 1 5   28 23 o 110.887 37.425 2.7366  2.0851 4.2185  2.7512  0.7365  3.1962 133.393 42.899 100.857 42.865 32.53559       60.64453 
1 1 1 5   29 0  o 710.974 14.841 107.282 4.4686 109.697 7.3148  105.845 5.6442 717.578 24.071 705.688 18.886 11.88947       30.59576 
1 1 1 5   29 1  o 397.029 17.850 33.492  3.0013 32.433  4.0526  34.778  4.4666 389.328 24.707 402.940 26.320 -13.61209      36.09985 
1 1 1 5   29 2  o 1095.99 17.094 255.162 7.9339 250.816 13.157  257.646 9.9456 1083.48 28.674 1100.33 21.343 -16.84766      35.74585 
1 1 1 5   29 3  o 137.538 26.419 4.1707  1.4829 5.1735  2.4456  3.5877  1.8647 152.130 38.056 127.144 33.981 24.98611       51.01899 
1 1 1 5   29 4  o 902.945 16.731 173.204 6.3977 170.950 10.639  174.480 8.0074 894.399 28.088 905.442 20.883 -11.04272      35.00002 
1 1 1 5   29 5  o 254.122 19.598 13.818  2.0928 10.448  3.4113  15.852  2.6501 217.119 38.511 271.749 23.252 -54.62991      44.98587 
1 1 1 5   29 6  o 187.957 25.522 7.6764  1.9790 8.9901  2.7082  6.1711  2.8989 202.221 32.743 165.744 41.418 36.47656       52.79671 
1 1 1 5   29 7  o 234.358 23.716 11.832  2.3214 12.877  3.2086  10.684  3.3627 242.993 31.955 219.723 37.483 23.27042       49.25523 
1 1 1 5   29 8  o 93.537  35.941 1.2757  2.0017 1.2757  2.0017  0.0000  0.0000 93.537  35.941 ?       ?      0.000000       35.94113 
1 1 1 5   29 9  o 487.929 27.833 51.103  5.7275 51.103  5.7275  0.0000  0.0000 487.929 27.833 ?       ?      0.000000       27.83345 
1 1 1 5   29 10 o 347.272 30.921 26.080  4.4999 0.0000  0.0000  26.080  4.4999 ?       ?      347.272 30.921 0.000000       30.92125 
1 1 1 5   29 11 o 644.295 29.909 89.137  8.1609 0.0000  0.0000  89.137  8.1609 ?       ?      644.295 29.909 0.000000       29.90947 
1 1 1 5   29 12 o 197.467 27.266 8.5194  2.2193 6.1759  3.0302  11.231  3.2594 164.998 42.948 225.233 35.334 -60.23468      55.61494 
1 1 1 5   29 13 o 205.784 29.143 9.2986  2.4687 10.094  3.5344  8.5405  3.4498 211.319 40.973 193.481 43.196 17.83763       59.53696 
1 1 1 5   29 14 o 257.347 37.586 14.775  3.9755 0.0000  0.0000  14.775  3.9755 ?       ?      257.347 37.586 0.000000       37.58608 
1 1 1 5   29 15 o 602.175 21.750 77.773  5.5466 72.492  7.6439  83.647  8.0609 576.604 31.422 620.599 30.671 -43.99506      43.90974 
1 1 1 5   29 16 o 653.821 22.023 91.830  6.0979 98.206  8.3758  84.639  8.8949 672.385 29.415 620.787 33.963 51.59711       44.92999 
1 1 1 5   29 17 o 568.018 22.008 69.445  5.2940 69.430  7.2589  69.462  7.7379 562.990 30.560 561.791 32.665 1.198364       44.73169 
1 1 1 5   29 18 o 161.615 34.851 6.0050  2.3151 6.6223  3.1628  5.2924  3.3980 167.262 44.043 150.767 47.592 16.49545       64.84418 
1 1 1 5   29 19 o 180.441 39.143 7.6233  2.9050 7.6233  2.9050  0.0000  0.0000 180.441 39.143 ?       ?      0.000000       39.14252 
1 1 1 5   29 20 o 357.190 36.401 29.040  5.4293 0.0000  0.0000  29.040  5.4293 ?       ?      357.190 36.401 0.000000       36.40083 
1 1 1 5   29 21 o 63.200  28.745 -0.8761 1.6845 -1.4085 2.1358  0.0000  2.7399 68.602  31.634 89.298  38.832 -20.69530      50.08671 
1 1 1 5   29 22 o 209.706 28.722 9.9515  2.4837 10.178  3.2930  9.6523  3.7827 206.854 39.022 197.260 46.109 9.593628       60.40458 
1 1 1 5   30 0  o 573.505 14.539 69.815  3.5311 67.508  5.6720  71.275  4.5121 562.796 23.798 579.044 18.400 -16.24780      30.08191 
1 1 1 5   30 1  o 682.071 18.095 98.887  5.2266 101.603 7.0749  95.624  7.7550 690.330 24.200 669.073 27.369 21.25659       36.53406 
1 1 1 5   30 2  o 562.382 15.267 67.157  3.6361 68.690  5.9141  66.226  4.6105 567.497 24.608 557.975 19.511 9.522095       31.40477 
1 1 1 5   30 3  o 312.679 16.961 20.836  2.2376 16.882  3.4773  23.630  2.9231 279.287 29.863 332.527 20.863 -53.23935      36.42886 
1 1 1 5   30 4  o 673.993 16.143 96.507  4.6078 96.322  7.5254  96.618  5.8279 671.483 26.464 673.713 20.427 -2.229553      33.43019 
1 1 1 5   30 5  o 435.858 16.852 40.375  3.1106 37.962  5.0317  41.867  3.9574 420.272 28.438 443.379 21.076 -23.10727      35.39701 
1 1 1 5   30 6  o 357.731 17.772 27.212  2.6924 27.779  4.3276  26.854  3.4389 359.112 28.696 354.126 23.057 4.986359       36.81096 
1 1 1 5   30 7  o 636.890 27.143 86.758  7.3209 86.758  7.3209  0.0000  0.0000 636.890 27.143 ?       ?      0.000000       27.14282 
1 1 1 5   30 8  o 437.589 28.208 41.160  5.1994 41.160  5.1994  0.0000  0.0000 437.589 28.208 ?       ?      0.000000       28.20752 
1 1 1 5   30 9  o 188.884 37.495 7.9659  2.8934 0.0000  0.0000  7.9659  2.8934 ?       ?      188.884 37.495 0.000000       37.49479 
1 1 1 5   30 10 o 190.142 40.293 8.1317  3.1437 0.0000  0.0000  8.1317  3.1437 ?       ?      190.142 40.293 0.000000       40.29284 
1 1 1 5   30 11 o 244.942 24.544 12.965  2.5117 7.2346  3.4299  19.592  3.6883 178.219 45.337 300.501 29.358 -122.2818      54.01263 
1 1 1 5   30 12 o 537.939 21.097 61.842  4.8061 56.399  6.7334  67.494  6.8621 510.013 31.327 558.968 29.089 -48.95514      42.74987 
1 1 1 5   30 13 o 211.929 28.243 9.8510  2.4717 10.200  3.6457  9.5542  3.3626 211.682 42.149 205.311 40.113 6.371307       58.18567 
1 1 1 5   30 14 o 291.014 34.726 18.747  4.1952 0.0000  0.0000  18.747  4.1952 ?       ?      291.014 34.726 0.000000       34.72637 
1 1 1 5   30 15 o 395.485 22.838 33.735  3.8088 31.161  5.2819  36.524  5.4973 376.089 33.515 408.022 32.073 -31.93365      46.38858 
1 1 1 5   30 16 o 360.380 32.682 28.663  4.9337 28.663  4.9337  0.0000  0.0000 360.380 32.682 ?       ?      0.000000       32.68241 
1 1 1 5   30 17 o 311.522 24.692 21.151  3.2309 25.154  4.4352  16.626  4.7161 337.032 31.437 268.227 42.968 68.80493       53.24040 
1 1 1 5   30 18 o 298.992 35.146 20.209  4.3653 20.209  4.3653  0.0000  0.0000 298.992 35.146 ?       ?      0.000000       35.14606 
1 1 1 5   30 19 o 204.462 28.050 9.3399  2.3648 9.7371  3.1017  8.7885  3.6545 205.100 37.074 190.800 45.807 14.29979       58.93021 
1 1 1 5   30 20 o 232.126 41.525 12.762  3.9322 0.0000  0.0000  12.762  3.9322 ?       ?      232.126 41.525 0.000000       41.52521 
1 1 1 5   30 21 o 154.276 32.550 5.5487  2.0598 5.3074  2.6870  5.8924  3.2075 147.991 41.302 154.557 45.766 -6.565704      61.64739 
1 1 1 5   30 22 o 223.271 27.418 11.216  2.5380 10.076  3.4748  12.519  3.7159 204.019 41.627 229.202 39.722 -25.18237      57.53807 
1 1 1 5   31 0  o 220.897 18.290 10.446  1.6956 13.431  2.6804  8.4556  2.1893 249.510 25.736 197.152 26.925 52.35806       37.24683 
1 1 1 5   31 1  o 1075.04 20.314 246.015 9.2482 250.832 12.580  240.351 13.642 1083.16 27.426 1059.12 30.414 24.03613       40.95379 
1 1 1 5   31 2  o 221.962 18.808 10.554  1.7514 9.7522  2.6620  11.167  2.3255 211.198 30.659 227.461 24.530 -16.26303      39.26438 
1 1 1 5   31 3  o 335.521 16.547 23.924  2.3512 24.180  3.6831  23.748  3.0546 335.414 26.135 333.143 21.771 2.270721       34.01501 
1 1 1 5   31 4  o 387.110 16.435 31.848  2.6942 32.930  4.3024  31.150  3.4557 391.699 26.086 381.757 21.462 9.941833       33.78015 
1 1 1 5   31 5  o 99.665  38.322 1.4570  2.2766 -2.0520 2.6856  10.416  4.2913 76.912  35.469 214.294 48.427 -137.3824      60.02631 
1 1 1 5   31 6  o 117.085 40.766 2.6798  2.4790 2.6798  2.4790  0.0000  0.0000 117.085 40.766 ?       ?      0.000000       40.76565 
1 1 1 5   31 7  o 458.534 19.918 44.774  3.8678 42.811  5.5204  46.667  5.4209 445.951 29.396 466.128 27.584 -20.17670      40.31104 
1 1 1 5   31 8  o 644.487 28.848 89.043  7.8735 0.0000  0.0000  89.043  7.8735 ?       ?      644.487 28.848 0.000000       28.84762 
1 1 1 5   31 9  o 409.057 32.325 36.235  5.5541 0.0000  0.0000  36.235  5.5541 ?       ?      409.057 32.325 0.000000       32.32504 
1 1 1 5   31 10 o 530.894 20.208 60.118  4.5434 63.183  6.3057  56.809  6.5521 541.891 27.569 512.898 30.300 28.99310       40.96448 
1 1 1 5   31 11 o 230.303 24.983 11.503  2.3975 14.469  3.3806  8.5030  3.4006 256.920 31.746 193.259 42.689 63.66096       53.19974 
1 1 1 5   31 12 o 278.367 23.694 16.740  2.7666 17.238  3.9170  16.245  3.9081 279.730 33.747 271.094 34.848 8.636719       48.51015 
1 1 1 5   31 13 o 396.593 31.452 34.375  5.2391 34.375  5.2391  0.0000  0.0000 396.593 31.452 ?       ?      0.000000       31.45189 
1 1 1 5   31 14 o 141.651 34.989 4.5688  2.0866 6.2243  3.0842  3.1714  2.8336 164.003 43.640 124.547 43.571 39.45578       61.66769 
1 1 1 5   31 15 o 364.009 22.848 28.631  3.5043 32.248  4.9322  24.943  4.9798 383.437 30.630 334.821 35.669 48.61578       47.01565 
1 1 1 5   31 16 o 377.743 23.101 30.907  3.6778 28.463  5.0811  33.596  5.3302 357.828 33.936 389.678 32.599 -31.85013      47.05682 
1 1 1 5   31 17 o 364.883 33.182 29.744  5.0714 29.744  5.0714  0.0000  0.0000 364.883 33.182 ?       ?      0.000000       33.18192 
1 1 1 5   31 18 o 245.587 38.451 13.937  3.8679 13.937  3.8679  0.0000  0.0000 245.587 38.451 ?       ?      0.000000       38.45123 
1 1 1 5   31 19 o 504.341 34.060 57.335  7.2320 0.0000  0.0000  57.335  7.2320 ?       ?      504.341 34.060 0.000000       34.05973 
1 1 1 5   31 20 o 223.679 26.942 11.197  2.5007 12.500  3.3102  9.4657  3.8167 232.637 34.658 195.478 46.738 37.15857       58.18596 
1 1 1 5   31 21 o 236.855 26.080 12.545  2.5726 12.011  3.4095  13.250  3.9202 225.981 36.900 235.051 40.866 -9.069901      55.06007 
1 1 1 5   32 0  o 368.215 15.323 28.802  2.3894 29.363  3.7778  28.428  3.0849 370.116 24.236 364.855 20.042 5.261841       31.44958 
1 1 1 5   32 1  o 552.256 14.999 64.782  3.5078 63.982  5.6254  65.291  4.4871 547.455 24.264 553.879 19.130 -6.423462      30.89786 
1 1 1 5   32 2  o 406.066 15.395 35.031  2.6475 36.985  4.1805  33.724  3.4209 415.597 23.853 397.401 20.395 18.19553       31.38326 
1 1 1 5   32 3  f 589.917 18.466 74.048  4.6132 74.879  6.2902  73.079  6.7860 592.005 25.090 584.338 27.423 7.666626       37.16840 
1 1 1 5   32 4  o 461.064 20.301 45.282  3.9640 45.846  5.0783  44.403  6.3417 462.328 26.043 453.141 33.279 9.186432       42.25845 
1 1 1 5   32 5  o 545.755 26.325 63.708  6.0843 63.708  6.0843  0.0000  0.0000 545.755 26.325 ?       ?      0.000000       26.32522 
1 1 1 5   32 6  o 395.946 20.568 33.493  3.4370 36.776  4.9443  30.424  4.7811 413.331 28.419 375.313 30.340 38.01736       41.57120 
1 1 1 5   32 7  o 781.252 21.701 130.179 7.1800 0.0000  0.0000  130.179 7.1800 ?       ?      781.252 21.701 0.000000       21.70136 
1 1 1 5   32 8  o 457.338 17.342 44.507  3.3587 43.443  5.3604  45.195  4.3096 449.145 28.327 460.149 22.115 -11.00436      35.93752 
1 1 1 5   32 9  o 422.074 20.480 38.011  3.6606 37.567  5.0045  38.522  5.3684 417.193 28.496 421.985 30.241 -4.791626      41.55182 
1 1 1 5   32 10 o 544.218 21.002 63.288  4.8404 56.566  6.6613  70.807  7.0455 510.925 30.932 572.538 29.154 -61.61295      42.50633 
1 1 1 5   32 11 o 283.599 23.437 17.364  2.7897 18.090  4.0711  16.722  3.8302 286.486 34.234 275.523 33.517 10.96347       47.90960 
1 1 1 5   32 12 o 278.261 23.601 16.751  2.7550 17.664  3.9368  15.874  3.8566 282.856 33.517 267.499 34.874 15.35696       48.36920 
1 1 1 5   32 13 o 355.827 31.884 27.807  4.7536 27.807  4.7536  0.0000  0.0000 355.827 31.884 ?       ?      0.000000       31.88364 
1 1 1 5   32 14 o 164.269 33.247 6.1088  2.2335 8.5835  3.2802  3.9697  3.0496 192.855 41.401 135.165 45.262 57.69000       61.34069 
1 1 1 5   32 15 o 260.690 24.685 14.821  2.6928 14.360  3.8533  15.260  3.7645 252.044 37.221 260.894 34.951 -8.850204      51.05799 
1 1 1 5   32 16 o 117.964 35.419 3.1479  1.9113 3.4442  2.8425  2.9033  2.5822 126.510 43.675 118.151 41.578 8.358543       60.30107 
1 1 1 5   32 17 o 93.259  39.965 0.2523  2.8204 0.2523  2.8204  0.0000  0.0000 93.259  39.965 ?       ?      0.000000       39.96546 
1 1 1 5   32 18 o 129.577 43.513 3.7992  2.8186 0.0000  0.0000  3.7992  2.8186 ?       ?      129.577 43.513 0.000000       43.51306 
1 1 1 5   32 19 o 498.639 22.320 54.164  4.7133 53.983  6.2905  54.397  7.1171 491.187 30.390 489.262 34.572 1.925079       46.03019 
1 1 1 5   32 20 o 173.471 30.087 6.9114  2.1302 8.2082  2.9110  5.4165  3.1255 185.347 38.351 148.299 45.459 37.04831       59.47515 
1 1 1 5   32 21 o 137.385 34.001 4.4724  1.9675 3.6460  2.5831  5.6144  3.0366 124.826 41.657 150.504 44.521 -25.67776      60.97078 
1 1 1 5   33 0  o 283.685 17.121 17.176  2.0473 14.863  3.2305  18.729  2.6466 261.616 29.683 295.667 21.279 -34.05087      36.52283 
1 1 1 5   33 1  o 168.805 22.728 6.1872  1.5835 6.1054  2.4492  6.2460  2.0756 165.121 36.038 168.132 30.264 -3.011368      47.05962 
1 1 1 5   33 2  o 235.878 25.288 12.026  2.4867 12.616  3.1297  11.016  4.0951 240.353 31.506 220.953 45.286 19.39984       55.16793 
1 1 1 5   33 3  o 614.906 19.109 80.505  4.9762 87.873  6.5555  70.486  7.6442 641.383 24.135 571.798 31.692 69.58514       39.83550 
1 1 1 5   33 4  o 854.384 19.547 155.468 7.0725 154.749 9.6331  156.308 10.417 850.261 26.753 853.797 28.810 -3.536682      39.31562 
1 1 1 5   33 5  o 223.844 27.175 10.883  2.5232 0.0000  0.0000  10.883  2.5232 ?       ?      223.844 27.175 0.000000       27.17482 
1 1 1 5   33 6  o 983.849 22.299 206.601 9.2910 0.0000  0.0000  206.601 9.2910 ?       ?      983.849 22.299 0.000000       22.29935 
1 1 1 5   33 7  o 528.820 17.522 59.526  3.9241 63.867  6.3158  56.796  5.0081 545.034 27.451 515.592 22.936 29.44214       35.77188 
1 1 1 5   33 8  o 144.370 34.403 4.6877  2.0735 4.4533  3.1852  4.8601  2.7316 143.436 46.162 147.121 41.850 -3.684937      62.30909 
1 1 1 5   33 9  o 694.466 17.518 102.785 5.1521 111.010 8.3204  97.670  6.5614 718.389 27.349 675.409 22.940 42.97998       35.69584 
1 1 1 5   33 10 o 152.238 36.784 5.2605  2.3451 2.2433  3.1567  8.9764  3.5031 117.968 45.181 198.056 42.999 -80.08733      62.37159 
1 1 1 5   33 11 o 404.611 21.185 35.172  3.6174 29.581  5.0863  40.895  5.1459 367.091 33.073 434.052 28.146 -66.96091      43.42855 
1 1 1 5   33 12 o 450.763 20.916 43.579  3.9928 38.984  5.6200  48.262  5.6738 421.790 31.694 470.973 28.582 -49.18198      42.67867 
1 1 1 5   33 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   33 14 o 425.352 21.561 39.024  3.8712 40.079  5.4200  37.925  5.5309 427.402 30.138 414.932 31.716 12.47012       43.75155 
1 1 1 5   33 15 f 206.160 29.018 9.4621  2.4634 8.9084  3.5065  10.002  3.4614 194.515 43.641 207.526 40.840 -13.01094      59.77017 
1 1 1 5   33 16 o 272.171 36.136 16.875  4.0621 16.875  4.0621  0.0000  0.0000 272.171 36.136 ?       ?      0.000000       36.13565 
1 1 1 5   33 17 o 62.151  29.360 -2.1254 2.0297 0.0000  0.0000  -2.1254 2.0297 ?       ?      62.151  29.360 0.000000       29.35958 
1 1 1 5   33 18 o 223.101 40.806 11.776  3.7134 0.0000  0.0000  11.776  3.7134 ?       ?      223.101 40.806 0.000000       40.80633 
1 1 1 5   33 19 o 151.160 32.243 5.3281  2.0011 4.2779  2.7082  6.5908  2.9698 133.930 42.510 164.167 42.414 -30.23726      60.05043 
1 1 1 5   33 20 o 120.594 34.941 3.4351  1.8877 6.0838  2.4623  -0.3406 2.9399 159.156 37.200 88.868  39.376 70.28825       54.16921 
1 1 1 5   33 21 o 140.273 34.979 4.6907  2.0708 3.6756  2.6264  6.3588  3.3667 125.165 42.004 158.717 46.858 -33.55228      62.92864 
1 1 1 5   34 0  o 744.144 18.031 117.854 5.6823 121.835 7.7867  113.318 8.3109 755.028 24.353 727.397 26.979 27.63116       36.34480 
1 1 1 5   34 1  o 302.060 21.116 19.548  2.6841 16.786  3.3778  24.281  4.4214 278.254 29.095 334.600 31.576 -56.34662      42.93658 
1 1 1 5   34 2  o 135.084 29.876 4.0684  1.6638 1.7143  2.3617  6.3877  2.3442 103.703 39.231 169.278 33.883 -65.57456      51.83696 
1 1 1 5   34 3  o 623.786 27.547 83.392  7.2771 0.0000  0.0000  83.392  7.2771 ?       ?      623.786 27.547 0.000000       27.54730 
1 1 1 5   34 4  o 563.932 21.547 67.850  5.1458 0.0000  0.0000  67.850  5.1458 ?       ?      563.932 21.547 0.000000       21.54696 
1 1 1 5   34 5  o 109.068 41.488 1.8761  2.6504 0.0000  0.0000  1.8761  2.6504 ?       ?      109.068 41.488 0.000000       41.48759 
1 1 1 5   34 6  o 467.565 17.257 46.540  3.4171 45.765  5.4058  47.056  4.4099 460.880 27.827 469.329 22.188 -8.449341      35.59002 
1 1 1 5   34 7  o 577.703 16.945 71.069  4.1457 80.964  6.7367  65.038  5.2596 614.295 25.896 551.456 22.522 62.83893       34.31921 
1 1 1 5   34 8  o 282.830 20.932 17.192  2.4893 17.262  3.8969  17.144  3.2355 280.242 33.499 280.929 27.550 -0.6871948     43.37273 
1 1 1 5   34 9  o 222.423 24.269 10.747  2.2489 12.052  3.3426  9.6670  3.0398 232.766 34.992 207.733 35.849 25.03291       50.09594 
1 1 1 5   34 10 o 196.015 26.785 8.4376  2.1653 8.2763  3.2333  8.5688  2.9156 189.975 41.362 194.749 36.698 -4.773895      55.29491 
1 1 1 5   34 11 o 317.713 23.544 21.841  3.1452 18.896  4.1561  25.788  4.8115 291.864 34.277 341.750 33.683 -49.88666      48.05727 
1 1 1 5   34 12 o 429.161 20.720 39.541  3.7657 38.431  5.3183  40.657  5.3327 418.900 30.182 431.291 29.371 -12.39099      42.11427 
1 1 1 5   34 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   34 14 o 139.307 33.382 4.4493  1.9436 -0.0000 2.8783  8.1786  2.6351 92.799  40.077 189.767 34.040 -96.96760      52.58257 
1 1 1 5   34 15 o 98.278  38.610 1.4507  2.3502 1.4507  2.3502  0.0000  0.0000 98.278  38.610 ?       ?      0.000000       38.60987 
1 1 1 5   34 16 o 413.580 22.569 37.276  3.9380 36.434  5.4853  38.172  5.6569 402.882 32.424 412.254 32.670 -9.372742      46.02872 
1 1 1 5   34 17 o 284.105 36.569 18.572  4.2977 0.0000  0.0000  18.572  4.2977 ?       ?      284.105 36.569 0.000000       36.56924 
1 1 1 5   34 18 o 153.655 35.644 5.5791  2.2745 4.4855  3.1837  6.7192  3.2506 137.698 46.245 165.027 45.187 -27.32874      64.65677 
1 1 1 5   34 19 o 258.933 24.805 14.926  2.6868 12.710  3.5512  17.891  4.1087 231.764 37.460 276.763 35.901 -44.99976      51.88564 
1 1 1 5   34 20 o 97.108  34.791 1.9631  1.8157 0.8299  2.3163  3.7693  2.9242 89.489  37.156 127.048 44.273 -37.55914      57.79868 
1 1 1 5   35 0  o 520.170 18.871 57.633  4.1571 0.0000  0.0000  57.633  4.1571 ?       ?      520.170 18.871 0.000000       18.87110 
1 1 1 5   35 1  o 186.943 36.340 7.8079  2.7733 0.0000  0.0000  7.8079  2.7733 ?       ?      186.943 36.340 0.000000       36.33956 
1 1 1 5   35 2  o 475.440 28.666 48.702  5.7447 0.0000  0.0000  48.702  5.7447 ?       ?      475.440 28.666 0.000000       28.66589 
1 1 1 5   35 3  o 348.392 24.401 26.091  3.5774 0.0000  0.0000  26.091  3.5774 ?       ?      348.392 24.401 0.000000       24.40094 
1 1 1 5   35 4  o 230.152 21.398 11.405  2.0617 10.670  2.9486  12.107  2.8838 220.117 32.619 235.496 29.568 -15.37907      44.02603 
1 1 1 5   35 5  o 203.176 25.983 8.9932  2.1844 12.052  3.1870  6.2826  3.0000 233.945 33.091 166.244 42.461 67.70110       53.83228 
1 1 1 5   35 6  o 522.912 16.675 58.238  3.6926 65.196  5.9754  53.939  4.6968 551.092 25.604 502.142 22.087 48.95029       33.81373 
1 1 1 5   35 7  o 518.188 16.868 57.232  3.7017 49.711  5.8834  62.161  4.7625 479.005 29.141 539.106 20.860 -60.10126      35.83809 
1 1 1 5   35 8  o 503.868 17.452 54.177  3.7239 57.224  6.0143  52.282  4.7424 514.126 27.725 493.669 22.684 20.45679       35.82250 
1 1 1 5   35 9  o 402.914 18.216 34.694  3.1081 40.684  5.0404  31.019  3.9481 432.907 27.638 378.741 24.751 54.16611       37.10086 
1 1 1 5   35 10 o 384.575 19.164 31.668  3.1211 30.067  4.9234  32.744  4.0357 369.942 31.733 388.914 24.630 -18.97186      40.16998 
1 1 1 5   35 11 o 364.752 19.486 28.603  2.9991 31.126  4.6429  26.796  3.9288 377.051 29.307 350.705 26.653 26.34656       39.61382 
1 1 1 5   35 12 o 345.371 22.046 25.789  3.2077 27.598  4.5642  24.024  4.5091 353.956 30.755 329.204 32.779 24.75223       44.94793 
1 1 1 5   35 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   35 14 o 142.016 44.947 4.6793  3.0293 4.6793  3.0293  0.0000  0.0000 142.016 44.947 ?       ?      0.000000       44.94657 
1 1 1 5   35 15 o 273.838 24.320 16.478  2.7910 14.012  3.9372  18.969  3.9570 245.370 39.209 289.827 32.818 -44.45717      51.13113 
1 1 1 5   35 16 f 140.229 42.980 4.6693  2.7940 0.0000  0.0000  4.6693  2.7940 ?       ?      140.229 42.980 0.000000       42.98014 
1 1 1 5   35 17 o 258.620 26.264 14.879  2.8366 17.825  4.1125  12.205  3.9176 277.926 35.771 225.436 42.596 52.49007       55.62371 
1 1 1 5   35 18 o 226.201 26.843 11.505  2.5213 9.3049  3.3668  14.314  3.8043 195.219 41.972 246.229 37.682 -51.01033      56.40567 
1 1 1 5   35 19 f 459.102 22.395 46.300  4.3541 42.007  5.8505  51.630  6.5188 427.886 32.530 474.432 32.644 -46.54611      46.08475 
1 1 1 5   35 20 o 96.595  34.591 1.9479  1.7947 1.3976  2.3263  2.7569  2.8208 95.330  38.104 114.733 42.987 -19.40253      57.44363 
1 1 1 5   36 0  o 308.211 32.604 20.719  4.1909 0.0000  0.0000  20.719  4.1909 ?       ?      308.211 32.604 0.000000       32.60350 
1 1 1 5   36 1  o 464.546 18.257 45.978  3.5916 42.952  4.6831  50.301  5.5968 447.163 24.828 483.274 27.460 -36.11032      37.01990 
1 1 1 5   36 2  o 281.809 21.390 17.058  2.5338 19.578  3.1899  12.750  4.1707 301.227 25.238 237.926 42.974 63.30023       49.83690 
1 1 1 5   36 3  f 471.553 17.051 47.357  3.4051 55.584  5.4578  42.114  4.3572 509.108 25.314 442.983 23.308 66.12476       34.41042 
1 1 1 5   36 4  o 374.183 18.325 29.858  2.9039 31.533  4.5954  28.745  3.7468 381.578 28.647 365.371 24.354 16.20697       37.60028 
1 1 1 5   36 5  o 399.736 17.532 34.072  2.9678 30.822  4.6567  36.294  3.8514 376.750 29.420 411.128 22.203 -34.37869      36.85748 
1 1 1 5   36 6  o 246.219 21.917 13.088  2.2615 9.2760  3.5964  15.581  2.9084 201.122 43.491 267.848 25.967 -66.72617      50.65284 
1 1 1 5   36 7  o 382.667 17.983 31.277  2.9142 32.051  4.5770  30.749  3.7794 383.940 28.350 377.500 23.762 6.439789       36.99121 
1 1 1 5   36 8  o 370.888 18.446 29.417  2.8973 28.622  4.4985  29.980  3.7874 361.937 29.608 372.377 24.147 -10.44040      38.20644 
1 1 1 5   36 9  o 215.098 24.053 10.093  2.1535 10.105  3.4732  10.085  2.7449 209.979 40.526 212.883 31.388 -2.904449      51.25998 
1 1 1 5   36 10 o 471.563 18.255 47.619  3.6455 52.539  5.8020  44.409  4.6859 490.883 28.026 452.738 24.532 38.14563       37.24603 
1 1 1 5   36 11 o 377.115 19.350 30.597  3.0798 34.106  4.8092  28.158  4.0099 394.426 28.995 359.213 26.548 35.21277       39.31264 
1 1 1 5   36 12 o 75.924  31.806 0.3061  1.7190 -2.8440 2.5410  2.9643  2.3342 68.656  32.556 117.440 39.597 -48.78367      51.26244 
1 1 1 5   36 13 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 5   36 14 o 226.654 25.077 11.352  2.3667 8.2481  3.2319  14.941  3.4755 185.924 42.034 256.956 32.678 -71.03191      53.24162 
1 1 1 5   36 15 o 90.367  37.233 0.8325  2.3011 0.0000  0.0000  0.8325  2.3011 ?       ?      90.367  37.233 0.000000       37.23344 
1 1 1 5   36 16 o 98.184  34.707 1.9925  1.8012 -0.0000 2.7401  3.5087  2.3903 89.235  38.820 123.343 40.020 -34.10742      55.75463 
1 1 1 5   36 17 o 347.703 23.225 26.636  3.4002 29.445  4.8179  23.848  4.7994 359.572 31.973 320.395 35.995 39.17621       48.14437 
1 1 1 5   36 18 o 80.607  32.202 0.9055  1.6605 1.6027  2.2092  -0.0000 2.5175 96.275  37.545 84.903  37.066 11.37189       52.75911 
1 1 1 5   36 19 o 149.085 33.264 5.2776  2.0468 5.2196  2.6825  5.3584  3.1666 145.107 41.540 145.887 45.929 -0.7805023     61.92819 
1 1 1 5   37 0  o 304.006 16.903 19.746  2.1676 19.079  3.3184  20.243  2.8627 296.823 26.685 306.841 22.179 -10.01797      34.69852 
1 1 1 5   37 1  o 243.592 20.676 12.769  2.1128 13.748  3.4761  12.195  2.6607 249.671 33.740 236.661 27.032 13.01001       43.23347 
1 1 1 5   37 2  o 379.653 20.700 30.902  3.3156 27.899  4.3881  34.897  5.0616 358.468 29.158 400.876 30.033 -42.40814      41.85915 
1 1 1 5   37 3  o 595.297 16.043 75.493  4.0446 74.707  6.4536  76.002  5.1904 589.354 25.857 596.146 20.559 -6.792419      33.03449 
1 1 1 5   37 4  o 310.210 19.717 20.655  2.5768 14.325  3.9648  25.285  3.3904 253.002 38.194 342.416 23.523 -89.41388      44.85683 
1 1 1 5   37 5  o 373.678 18.232 29.830  2.8852 31.069  4.5121  28.973  3.7527 377.999 28.394 366.246 24.334 11.75345       37.39448 
1 1 1 5   37 6  o 205.414 25.048 9.2222  2.1339 11.769  3.3595  7.4997  2.7627 229.156 35.788 181.605 37.174 47.55101       51.60143 
1 1 1 5   37 7  f 303.823 19.712 19.860  2.5226 19.007  4.1266  20.369  3.1876 292.716 33.918 306.319 24.784 -13.60349      42.00789 
1 1 1 5   37 8  o 376.987 18.137 30.420  2.8956 33.726  4.6370  28.307  3.7073 393.097 28.038 361.326 24.370 31.77121       37.14898 
1 1 1 5   37 9  o 171.327 29.141 6.5621  2.0386 6.3958  3.1236  6.6856  2.6907 165.308 43.885 170.281 38.247 -4.972702      58.21291 
1 1 1 5   37 10 o 238.385 23.920 12.404  2.3823 15.258  3.6213  10.226  3.1632 261.171 33.514 211.963 36.559 49.20724       49.59608 
1 1 1 5   37 11 o 270.883 24.895 16.047  2.8239 15.299  3.8322  16.936  4.1771 260.176 35.724 273.315 37.043 -13.13873      51.46235 
1 1 1 5   37 12 o 112.404 40.196 2.5695  2.4227 0.8819  2.7808  7.8851  4.9352 98.332  40.760 178.941 57.448 -80.60940      70.43884 
1 1 1 5   37 13 o 139.400 37.931 4.5710  2.2989 0.0000  0.0000  4.5710  2.2989 ?       ?      139.400 37.931 0.000000       37.93077 
1 1 1 5   37 14 o 83.949  35.793 0.2688  2.2415 0.0000  0.0000  0.2688  2.2415 ?       ?      83.949  35.793 0.000000       35.79288 
1 1 1 5   37 15 o 300.951 23.010 19.891  2.9104 15.397  4.0822  24.537  4.1504 256.203 38.842 330.470 29.982 -74.26678      49.06785 
1 1 1 5   37 16 o 182.661 30.292 7.6562  2.2612 8.0462  3.3468  7.3287  3.0671 180.374 44.167 172.962 42.238 7.412674       61.11251 
1 1 1 5   37 17 o 127.016 36.207 3.8678  2.0424 1.5543  2.9059  6.1262  2.8711 103.327 42.121 156.974 42.255 -53.64675      59.66306 
1 1 1 5   37 18 o 108.990 33.964 2.7758  1.7365 -0.2670 2.3116  6.7171  2.6309 79.289  35.034 165.930 38.227 -86.64100      51.85264 
1 1 1 5   38 0  o 65.362  29.238 -0.6738 1.6610 -1.3117 3.2134  -0.4412 1.9402 89.920  40.413 73.476  32.296 16.44393       51.73246 
1 1 1 5   38 1  o 169.050 29.402 6.3517  2.0285 11.614  3.3858  3.4053  2.5335 227.852 36.307 125.895 41.219 101.9569       54.92886 
1 1 1 5   38 2  o 435.420 20.043 40.573  3.6959 41.564  4.9195  39.290  5.5998 438.173 26.638 424.170 31.397 14.00278       41.17464 
1 1 1 5   38 3  o 97.670  38.213 1.3480  2.2942 4.0292  2.9123  -3.0369 3.7244 135.717 44.181 88.182  41.045 47.53548       60.30465 
1 1 1 5   38 4  o 334.813 18.392 24.043  2.5977 25.435  4.1168  23.122  3.3486 341.340 28.747 326.746 24.375 14.59445       37.68989 
1 1 1 5   38 5  o 331.403 18.454 23.571  2.5797 20.750  3.9303  25.706  3.4192 307.229 30.615 344.713 23.563 -37.48322      38.63337 
1 1 1 5   38 6  o 149.415 31.151 5.0462  1.9072 5.6015  2.9573  4.6507  2.4956 155.445 43.311 142.346 39.831 13.09862       58.84145 
1 1 1 5   38 7  f 136.594 33.181 4.2585  1.9003 8.0631  2.9779  1.6447  2.4683 187.200 38.836 102.738 39.791 84.46235       55.60190 
1 1 1 5   38 8  o 241.947 23.197 12.749  2.3477 11.874  3.8323  13.274  2.9703 226.808 41.425 245.003 29.203 -18.19496      50.68388 
1 1 1 5   38 9  o 434.369 17.936 40.449  3.2994 38.255  5.0754  42.054  4.3420 417.458 28.886 440.445 23.362 -22.98755      37.15123 
1 1 1 5   38 10 o 95.546  40.080 0.6088  2.7357 0.6088  2.7357  0.0000  0.0000 95.546  40.080 ?       ?      0.000000       40.07981 
1 1 1 5   38 11 o 433.010 23.551 40.825  4.3024 39.303  5.4613  43.316  6.9850 420.723 30.867 436.563 38.165 -15.83945      49.08513 
1 1 1 5   38 12 o 308.675 20.770 20.719  2.6993 19.251  4.1974  21.755  3.5248 290.747 34.780 313.646 26.794 -22.89917      43.90391 
1 1 1 5   38 13 o 109.245 38.103 2.5603  2.1661 0.0000  0.0000  2.5603  2.1661 ?       ?      109.245 38.103 0.000000       38.10265 
1 1 1 5   38 14 o 103.856 34.160 2.3948  1.7393 3.3734  2.8895  1.8387  2.1781 123.657 43.932 99.724  37.687 23.93277       57.88248 
1 1 1 5   38 15 o 224.512 26.426 11.296  2.4645 13.817  3.5598  8.9750  3.4152 243.560 35.561 191.355 43.171 52.20500       55.93134 
1 1 1 5   38 16 o 86.365  33.989 1.1718  1.8243 4.3039  2.7905  -1.1658 2.4108 133.094 43.244 74.609  34.109 58.48440       55.07704 
1 1 1 5   38 17 o 66.496  30.956 -1.5614 2.1199 -1.5614 2.1199  0.0000  0.0000 66.496  30.956 ?       ?      0.000000       30.95588 
1 1 1 5   38 18 o 178.343 29.732 7.3749  2.1665 5.6241  2.8105  9.9389  3.4011 149.550 42.419 200.277 41.465 -50.72673      59.31873 
1 1 1 5   39 0  o 253.606 20.763 13.880  2.2104 16.144  3.8504  12.767  2.6995 269.467 34.536 241.609 26.837 27.85857       43.73727 
1 1 1 5   39 1  o 213.658 22.730 9.9221  2.0250 7.6335  3.4901  11.084  2.4864 180.881 45.580 224.928 26.619 -44.04718      52.78305 
1 1 1 5   39 2  o 196.492 25.931 8.4807  2.1051 9.2066  3.3269  7.9960  2.7185 200.238 40.622 187.909 35.462 12.32875       53.92304 
1 1 1 5   39 3  o 493.692 28.560 53.130  5.9456 0.0000  0.0000  53.130  5.9456 ?       ?      493.692 28.560 0.000000       28.55995 
1 1 1 5   39 4  o 650.792 16.197 90.474  4.4640 85.740  7.1002  93.569  5.7405 628.837 26.662 660.071 20.536 -31.23444      33.65372 
1 1 1 5   39 5  f 319.853 19.433 22.029  2.6198 23.014  3.9870  21.281  3.4755 323.552 29.419 312.114 26.546 11.43799       39.62554 
1 1 1 5   39 6  o 350.006 18.555 26.341  2.7405 27.377  4.1570  25.545  3.6447 353.468 28.000 342.422 25.313 11.04599       37.74577 
1 1 1 5   39 7  o 305.974 19.163 20.181  2.4706 18.798  3.9212  21.091  3.1815 290.522 32.424 311.168 24.337 -20.64572      40.54123 
1 1 1 5   39 8  o 256.495 22.365 14.314  2.4050 14.752  4.0485  14.075  2.9898 253.901 38.891 252.260 28.485 1.641129       48.20686 
1 1 1 5   39 9  o 332.208 31.027 24.527  4.3146 24.527  4.3146  0.0000  0.0000 332.208 31.027 ?       ?      0.000000       31.02690 
1 1 1 5   39 10 o 229.497 29.775 11.790  2.8256 10.118  3.4885  14.979  4.8179 207.410 41.169 249.976 47.242 -42.56624      62.66320 
1 1 1 5   39 11 o 326.896 20.227 23.211  2.7865 31.579  4.4386  17.767  3.5798 377.365 27.973 281.255 30.546 96.10953       41.41899 
1 1 1 5   39 12 o 167.801 57.102 7.1366  4.8546 0.0000  0.0000  7.1366  4.8546 ?       ?      167.801 57.102 0.000000       57.10246 
1 1 1 5   39 13 o 239.497 23.371 12.667  2.3402 11.733  3.6990  13.291  3.0218 221.468 40.948 242.207 30.110 -20.73950      50.82637 
1 1 1 5   39 14 o 126.867 32.610 3.7828  1.7616 1.6643  2.8481  5.0954  2.2419 104.525 42.026 146.095 36.376 -41.56973      55.58224 
1 1 1 5   39 15 o 178.213 26.968 7.2232  1.9717 12.235  3.0929  3.7919  2.5592 229.553 32.743 126.075 41.435 103.4780       52.81063 
1 1 1 5   39 16 o 187.426 29.141 8.1051  2.2379 7.6662  3.2660  8.4937  3.0726 173.554 44.289 185.498 40.268 -11.94411      59.85875 
1 1 1 5   39 17 o 161.316 32.353 6.1669  2.1333 7.0743  2.9954  5.2330  3.0390 167.463 42.241 143.448 44.968 24.01497       61.69640 
1 1 1 5   40 0  o 251.497 20.500 13.672  2.1644 17.527  3.8695  11.917  2.6111 280.724 33.191 232.908 26.971 47.81596       42.76768 
1 1 1 5   40 1  o 268.391 20.311 15.557  2.2915 15.891  3.8625  15.376  2.8465 266.279 35.109 265.282 25.658 0.9965210      43.48507 
1 1 1 5   40 2  o 505.493 16.096 54.608  3.4457 58.234  5.6020  52.402  4.3701 518.406 25.517 493.618 20.905 24.78821       32.98717 
1 1 1 5   40 3  o 218.397 23.099 10.406  2.1040 12.400  3.5138  9.2918  2.6269 233.859 36.687 203.668 31.471 30.19066       48.33626 
1 1 1 5   40 4  o 244.902 22.485 13.047  2.3060 17.424  3.6131  10.039  2.9954 280.259 30.959 210.510 34.817 69.74940       46.59083 
1 1 1 5   40 5  o 436.139 17.244 40.752  3.1849 43.134  5.0210  39.148  4.1198 444.320 26.809 424.976 22.977 19.34412       35.30821 
1 1 1 5   40 6  o 108.286 35.139 2.5590  1.8427 2.2933  2.6362  2.8128  2.5768 111.370 41.590 117.029 41.497 -5.658478      58.75130 
1 1 1 5   40 7  o 232.337 28.500 11.984  2.7454 13.739  3.4928  9.1477  4.4408 246.546 34.389 193.135 52.788 53.41057       63.00115 
1 1 1 5   40 8  f 560.967 27.387 68.927  6.5062 68.927  6.5062  0.0000  0.0000 560.967 27.387 ?       ?      0.000000       27.38709 
1 1 1 5   40 9  o 587.967 20.973 74.823  5.2223 72.352  6.8194  78.327  8.1206 573.268 28.090 591.892 32.522 -18.62366      42.97295 
1 1 1 5   40 10 o 193.912 32.673 8.6272  2.5877 0.0000  0.0000  8.6272  2.5877 ?       ?      193.912 32.673 0.000000       32.67340 
1 1 1 5   40 11 o 410.110 24.571 37.058  4.2477 0.0000  0.0000  37.058  4.2477 ?       ?      410.110 24.571 0.000000       24.57066 
1 1 1 5   40 12 o 76.807  33.983 -0.3915 2.1820 0.6629  2.5152  -3.5991 4.3870 91.231  38.359 91.641  43.252 -0.4101868     57.81091 
1 1 1 5   40 13 o 293.650 22.008 18.958  2.7169 23.031  4.2242  16.084  3.5482 317.728 31.822 264.785 32.313 52.94324       45.35130 
1 1 1 5   40 14 o 103.246 33.499 2.4288  1.6748 2.3886  2.9532  2.4479  2.0334 111.749 43.457 105.510 36.910 6.239845       57.01620 
1 1 1 5   40 15 o 196.559 25.784 8.7580  2.0945 14.539  3.4042  5.2364  2.6570 249.248 33.067 144.663 41.318 104.5844       52.92017 
1 1 1 5   40 16 o 304.620 21.184 20.511  2.7158 18.873  4.2842  21.611  3.5115 280.626 36.947 308.658 27.140 -28.03149      45.84417 
1 1 1 5   41 0  o 209.570 20.888 9.5474  1.8291 9.4906  2.8741  9.5861  2.3713 204.604 34.390 208.036 27.597 -3.432617      44.09393 
1 1 1 5   41 1  o 469.035 16.019 47.058  3.1819 53.382  5.4000  43.695  3.9382 494.938 25.853 450.461 20.644 44.47672       33.08400 
1 1 1 5   41 2  o 357.852 18.016 27.539  2.7216 28.676  4.4884  26.878  3.4225 360.545 29.659 351.786 23.102 8.759460       37.59445 
1 1 1 5   41 3  o 130.870 31.494 3.9186  1.7243 1.9269  2.9073  4.9995  2.1417 110.189 43.043 147.215 34.887 -37.02623      55.40561 
1 1 1 5   41 4  o 226.397 22.312 11.183  2.1114 12.368  3.3246  10.381  2.7335 233.660 34.648 215.183 30.881 18.47646       46.41218 
1 1 1 5   41 5  o 251.846 26.737 13.991  2.8080 13.619  3.6150  14.557  4.4586 244.602 35.972 249.070 43.873 -4.467163      56.73460 
1 1 1 5   41 6  o 262.455 33.793 15.558  3.6688 15.558  3.6688  0.0000  0.0000 262.455 33.793 ?       ?      0.000000       33.79321 
1 1 1 5   41 7  o 186.672 40.013 8.2097  3.0681 8.2097  3.0681  0.0000  0.0000 186.672 40.013 ?       ?      0.000000       40.01299 
1 1 1 5   41 8  o 227.920 22.813 11.410  2.1724 12.165  3.4210  10.900  2.8121 229.414 36.429 219.402 31.140 10.01172       47.92477 
1 1 1 5   41 9  o 173.577 35.673 7.0666  2.5346 0.0000  0.0000  7.0666  2.5346 ?       ?      173.577 35.673 0.000000       35.67269 
1 1 1 5   41 10 o 87.962  36.835 0.6363  2.3041 0.0000  0.0000  0.6363  2.3041 ?       ?      87.962  36.835 0.000000       36.83459 
1 1 1 5   41 11 o 257.782 21.496 14.597  2.3253 13.211  3.5093  15.681  3.1047 237.715 35.986 263.926 28.214 -26.21117      45.72746 
1 1 1 5   41 12 o 190.683 57.727 9.8653  5.0616 0.0000  0.0000  9.8653  5.0616 ?       ?      190.683 57.727 0.000000       57.72667 
1 1 1 5   41 13 o 233.033 24.053 12.124  2.3396 10.807  3.5562  13.129  3.1067 209.773 41.500 238.378 31.549 -28.60464      52.13090 
1 1 1 5   41 14 o 133.352 33.487 4.2751  1.8885 7.8937  3.1059  2.1527  2.3786 177.160 42.031 103.571 39.325 73.58920       57.55954 
1 1 1 5   41 15 o 82.071  32.524 1.0453  1.6813 2.2286  2.7688  0.3542  2.1161 107.194 41.969 81.013  34.665 26.18108       54.43381 
1 1 1 5   41 16 o 132.355 32.604 4.2127  1.8155 5.1028  2.6920  3.4701  2.4589 141.887 41.904 120.034 40.641 21.85381       58.37480 
1 1 1 5   42 0  o 72.241  30.327 0.2576  1.5683 2.4641  2.4917  -1.1899 2.0182 111.773 40.658 68.309  31.221 43.46422       51.26269 
1 1 1 5   42 1  o 66.592  29.821 -0.6497 1.7331 -1.9021 3.1058  -0.0834 2.0885 83.290  38.312 78.727  34.069 4.562920       51.26854 
1 1 1 5   42 2  o 144.240 32.531 4.7820  1.9398 6.3595  3.2601  3.9175  2.4135 163.123 45.482 130.528 39.936 32.59479       60.52737 
1 1 1 5   42 3  o 153.260 44.786 5.5786  3.0895 5.5786  3.0895  0.0000  0.0000 153.260 44.786 ?       ?      0.000000       44.78585 
1 1 1 5   42 4  o 133.050 38.587 4.1187  2.3012 8.3563  2.9312  -2.6886 3.7151 189.458 37.857 88.155  41.019 101.3031       55.81892 
1 1 1 5   42 5  o 238.448 37.255 13.113  3.6390 13.113  3.6390  0.0000  0.0000 238.448 37.255 ?       ?      0.000000       37.25491 
1 1 1 5   42 6  o 298.474 24.633 19.593  3.0859 16.094  4.0229  24.595  4.8099 264.245 36.960 328.682 35.098 -64.43671      50.97032 
1 1 1 5   42 7  o 122.291 42.176 3.3359  2.6505 0.0000  0.0000  3.3359  2.6505 ?       ?      122.291 42.176 0.000000       42.17625 
1 1 1 5   42 8  o 178.227 35.961 7.4825  2.6206 0.0000  0.0000  7.4825  2.6206 ?       ?      178.227 35.961 0.000000       35.96097 
1 1 1 5   42 9  o 148.824 30.410 5.1359  1.8519 5.3047  2.8908  5.0184  2.4117 146.995 43.427 144.217 38.687 2.778061       58.16025 
1 1 1 5   42 10 o 191.097 26.764 8.2499  2.1066 9.6535  3.2551  7.2384  2.7632 200.098 39.813 173.253 38.644 26.84430       55.48393 
1 1 1 5   42 11 f 72.154  30.827 0.1619  1.6689 -0.8228 2.5299  0.9205  2.2207 79.057  35.663 89.077  36.625 -10.01987      51.11995 
1 1 1 5   42 12 o 302.933 46.632 23.061  5.7905 0.0000  0.0000  23.061  5.7905 ?       ?      302.933 46.632 0.000000       46.63187 
1 1 1 5   42 13 o 83.570  33.743 0.9717  1.8444 1.6054  2.6808  0.4022  2.5416 100.347 40.623 87.744  37.778 12.60353       55.47371 
1 1 1 5   42 14 o 147.315 33.183 5.2294  2.0204 5.7332  3.0892  4.8528  2.6709 148.466 45.132 138.310 41.947 10.15662       61.61541 
1 1 1 5   42 15 o 77.665  32.246 0.6164  1.7445 0.2480  3.1231  0.7835  2.1032 93.542  41.049 84.824  35.328 8.717949       54.15787 
1 1 1 5   43 0  o 294.691 20.983 18.875  2.6015 19.302  3.3992  18.270  4.0419 295.351 27.492 283.950 34.308 11.40128       43.96443 
1 1 1 5   43 1  o 260.019 25.144 14.891  2.7342 17.569  3.8466  12.155  3.8871 278.835 33.230 227.044 41.973 51.79068       53.53497 
1 1 1 5   43 2  o 204.520 30.678 9.4548  2.5752 8.4694  3.5594  10.537  3.7302 187.021 45.399 210.133 43.356 -23.11180      62.77583 
1 1 1 5   43 3  o 235.885 37.600 12.901  3.6300 12.901  3.6300  0.0000  0.0000 235.885 37.600 ?       ?      0.000000       37.60027 
1 1 1 5   43 4  o 320.131 21.666 22.359  2.9200 24.197  4.0089  20.281  4.2618 329.328 29.041 298.289 34.366 31.03879       44.99349 
1 1 1 5   43 5  o 271.028 27.388 16.387  3.1004 0.0000  0.0000  16.387  3.1004 ?       ?      271.028 27.388 0.000000       27.38803 
1 1 1 5   43 6  o 237.587 31.258 12.868  3.0687 0.0000  0.0000  12.868  3.0687 ?       ?      237.587 31.258 0.000000       31.25813 
1 1 1 5   43 7  o 164.383 31.304 6.2669  2.0997 8.0302  3.1983  4.9312  2.7835 180.908 42.473 142.170 42.756 38.73775       60.26630 
1 1 1 5   43 8  o 152.181 30.655 5.3865  1.9073 1.9821  2.8761  8.0592  2.5483 107.509 42.560 185.506 33.679 -77.99661      54.27337 
1 1 1 5   43 9  o 115.838 35.434 3.1532  1.9001 6.1071  3.0224  1.2228  2.4433 156.372 43.861 95.059  38.673 61.31358       58.47530 
1 1 1 5   43 10 o 226.031 23.763 11.392  2.2406 10.469  3.4741  12.050  2.9318 206.795 41.117 228.617 31.088 -21.82166      51.54683 
1 1 1 5   43 11 o 235.736 22.767 12.374  2.2446 11.508  3.5100  12.974  2.9197 217.065 39.644 237.517 29.674 -20.45222      49.51971 
1 1 1 5   43 12 o 94.497  38.290 1.3624  2.3842 0.0000  0.0000  1.3624  2.3842 ?       ?      94.497  38.290 0.000000       38.29007 
1 1 1 5   43 13 o 123.488 34.921 3.7265  1.9078 4.9319  2.7530  2.6128  2.6462 138.771 42.685 109.876 41.536 28.89565       59.55844 
1 1 1 5   43 14 o 269.582 22.921 16.279  2.5920 16.676  3.9102  15.968  3.4619 262.835 36.081 260.419 32.068 2.415741       48.27252 
1 1 1 5   44 0  o 130.989 28.625 3.9362  1.5436 4.5583  2.2969  3.4240  2.0844 138.729 37.984 121.545 37.100 17.18430       53.09567 
1 1 1 5   44 1  f 134.322 32.074 4.1976  1.7993 1.8158  3.1145  5.3909  2.2045 109.573 43.986 151.505 35.054 -41.93209      56.24509 
1 1 1 5   44 2  o 159.923 47.286 6.3263  3.4261 0.0000  0.0000  6.3263  3.4261 ?       ?      159.923 47.286 0.000000       47.28624 
1 1 1 5   44 3  f 295.504 36.699 20.281  4.4937 0.0000  0.0000  20.281  4.4937 ?       ?      295.504 36.699 0.000000       36.69908 
1 1 1 5   44 4  o 276.473 26.147 17.049  3.0251 0.0000  0.0000  17.049  3.0251 ?       ?      276.473 26.147 0.000000       26.14748 
1 1 1 5   44 5  f 124.990 34.963 3.7050  1.9232 4.0944  2.9343  3.4118  2.5464 131.364 44.396 121.596 41.356 9.767998       60.67429 
1 1 1 5   44 6  o 225.285 23.182 11.271  2.1801 8.3816  3.3933  13.302  2.8450 183.128 44.249 242.326 28.253 -59.19772      52.49939 
1 1 1 5   44 7  o 109.510 36.507 2.7366  1.9841 6.7194  2.9061  -0.7407 2.7154 164.766 41.632 82.469  37.099 82.29708       55.76329 
1 1 1 5   44 8  o 162.455 29.585 6.1133  1.9604 8.3730  2.9620  4.3518  2.6152 185.660 38.917 133.440 41.695 52.21992       57.03501 
1 1 1 5   44 9  o 204.843 24.027 9.4073  2.0447 6.3755  3.1942  11.512  2.6615 157.960 45.361 224.376 28.665 -66.41600      53.65900 
1 1 1 5   44 10 o 136.281 33.448 4.4720  1.9161 8.5426  2.9691  1.5670  2.5082 186.295 38.890 98.205  39.455 88.08971       55.39994 
1 1 1 5   44 11 o 115.637 35.035 3.2354  1.8639 -1.0289 3.0917  5.6700  2.3361 84.783  38.709 151.475 36.785 -66.69168      53.39934 
1 1 1 5   44 12 o 203.557 35.112 10.034  2.9175 0.0000  0.0000  10.034  2.9175 ?       ?      203.557 35.112 0.000000       35.11219 
1 1 1 5   44 13 o 196.204 27.465 8.9040  2.2195 8.0359  3.4863  9.4957  2.8782 173.255 46.530 197.282 35.768 -24.02711      58.68863 
1 1 1 5   45 0  o 79.580  34.699 -0.0761 2.2000 -1.1658 4.8411  0.2075  2.4698 107.236 48.757 86.309  37.200 20.92732       61.32734 
1 1 1 5   45 1  o 174.244 42.240 7.4762  3.0846 0.0000  0.0000  7.4762  3.0846 ?       ?      174.244 42.240 0.000000       42.24043 
1 1 1 5   45 2  o 338.328 18.093 24.874  2.5830 27.793  4.3946  23.333  3.1926 350.151 29.924 324.895 23.360 25.25534       37.96195 
1 1 1 5   45 3  o 313.944 22.535 21.754  2.9762 24.008  4.0466  19.098  4.3926 325.146 29.716 284.263 37.396 40.88351       47.76554 
1 1 1 5   45 4  o 190.555 27.372 8.2627  2.1455 7.6414  3.5506  8.6200  2.6926 172.544 47.219 191.002 34.561 -18.45840      58.51548 
1 1 1 5   45 5  o 186.560 26.916 7.9147  2.0650 6.4828  3.1801  8.9586  2.7154 159.856 45.045 194.902 34.142 -35.04533      56.52200 
1 1 1 5   45 6  o 155.719 29.687 5.6409  1.8862 7.2630  2.9032  4.4559  2.4813 171.391 40.619 134.733 40.335 36.65787       57.24353 
1 1 1 5   45 7  o 70.471  31.348 -0.4042 1.8812 -1.4285 2.9168  0.3254  2.4616 80.768  37.143 86.363  37.181 -5.594582      52.55470 
1 1 1 5   45 8  o 83.674  33.870 0.9513  1.8634 -0.7350 2.9482  2.0731  2.4047 85.206  38.463 102.803 39.419 -17.59768      55.07463 
1 1 1 5   45 9  o 106.087 35.381 2.6257  1.8635 3.0314  2.9219  2.3476  2.4194 116.335 43.718 105.529 39.757 10.80626       59.09265 
1 1 1 5   45 10 o 111.835 34.453 3.0210  1.7927 4.4077  2.8039  2.0623  2.3315 131.425 43.379 100.996 38.794 30.42905       58.19537 
1 1 1 5   45 11 f 195.609 26.419 8.8122  2.1326 12.813  3.2633  5.8296  2.8174 230.463 34.496 149.503 42.494 80.96065       54.73293 
1 1 1 5   45 12 o 181.734 37.459 8.2255  2.7871 0.0000  0.0000  8.2255  2.7871 ?       ?      181.734 37.459 0.000000       37.45860 
1 1 1 5   46 0  o 251.850 18.164 13.850  1.9243 17.141  2.8949  11.244  2.5757 276.754 24.969 222.180 27.996 54.57454       37.51305 
1 1 1 5   46 1  o 168.448 27.818 6.5175  1.9151 5.8682  3.5698  6.7799  2.2694 150.893 48.902 169.457 32.809 -18.56479      58.88848 
1 1 1 5   46 2  o 166.635 28.486 6.4065  1.9380 4.3201  3.3553  7.4511  2.3741 133.486 47.350 177.831 32.730 -44.34468      57.56119 
1 1 1 5   46 3  o 197.537 31.397 9.0924  2.5386 9.6598  3.5128  8.4721  3.6729 196.084 43.445 180.684 47.407 15.40009       64.30376 
1 1 1 5   46 4  o 345.895 18.478 26.122  2.6969 27.844  4.5076  25.162  3.3657 347.990 30.909 336.155 23.796 11.83548       39.00777 
1 1 1 5   46 5  o 485.098 17.281 51.097  3.5502 52.529  5.6217  50.147  4.5787 481.953 27.659 476.298 22.700 5.655579       35.78158 
1 1 1 5   46 6  o 67.689  30.714 -0.7801 1.9089 -1.2110 3.1896  -0.5396 2.3826 85.522  39.148 77.898  34.920 7.623146       52.45930 
1 1 1 5   46 7  o 80.790  33.378 0.7404  1.8558 2.8859  2.7575  -1.0361 2.5092 113.805 42.528 76.194  34.820 37.61126       54.96455 
1 1 1 5   46 8  o 137.984 35.392 4.6995  2.0782 4.0953  3.1828  5.1485  2.7437 127.988 46.040 141.197 42.447 -13.20877      62.62120 
1 1 1 5   46 9  o 148.602 31.633 5.3234  1.9297 6.8874  3.0734  4.3056  2.4793 161.460 43.825 129.888 40.599 31.57193       59.74096 
1 1 1 5   46 10 o 171.753 27.669 6.8942  1.9441 7.6804  2.9369  6.2810  2.5938 172.609 40.818 156.783 39.177 15.82542       56.57710 
1 1 1 5   46 11 o 120.591 40.807 3.6479  2.4790 2.9141  2.9370  5.4661  4.6231 113.409 43.545 141.164 54.518 -27.75491      69.77402 
1 1 1 5   47 0  o 207.898 22.206 9.6395  1.9249 2.4027  3.2389  13.591  2.3934 112.859 45.010 246.680 23.182 -133.8205      50.62962 
1 1 1 5   47 1  o 75.974  30.580 0.7695  1.5097 1.6221  2.4151  0.2226  1.9343 97.815  38.912 76.943  33.039 20.87260       51.04605 
1 1 1 5   47 2  o 156.452 29.627 5.7308  1.8911 9.3394  3.1406  3.6781  2.3687 194.518 39.474 122.931 39.834 71.58701       56.07992 
1 1 1 5   47 3  o 61.046  28.078 -0.9944 1.6679 -1.5090 2.9010  -0.7404 2.0385 79.567  36.753 70.374  31.855 9.193344       48.63643 
1 1 1 5   47 4  o 61.570  28.473 -1.1429 1.7486 1.8611  2.8296  -2.9991 2.2242 103.809 41.836 60.175  29.042 43.63328       50.92792 
1 1 1 5   47 5  o 133.796 34.152 4.3731  1.9417 4.8117  3.2895  4.1386  2.4054 136.415 46.990 128.509 39.961 7.906082       61.68382 
1 1 1 5   47 6  o 190.595 27.335 8.4121  2.1432 5.4421  3.2107  10.799  2.8784 143.026 46.380 212.443 33.070 -69.41682      56.96241 
1 1 1 5   47 7  o 107.671 41.000 2.5444  2.5902 0.0000  0.0000  2.5444  2.5902 ?       ?      107.671 41.000 0.000000       41.00002 
1 1 1 5   47 8  o 219.228 25.727 11.049  2.3431 13.722  3.6178  9.1169  3.0751 234.896 37.640 189.076 39.670 45.82028       54.68514 
1 1 1 5   47 9  o 64.929  29.359 -0.5791 1.7262 2.7135  2.8678  -2.4501 2.1618 110.516 42.866 61.125  29.274 49.39100       51.90828 
1 1 1 5   47 10 o 67.962  29.964 -0.1408 1.6819 1.7900  2.6194  -1.4951 2.1938 99.410  40.186 67.102  31.322 32.30829       50.95078 
1 1 1 5   48 0  f 202.646 20.627 9.1378  1.7455 9.7946  2.6466  8.6322  2.3222 203.572 31.733 192.263 29.459 11.30896       43.29972 
1 1 1 5   48 1  o 92.355  34.673 1.7148  1.8370 -0.0001 4.8640  2.0001  1.9839 108.959 49.274 97.482  36.143 11.47694       61.10858 
1 1 1 5   48 2  o 194.410 25.382 8.6410  2.0398 10.899  3.5644  7.5415  2.4874 206.564 42.173 176.086 34.590 30.47783       54.54403 
1 1 1 5   48 3  o 84.114  33.341 1.1674  1.7671 -0.6760 3.2146  1.9656  2.1154 87.808  39.849 97.733  37.091 -9.924606      54.43971 
1 1 1 5   48 4  o 71.507  32.617 -0.8476 2.1886 -1.2107 2.9696  -0.4158 3.2381 81.149  37.377 89.364  40.327 -8.215096      54.98495 
1 1 1 5   48 5  o 80.979  32.984 0.9268  1.7800 0.3502  3.1535  1.1964  2.1563 93.065  41.031 88.757  36.245 4.307877       54.74680 
1 1 1 5   48 6  o 161.945 30.641 6.3052  2.0245 3.5668  3.0775  8.3945  2.6880 120.031 44.914 183.710 35.838 -63.67888      57.45948 
1 1 1 5   48 7  o 106.927 35.903 2.7778  1.9189 5.4736  2.8253  0.4694  2.6144 142.885 43.099 87.246  37.936 55.63902       57.41708 
1 1 1 5   48 8  o 125.175 36.535 3.9761  2.0570 3.4178  3.1742  4.3804  2.7010 118.442 45.319 128.975 42.576 -10.53351      62.18113 
1 1 1 5   48 9  o 317.240 23.649 22.835  3.1544 17.219  4.3586  29.010  4.5708 258.804 41.145 349.413 31.218 -90.60947      51.64809 
1 1 1 5   49 0  o 271.316 17.785 16.216  2.0322 10.498  3.0106  21.001  2.7544 206.224 35.769 306.352 21.364 -100.1279      41.66367 
1 1 1 5   49 1  o 55.897  25.591 -0.7198 1.3636 3.7670  2.1371  -3.8007 1.7709 121.989 37.622 47.270  23.432 74.71881       44.32262 
1 1 1 5   49 2  o 71.931  30.605 0.3496  1.6327 1.3720  2.6282  -0.2928 2.0834 95.203  39.558 73.561  32.837 21.64175       51.41083 
1 1 1 5   49 3  o 137.265 33.480 4.6831  1.9288 5.1912  3.2802  4.4146  2.3846 137.368 46.937 130.251 39.665 7.117264       61.45257 
1 1 1 5   49 4  o 219.700 44.459 12.921  3.9945 12.921  3.9945  0.0000  0.0000 219.700 44.459 ?       ?      0.000000       44.45869 
1 1 1 5   49 5  o 260.258 21.894 15.288  2.3906 10.363  3.9467  18.142  3.0045 191.467 48.593 280.592 25.565 -89.12544      54.90732 
1 1 1 5   49 6  f 102.422 36.785 2.4696  2.0311 1.9955  3.2692  2.7677  2.5920 105.413 43.986 108.669 41.101 -3.255249      60.20018 
1 1 1 5   49 7  o 206.277 29.729 10.140  2.5220 8.1459  3.3556  12.728  3.8234 171.833 45.423 219.559 42.657 -47.72623      62.31289 
1 1 1 5   50 0  o 223.805 19.896 11.227  1.8660 8.1256  2.8192  13.645  2.4894 177.074 38.677 243.578 24.464 -66.50436      45.76489 
1 1 1 5   50 1  o 96.351  32.428 2.2081  1.5655 2.8026  2.3667  1.7458  2.0873 107.713 39.558 93.193  36.453 14.52022       53.79264 
1 1 1 5   50 2  o 150.104 27.684 5.3696  1.6950 5.0836  2.8352  5.5287  2.1145 136.251 43.521 148.132 34.370 -11.88058      55.45670 
1 1 1 5   50 3  o 162.622 30.909 6.4438  2.0509 6.5517  3.4742  6.3861  2.5408 150.456 48.189 156.288 38.613 -5.831757      61.75134 
1 1 1 5   50 4  o 136.338 39.283 4.9114  2.3919 4.2806  3.4732  5.4804  3.2989 126.053 47.601 139.044 47.073 -12.99094      66.94601 
1 1 1 5   50 5  o 201.772 27.047 9.5650  2.2530 6.0243  3.7862  11.506  2.8033 143.214 50.351 218.156 31.234 -74.94188      59.25214 
1 1 1 5   51 0  o 108.427 32.744 2.9426  1.6300 1.4957  2.4374  4.1133  2.1924 93.026  38.324 125.019 38.025 -31.99335      53.98673 
1 1 1 5   51 1  o 92.962  32.375 2.0270  1.5635 0.3146  2.4919  3.1388  2.0080 83.266  36.600 111.020 36.713 -27.75421      51.84014 
1 1 1 5   51 2  o 147.041 36.713 5.6118  2.2791 5.0168  3.0079  6.4140  3.4924 133.758 44.951 147.638 48.398 -13.88029      66.05224 
1 1 1 5   51 3  o 75.134  33.458 -0.1237 2.1489 3.4408  2.8399  -4.8988 3.2870 115.794 43.182 68.066  33.388 47.72781       54.58384 
1 1 1 6   0  0  o 325.685 21.941 22.845  2.9947 21.338  4.2388  24.346  4.2314 311.070 33.121 333.844 30.516 0.000000       0.000000 
1 1 1 6   0  1  o 196.896 24.003 8.6034  1.9220 11.074  2.7392  6.2072  2.6977 221.763 30.879 151.902 47.751 0.000000       0.000000 
1 1 1 6   0  2  o 664.363 31.990 94.900  8.9528 0.0000  0.0000  94.900  8.9528 664.363 31.990 664.363 31.990 0.000000       0.000000 
1 1 1 6   0  3  o 770.188 32.580 127.402 10.583 127.402 10.583  0.0000  0.0000 770.188 32.580 770.188 32.580 0.000000       0.000000 
1 1 1 6   0  4  o 296.685 22.566 19.038  2.7975 20.046  3.9772  18.051  3.9357 301.484 31.973 284.828 33.895 0.000000       0.000000 
1 1 1 6   0  5  o 297.108 22.767 19.093  2.8260 20.918  3.9816  17.240  4.0116 308.556 31.202 277.400 35.787 0.000000       0.000000 
1 1 1 6   0  6  o 256.310 23.744 14.317  2.5265 10.698  3.5417  18.068  3.6051 210.656 45.223 286.452 30.598 0.000000       0.000000 
1 1 1 6   0  7  o 718.973 23.008 110.126 6.9891 112.066 9.8524  108.161 9.9161 723.176 32.317 710.171 33.136 0.000000       0.000000 
1 1 1 6   0  8  o 313.185 33.359 21.569  4.2981 21.569  4.2981  0.0000  0.0000 313.185 33.359 313.185 33.359 0.000000       0.000000 
1 1 1 6   0  9  o 715.853 23.188 109.071 7.0128 103.436 9.8592  114.842 9.9769 695.000 33.678 732.881 32.288 0.000000       0.000000 
1 1 1 6   0  10 o 704.899 33.136 106.285 9.8418 0.0000  0.0000  106.285 9.8418 704.899 33.136 704.899 33.136 0.000000       0.000000 
1 1 1 6   0  11 o 149.804 48.009 6.0390  2.6861 6.0390  2.6861  0.0000  0.0000 149.804 48.009 149.804 48.009 0.000000       0.000000 
1 1 1 6   0  12 o 555.915 23.399 65.899  5.4865 72.916  7.7829  58.967  7.7355 583.325 31.720 523.162 35.283 0.000000       0.000000 
1 1 1 6   0  13 o 709.115 23.444 107.025 7.0230 107.923 9.8432  106.095 10.023 710.333 32.882 704.054 33.794 0.000000       0.000000 
1 1 1 6   0  14 o 229.495 26.192 11.609  2.4599 8.8104  3.4959  14.353  3.4620 185.195 51.526 253.263 33.999 0.000000       0.000000 
1 1 1 6   0  15 o 381.905 23.567 31.306  3.7783 30.520  5.3135  32.110  5.3738 374.155 34.190 384.185 33.621 0.000000       0.000000 
1 1 1 6   0  16 o 607.755 23.454 78.755  6.0162 68.329  8.3827  89.829  8.6395 563.164 35.471 647.562 31.677 0.000000       0.000000 
1 1 1 6   0  17 o 608.461 33.960 79.548  8.6885 0.0000  0.0000  79.548  8.6885 608.461 33.960 608.461 33.960 0.000000       0.000000 
1 1 1 6   0  18 o 92.588  49.318 2.6448  2.6229 2.6448  2.6229  0.0000  0.0000 92.588  49.318 92.588  49.318 0.000000       0.000000 
1 1 1 6   0  19 f 713.288 33.334 109.254 10.019 109.254 10.019  0.0000  0.0000 713.288 33.334 713.288 33.334 0.000000       0.000000 
1 1 1 6   0  20 f 334.084 24.355 24.123  3.4037 24.303  4.8162  23.944  4.8108 331.657 35.296 328.999 35.583 0.000000       0.000000 
1 1 1 6   0  21 o 292.943 25.450 18.690  3.1025 18.281  4.2129  19.176  4.5859 285.401 36.488 291.424 39.142 0.000000       0.000000 
1 1 1 6   0  22 o 314.607 24.833 21.489  3.2611 19.802  4.4673  23.413  4.7716 297.018 37.077 324.566 35.830 0.000000       0.000000 
1 1 1 6   0  23 o 82.213  40.150 2.1503  1.6507 2.7164  2.2476  1.4875  2.4321 92.039  46.492 75.905  44.634 0.000000       0.000000 
1 1 1 6   0  24 o 316.625 26.026 21.881  3.4355 21.303  4.5627  22.637  5.2204 307.956 36.311 315.453 40.988 0.000000       0.000000 
1 1 1 6   0  25 o 569.250 33.464 70.739  8.0034 70.739  8.0034  0.0000  0.0000 569.250 33.464 569.250 33.464 0.000000       0.000000 
1 1 1 6   0  26 o 157.626 38.872 6.2581  2.2465 9.9639  2.9600  1.2231  3.4502 204.727 37.983 81.079  50.296 0.000000       0.000000 
1 1 1 6   1  0  o 557.766 15.459 66.114  3.6516 62.221  5.1398  70.081  5.1888 540.009 22.475 573.314 21.371 -33.30536      31.01387 
1 1 1 6   1  1  o 457.859 15.343 44.557  2.9750 46.717  4.2039  42.391  4.2106 468.020 21.210 445.087 22.411 22.93283       30.85615 
1 1 1 6   1  2  o 321.375 21.902 22.145  2.9631 21.383  4.1810  22.914  4.1999 313.575 31.930 324.977 30.888 -11.40222      44.42529 
1 1 1 6   1  3  o 527.908 21.989 59.496  4.9159 61.340  6.9496  57.649  6.9546 533.056 30.918 516.375 31.960 16.68097       44.46729 
1 1 1 6   1  4  o 571.896 15.722 69.544  3.8077 62.781  5.3607  76.431  5.4095 542.016 23.354 598.496 21.343 -56.47974      31.63746 
1 1 1 6   1  5  o 182.045 17.246 7.1123  1.3137 8.5287  1.8634  5.7128  1.8523 198.657 22.549 160.985 28.197 37.67166       36.10436 
1 1 1 6   1  6  o 362.171 15.709 27.869  2.4094 29.743  3.4023  25.983  3.4126 372.973 21.633 348.237 23.274 24.73605       31.77569 
1 1 1 6   1  7  o 920.075 16.847 179.838 6.5645 184.419 9.2932  175.276 9.2741 930.260 23.589 906.767 24.151 23.49274       33.75973 
1 1 1 6   1  8  o 301.101 22.841 19.400  2.8908 20.854  4.0944  17.955  4.0821 310.832 31.542 287.672 34.177 23.15936       46.50700 
1 1 1 6   1  9  o 747.459 16.358 118.543 5.1781 115.024 7.3144  122.077 7.3316 735.489 23.483 757.788 22.846 -22.29901      32.76266 
1 1 1 6   1  10 o 802.184 23.575 136.755 8.0088 136.958 11.337  136.554 11.315 801.310 33.409 800.128 33.393 1.181274       47.23618 
1 1 1 6   1  11 o 441.648 22.715 41.542  4.2340 32.620  5.9282  50.832  6.0493 389.247 36.385 487.784 29.422 -98.53625      46.79204 
1 1 1 6   1  12 f 805.947 16.715 137.785 5.7050 138.645 8.0497  136.917 8.0867 807.751 23.532 802.671 23.790 5.079590       33.46188 
1 1 1 6   1  13 o 424.014 16.421 38.140  2.9486 33.817  4.1095  42.728  4.2331 398.061 24.497 448.436 22.290 -50.37537      33.12006 
1 1 1 6   1  14 o 431.725 16.366 39.548  2.9922 39.076  4.2120  40.029  4.2516 428.055 23.323 433.272 23.256 -5.216064      32.93629 
1 1 1 6   1  15 o 400.004 16.371 33.957  2.7732 33.152  3.9093  34.773  3.9347 394.062 23.533 403.673 23.113 -9.610962      32.98479 
1 1 1 6   1  16 f 850.226 17.031 153.471 6.1323 147.641 8.6255  159.430 8.7200 832.757 24.458 865.490 23.791 -32.73358      34.12045 
1 1 1 6   1  17 o 658.543 23.831 92.327  6.6462 93.899  9.3976  90.753  9.4007 661.530 33.656 650.169 34.263 11.36169       48.02785 
1 1 1 6   1  18 o 582.362 23.186 72.238  5.7184 78.109  8.1256  66.476  8.0489 603.165 31.925 555.683 34.372 47.48157       46.91054 
1 1 1 6   1  19 o 267.287 20.917 15.310  2.3488 18.321  2.9470  10.068  3.8889 292.016 24.044 211.362 44.836 80.65411       50.87612 
1 1 1 6   1  20 o 454.899 16.658 44.023  3.2090 50.896  4.5710  37.342  4.5062 488.258 22.106 416.871 25.650 71.38705       33.86134 
1 1 1 6   1  21 o 243.129 18.287 12.668  1.8691 11.823  2.6133  13.554  2.6745 233.156 26.964 250.145 25.607 -16.98853      37.18582 
1 1 1 6   1  22 f 509.527 16.623 55.316  3.5870 52.710  5.0533  57.962  5.0924 495.700 24.072 520.070 23.122 -24.36990      33.37749 
1 1 1 6   1  23 o 321.709 17.196 22.160  2.3343 23.170  3.3278  21.183  3.2752 327.234 24.185 312.592 24.949 14.64240       34.74667 
1 1 1 6   1  24 o 518.421 19.756 57.629  4.3375 55.840  5.2372  61.538  7.7397 508.675 24.312 527.794 34.823 -19.11896      42.46951 
1 1 1 6   1  25 o 374.152 23.733 30.381  3.7411 31.368  5.2773  29.384  5.3041 375.761 33.515 362.862 34.949 12.89963       48.42193 
1 1 1 6   1  26 o 627.988 17.116 84.572  4.5521 89.231  6.4606  79.978  6.4149 641.302 23.788 606.394 24.980 34.90771       34.49463 
1 1 1 6   2  0  o 507.784 15.283 54.793  3.2865 56.902  4.6292  52.650  4.6667 516.617 21.159 496.774 22.182 19.84225       30.65550 
1 1 1 6   2  1  o 363.012 15.257 28.009  2.3455 29.158  3.3099  26.850  3.3241 369.128 21.264 353.983 22.288 15.14432       30.80428 
1 1 1 6   2  2  f 268.858 22.148 15.534  2.4993 16.254  3.5399  14.818  3.5293 273.162 31.158 260.268 32.745 12.89438       45.20033 
1 1 1 6   2  3  o 633.846 22.340 85.796  5.9967 78.887  8.4066  92.954  8.5565 603.935 32.994 657.280 30.740 -53.34485      45.09475 
1 1 1 6   2  4  o 374.330 15.493 29.790  2.4561 31.414  3.4728  28.165  3.4741 383.097 21.492 362.439 22.750 20.65814       31.29646 
1 1 1 6   2  5  o 622.461 15.830 82.364  4.1729 84.422  5.8968  80.300  5.9059 629.018 22.137 613.340 22.737 15.67767       31.73366 
1 1 1 6   2  6  f 544.188 15.745 62.919  3.6285 57.561  5.1039  68.394  5.1594 519.477 23.200 566.542 21.504 -47.06476      31.63345 
1 1 1 6   2  7  o 470.810 15.713 47.068  3.1330 47.395  4.4278  46.741  4.4335 471.784 22.162 468.495 22.346 3.289001       31.47195 
1 1 1 6   2  8  o 287.769 18.659 17.665  2.2616 18.214  2.7738  16.575  3.9065 291.730 22.628 276.277 34.113 15.45349       40.93596 
1 1 1 6   2  9  o 436.813 15.843 40.479  2.9307 41.452  4.1473  39.508  4.1420 441.068 22.275 430.510 22.800 10.55850       31.87504 
1 1 1 6   2  10 o 645.269 23.029 88.471  6.2929 94.426  8.9555  82.663  8.8445 665.591 31.772 621.604 33.725 43.98682       46.33330 
1 1 1 6   2  11 o 580.659 22.622 71.619  5.5628 75.291  7.8204  67.857  7.9145 593.709 31.213 563.200 33.331 30.50983       45.66446 
1 1 1 6   2  12 o 1042.55 17.473 230.601 7.7145 238.240 10.898  222.929 10.922 1058.71 24.307 1023.98 25.186 34.72766       35.00238 
1 1 1 6   2  13 o 520.192 16.127 57.402  3.5528 58.428  5.0102  56.364  5.0388 524.367 22.562 514.978 23.104 9.388550       32.29298 
1 1 1 6   2  14 o 484.303 16.261 49.767  3.3351 50.446  4.7028  49.080  4.7305 487.113 22.797 480.436 23.250 6.677582       32.56196 
1 1 1 6   2  15 o 660.842 16.512 92.687  4.6211 98.033  6.5382  87.351  6.5321 678.927 22.740 640.700 24.075 38.22729       33.11646 
1 1 1 6   2  16 o 730.327 16.724 113.228 5.1724 110.660 7.2684  115.863 7.3622 721.055 23.803 737.852 23.561 -16.79736      33.49172 
1 1 1 6   2  17 o 759.053 24.073 122.676 7.7384 120.472 10.940  124.884 10.948 750.038 34.442 763.798 33.845 -13.76050      48.28812 
1 1 1 6   2  18 o 531.022 32.868 60.646  7.3552 60.646  7.3552  0.0000  0.0000 531.022 32.868 ?       ?      0.000000       32.86821 
1 1 1 6   2  19 o 995.880 25.086 211.844 10.580 217.125 15.130  206.790 14.800 1003.81 35.591 979.589 35.677 24.22235       50.39417 
1 1 1 6   2  20 o 763.981 17.036 124.198 5.5118 126.872 7.7900  121.518 7.7997 770.338 23.879 753.739 24.435 16.59906       34.16526 
1 1 1 6   2  21 o 323.939 17.442 22.416  2.3840 23.997  3.4311  20.941  3.3148 333.826 24.440 311.525 25.346 22.30151       35.20964 
1 1 1 6   2  22 o 126.772 25.343 3.5709  1.3130 4.6614  1.8892  2.5520  1.8262 144.024 31.823 109.233 34.933 34.79086       47.25445 
1 1 1 6   2  23 o 563.772 19.563 68.037  4.6707 69.407  8.3011  67.402  5.6499 561.759 35.069 559.670 23.838 2.089600       42.40342 
1 1 1 6   2  24 o 379.896 19.960 31.037  3.1999 28.909  3.8891  35.497  5.6304 364.886 25.325 400.958 33.464 -36.07193      41.96667 
1 1 1 6   2  25 o 358.812 34.497 28.706  5.1773 0.0000  0.0000  28.706  5.1773 ?       ?      358.812 34.497 0.000000       34.49708 
1 1 1 6   2  26 o 183.464 25.943 7.4669  1.9594 5.6779  3.5582  8.2456  2.3474 155.079 48.665 191.621 29.903 -36.54207      57.11784 
1 1 1 6   3  0  o 214.783 15.543 9.8557  1.4042 10.465  1.9727  9.2301  1.9993 220.509 21.394 206.642 23.250 13.86697       31.59542 
1 1 1 6   3  1  f 349.690 15.146 25.991  2.2430 26.138  3.1517  25.841  3.1929 349.372 21.405 347.304 21.820 2.068726       30.56575 
1 1 1 6   3  2  o 598.995 21.983 76.593  5.5763 71.015  7.8493  82.278  7.9235 573.166 32.471 618.592 30.246 -45.42657      44.37556 
1 1 1 6   3  3  o 210.663 23.384 9.5983  2.0509 10.272  2.8910  8.9156  2.9100 216.007 32.620 200.214 35.626 15.79318       48.30444 
1 1 1 6   3  4  o 441.465 15.471 41.433  2.8924 40.751  4.0783  42.123  4.1027 436.358 22.142 444.252 21.807 -7.893250      31.07775 
1 1 1 6   3  5  o 425.774 15.460 38.529  2.7875 38.900  3.9292  38.152  3.9553 426.493 21.828 422.292 22.194 4.200806       31.12960 
1 1 1 6   3  6  o 392.134 15.597 32.667  2.5901 30.066  3.6300  35.364  3.6969 374.793 22.981 406.842 21.533 -32.04807      31.49324 
1 1 1 6   3  7  o 382.312 15.804 31.036  2.5588 31.814  3.6196  30.259  3.6178 385.913 22.242 376.246 22.813 9.666595       31.86115 
1 1 1 6   3  8  f 254.298 16.271 13.782  1.7431 12.716  2.4431  14.887  2.4877 243.253 24.030 263.595 22.501 -20.34190      32.92028 
1 1 1 6   3  9  o 632.736 16.018 84.936  4.2923 85.556  6.0607  84.312  6.0797 634.442 22.557 629.788 22.795 4.653992       32.06950 
1 1 1 6   3  10 o 480.727 18.295 49.041  3.7246 48.326  4.5332  50.526  6.5338 476.948 22.444 485.845 31.934 -8.897064      39.03189 
1 1 1 6   3  11 o 1071.69 24.694 244.112 11.207 248.210 15.739  239.897 15.962 1078.72 34.453 1060.25 35.550 18.46704       49.50579 
1 1 1 6   3  12 o 1655.69 20.445 582.026 14.335 599.282 20.261  564.729 20.285 1677.92 28.514 1628.56 29.413 49.36255       40.96519 
1 1 1 6   3  13 o 411.653 16.209 35.948  2.8257 33.160  3.9484  38.876  4.0457 394.239 23.760 427.143 22.444 -32.90338      32.68464 
1 1 1 6   3  14 o 677.976 16.456 97.535  4.7248 90.615  6.6337  104.661 6.7312 652.703 23.999 701.642 22.653 -48.93854      33.00197 
1 1 1 6   3  15 o 393.306 16.466 32.831  2.7426 33.238  3.8533  32.413  3.9046 394.616 23.159 389.589 23.780 5.027039       33.19367 
1 1 1 6   3  16 o 280.504 17.682 16.774  2.0897 16.684  2.9463  16.865  2.9644 278.768 25.230 280.287 25.245 -1.518372      35.69107 
1 1 1 6   3  17 o 419.796 24.207 37.649  4.2852 26.563  5.8902  50.115  6.2458 349.186 40.589 483.359 30.671 -134.1726      50.87412 
1 1 1 6   3  18 o 340.060 34.248 25.048  4.8650 25.048  4.8650  0.0000  0.0000 340.060 34.248 ?       ?      0.000000       34.24765 
1 1 1 6   3  19 o 217.879 26.890 10.303  2.4285 8.1006  3.3429  12.764  3.5340 189.586 42.667 240.899 35.723 -51.31306      55.64661 
1 1 1 6   3  20 o 423.531 17.133 38.173  3.0729 40.050  4.3380  36.283  4.3536 432.178 23.793 410.986 25.135 21.19183       34.61027 
1 1 1 6   3  21 o 301.666 17.733 19.455  2.2555 20.042  3.1815  18.862  3.1980 304.817 24.863 295.436 25.820 9.380554       35.84446 
1 1 1 6   3  22 o 548.646 19.671 64.302  4.5705 55.861  7.9455  68.477  5.5876 504.333 37.469 565.164 23.346 -60.83020      44.14691 
1 1 1 6   3  23 o 452.209 19.580 43.779  3.7497 54.708  6.7338  38.867  4.5144 500.055 31.965 423.840 25.266 76.21518       40.74463 
1 1 1 6   3  24 o 379.278 25.312 31.227  4.0423 32.412  5.7435  30.064  5.6903 381.786 35.946 367.006 37.122 14.78015       51.67396 
1 1 1 6   3  25 o 356.379 25.080 27.660  3.7610 0.0000  0.0000  27.660  3.7610 ?       ?      356.379 25.080 0.000000       25.07998 
1 1 1 6   3  26 o 502.315 19.928 54.358  4.2392 53.054  7.4582  54.980  5.1524 485.406 36.550 503.152 24.180 -17.74576      43.82434 
1 1 1 6   4  0  o 611.334 15.339 79.434  3.9711 79.820  5.5754  79.036  5.6574 611.706 21.522 608.607 21.950 3.098755       30.74096 
1 1 1 6   4  1  o 453.476 15.164 43.712  2.9122 44.672  4.0701  42.705  4.1686 457.620 21.002 447.266 22.008 10.35361       30.42104 
1 1 1 6   4  2  o 561.039 21.714 67.185  5.1592 62.237  7.2359  72.300  7.3580 536.593 31.988 579.141 30.105 -42.54852      43.92609 
1 1 1 6   4  3  o 575.916 22.046 70.822  5.3770 66.472  7.5210  75.369  7.6903 554.468 32.168 591.008 30.833 -36.53967      44.55836 
1 1 1 6   4  4  o 456.237 15.422 44.249  2.9797 41.117  4.1774  47.494  4.2515 438.238 22.585 471.831 21.277 -33.59344      31.02935 
1 1 1 6   4  5  o 426.763 15.472 38.707  2.7962 37.189  3.9213  40.277  3.9883 416.905 22.291 434.565 21.672 -17.66013      31.08938 
1 1 1 6   4  6  o 287.903 15.926 17.663  1.9342 18.953  2.7181  16.340  2.7531 297.472 21.726 275.759 23.808 21.71350       32.23114 
1 1 1 6   4  7  f 361.967 15.712 27.818  2.4084 29.786  3.3852  25.801  3.4273 373.501 21.492 347.245 23.443 26.25583       31.80424 
1 1 1 6   4  8  o 698.073 16.135 103.425 4.7700 109.155 6.7432  97.687  6.7485 716.401 22.226 677.546 23.519 38.85498       32.35992 
1 1 1 6   4  9  o 807.737 23.354 138.709 7.9888 133.965 11.322  143.412 11.274 792.071 33.755 819.779 32.473 -27.70764      46.83865 
1 1 1 6   4  10 o 372.534 15.988 29.435  2.5224 28.421  3.5520  30.467  3.5827 365.007 23.098 378.040 22.479 -13.03366      32.23093 
1 1 1 6   4  11 o 1387.53 26.785 409.488 15.739 399.968 22.114  419.261 22.405 1368.16 38.168 1400.91 37.766 -32.74280      53.69366 
1 1 1 6   4  12 o 296.861 16.652 18.753  2.0850 17.785  2.9210  19.758  2.9770 288.267 24.150 304.043 23.298 -15.77606      33.55606 
1 1 1 6   4  13 o 720.594 16.459 110.161 5.0228 100.550 7.0519  120.057 7.1558 687.677 24.215 751.641 22.481 -63.96466      33.04134 
1 1 1 6   4  14 o 876.832 16.945 163.167 6.2923 157.782 8.8640  168.637 8.9338 861.212 24.304 890.445 23.691 -29.23322      33.94039 
1 1 1 6   4  15 o 559.362 16.327 66.405  3.8676 70.728  5.4848  62.129  5.4546 576.691 22.458 540.350 23.837 36.34027       32.74989 
1 1 1 6   4  16 f 739.560 16.708 116.111 5.2330 114.135 7.3504  118.143 7.4519 732.289 23.702 745.049 23.618 -12.75958      33.46015 
1 1 1 6   4  17 o 445.009 18.954 42.079  3.5720 43.404  4.3614  39.380  6.2253 451.025 22.909 427.403 34.693 23.62274       41.57463 
1 1 1 6   4  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   4  19 o 339.733 25.222 24.793  3.6029 25.584  5.3093  24.119  4.9052 342.327 37.223 332.767 35.349 9.560791       51.33281 
1 1 1 6   4  20 f 515.394 19.553 56.619  4.2678 64.657  7.4826  52.743  5.1958 546.702 32.464 496.466 24.713 50.23578       40.80022 
1 1 1 6   4  21 o 321.264 20.852 22.134  2.8216 30.125  5.0885  18.586  3.3906 371.918 32.637 292.796 27.673 79.12192       42.78954 
1 1 1 6   4  22 o 287.132 21.351 17.736  2.5777 20.027  4.6301  16.707  3.1030 300.720 37.146 277.380 26.748 23.33975       45.77436 
1 1 1 6   4  23 o 128.112 31.088 3.7112  1.6696 0.0000  3.0421  5.3109  1.9972 96.043  41.340 153.475 31.775 -57.43233      52.14091 
1 1 1 6   4  24 o 529.386 35.519 62.045  7.9168 62.045  7.9168  0.0000  0.0000 529.386 35.519 ?       ?      0.000000       35.51864 
1 1 1 6   4  25 o 391.239 24.806 33.300  4.0888 0.0000  0.0000  33.300  4.0888 ?       ?      391.239 24.806 0.000000       24.80625 
1 1 1 6   4  26 o 388.954 20.540 32.715  3.3714 36.763  5.9565  30.807  4.0895 404.550 35.116 375.110 25.902 29.43979       43.63538 
1 1 1 6   5  0  o 301.034 17.434 19.349  2.2131 16.361  3.7326  20.968  2.7483 273.683 32.862 312.880 20.861 -39.19678      38.92433 
1 1 1 6   5  1  o 480.384 21.286 49.240  4.3304 47.846  6.0515  50.703  6.1993 470.702 30.523 484.653 30.357 -13.95102      43.04886 
1 1 1 6   5  2  o 563.149 17.793 67.518  4.2434 68.343  7.2528  67.088  5.2323 562.835 30.543 560.545 22.042 2.290222       37.66551 
1 1 1 6   5  3  o 383.798 22.139 31.559  3.5830 24.049  4.9430  39.874  5.2012 331.533 35.773 429.943 28.731 -98.41052      45.88225 
1 1 1 6   5  4  o 165.255 17.918 5.8803  1.2339 6.7608  1.6810  4.8519  1.8167 176.464 23.045 147.691 30.069 28.77295       37.88393 
1 1 1 6   5  5  o 450.521 15.429 43.133  2.9436 43.288  4.1252  42.972  4.2017 450.553 21.620 448.832 22.106 1.721008       30.92054 
1 1 1 6   5  6  o 539.408 15.643 61.805  3.5734 59.320  5.0136  64.371  5.0944 527.570 22.440 549.662 21.885 -22.09155      31.34519 
1 1 1 6   5  7  o 433.560 15.595 39.906  2.8634 36.762  4.0131  43.167  4.0870 414.883 22.930 450.409 21.426 -35.52573      31.38255 
1 1 1 6   5  8  o 914.225 16.763 177.413 6.4901 177.554 9.1421  177.269 9.2151 913.486 23.632 912.713 23.841 0.7732544      33.56869 
1 1 1 6   5  9  o 541.042 22.420 62.210  5.1371 62.686  7.2607  61.734  7.2691 541.189 31.820 536.998 32.112 4.191040       45.20695 
1 1 1 6   5  10 o 748.349 18.862 118.856 5.9778 124.373 7.3042  107.665 10.402 765.146 22.542 710.326 34.581 54.82056       41.27903 
1 1 1 6   5  11 o 568.202 18.426 68.509  4.4337 65.374  7.5781  70.140  5.4671 552.870 32.509 574.630 22.466 -21.76001      39.51669 
1 1 1 6   5  12 o 1810.30 24.693 696.719 18.931 669.585 32.766  710.315 23.194 1767.13 43.783 1826.14 29.991 -59.01318      53.07017 
1 1 1 6   5  13 o 620.478 18.832 81.728  4.9485 77.749  8.5054  83.765  6.0843 602.626 33.459 627.779 22.885 -25.15265      40.53719 
1 1 1 6   5  14 o 672.828 19.084 96.137  5.4377 100.854 9.4671  93.814  6.6427 687.232 32.529 664.138 23.618 23.09418       40.19870 
1 1 1 6   5  15 o 815.978 19.532 141.455 6.7494 133.952 11.700  145.198 8.2629 791.154 34.920 826.066 23.620 -34.91187      42.15797 
1 1 1 6   5  16 o 722.830 19.270 111.014 5.8989 126.914 10.312  103.279 7.1920 770.636 31.596 696.476 24.384 74.16010       39.91056 
1 1 1 6   5  17 o 536.959 23.499 61.383  5.3437 72.002  7.6468  51.247  7.4706 579.531 31.273 487.476 36.451 92.05518       48.02789 
1 1 1 6   5  18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   5  19 o 544.235 19.455 63.063  4.4839 63.345  7.8092  62.924  5.4766 541.323 34.241 542.894 23.821 -1.571289      41.71182 
1 1 1 6   5  20 o 261.038 22.497 14.662  2.4627 12.368  4.2950  15.785  3.0058 233.965 44.982 270.096 26.625 -36.13121      52.27089 
1 1 1 6   5  21 o 304.615 21.320 19.923  2.7330 21.072  4.8519  19.389  3.3076 308.908 37.882 299.394 26.356 9.513916       46.14846 
1 1 1 6   5  22 o 302.406 21.039 19.657  2.6776 17.834  4.6538  20.559  3.2738 282.470 40.023 308.296 25.298 -25.82602      47.34806 
1 1 1 6   5  23 o 335.324 20.858 24.205  2.9473 20.977  5.1719  25.757  3.5867 304.900 41.102 344.828 24.725 -39.92841      47.96545 
1 1 1 6   5  24 o 555.769 24.131 66.668  5.6794 69.818  8.1489  63.692  7.9199 562.362 34.382 536.615 35.043 25.74677       49.09305 
1 1 1 6   5  25 o 344.345 25.086 25.848  3.6331 0.0000  0.0000  25.848  3.6331 ?       ?      344.345 25.086 0.000000       25.08619 
1 1 1 6   5  26 o 140.399 30.280 4.4959  1.7475 5.6360  3.1123  3.9710  2.1117 154.241 44.917 131.045 36.630 23.19632       57.95889 
1 1 1 6   6  0  o 644.115 21.467 88.541  5.8556 88.390  8.1771  88.701  8.3892 641.145 30.116 642.028 30.855 -0.8833618     43.11628 
1 1 1 6   6  1  o 562.890 21.358 67.616  5.0912 68.382  7.1500  66.828  7.2512 563.153 30.089 556.428 30.893 6.725037       43.12490 
1 1 1 6   6  2  o 251.415 22.599 13.609  2.3804 0.0000  0.0000  13.609  2.3804 ?       ?      251.415 22.599 0.000000       22.59866 
1 1 1 6   6  3  o 510.576 31.453 56.346  6.7679 0.0000  0.0000  56.346  6.7679 ?       ?      510.576 31.453 0.000000       31.45343 
1 1 1 6   6  4  o 262.707 18.715 14.770  2.0685 14.999  3.5149  14.648  2.5585 262.053 32.359 260.840 23.411 1.212769       39.93990 
1 1 1 6   6  5  o 908.900 19.146 175.863 7.3696 178.182 12.671  174.678 9.0596 910.143 32.874 904.561 23.650 5.581299       40.49685 
1 1 1 6   6  6  o 507.476 18.196 54.759  3.9104 50.130  6.6941  57.157  4.8180 482.190 32.979 517.975 21.964 -35.78455      39.62398 
1 1 1 6   6  7  o 533.782 18.161 60.537  4.1053 69.382  7.0788  56.054  5.0393 569.128 29.471 513.090 23.192 56.03748       37.50184 
1 1 1 6   6  8  o 916.440 19.388 178.404 7.5245 184.497 12.957  175.304 9.2426 929.179 32.929 907.666 24.045 21.51324       40.77346 
1 1 1 6   6  9  o 291.544 23.415 18.184  2.8666 19.087  3.9651  17.194  4.1491 297.474 31.976 281.512 35.598 15.96219       47.85115 
1 1 1 6   6  10 o 1157.48 36.042 286.062 17.667 0.0000  0.0000  286.062 17.667 ?       ?      1157.48 36.042 0.000000       36.04226 
1 1 1 6   6  11 o 826.938 19.217 145.137 6.7297 144.765 11.640  145.323 8.2478 823.942 33.359 826.984 23.550 -3.042053      40.83466 
1 1 1 6   6  12 o 508.001 18.503 54.769  3.9806 61.972  6.8981  51.174  4.8741 538.486 30.373 490.701 23.455 47.78525       38.37503 
1 1 1 6   6  13 o 1287.27 21.500 352.065 11.720 354.486 20.286  350.852 14.360 1287.37 37.210 1283.95 26.409 3.416138       45.62871 
1 1 1 6   6  14 f 639.513 19.004 86.854  5.1467 86.017  8.8445  87.283  6.3285 633.696 33.072 640.611 23.327 -6.915283      40.47109 
1 1 1 6   6  15 o 512.360 18.839 55.761  4.0877 61.953  7.1028  52.694  4.9985 537.684 31.329 497.615 23.719 40.06857       39.29498 
1 1 1 6   6  16 o 372.139 19.328 29.505  3.0356 25.485  5.1447  31.652  3.7599 343.056 35.946 384.977 23.170 -41.92062      42.76615 
1 1 1 6   6  17 o 437.146 33.649 41.154  6.1815 41.154  6.1815  0.0000  0.0000 437.146 33.649 ?       ?      0.000000       33.64897 
1 1 1 6   6  18 o 538.664 33.548 62.494  7.6149 0.0000  0.0000  62.494  7.6149 ?       ?      538.664 33.548 0.000000       33.54781 
1 1 1 6   6  19 o 645.292 19.477 88.670  5.3226 83.127  9.3149  91.357  6.4857 619.754 35.641 654.178 23.411 -34.42432      42.64213 
1 1 1 6   6  20 o 257.542 22.233 14.271  2.4012 19.660  4.3831  11.961  2.8701 299.474 35.234 234.069 29.617 65.40477       46.02875 
1 1 1 6   6  21 o 470.528 19.696 47.252  3.9248 48.203  6.9566  46.808  4.7536 469.975 35.208 466.793 24.129 3.181915       42.68298 
1 1 1 6   6  22 f 318.109 20.713 21.737  2.7751 23.462  4.9178  20.931  3.3614 325.956 36.239 310.917 25.761 15.03888       44.46269 
1 1 1 6   6  23 o 198.985 32.288 8.8464  2.6276 6.9680  3.5552  11.107  3.9007 172.740 47.240 219.523 43.496 -46.78328      64.21417 
1 1 1 6   6  24 o 354.447 24.544 27.261  3.6615 26.465  5.3551  27.959  5.0176 343.837 37.379 355.229 33.759 -11.39264      50.36718 
1 1 1 6   6  25 o 264.828 27.043 15.425  2.9903 0.0000  0.0000  15.425  2.9903 ?       ?      264.828 27.043 0.000000       27.04263 
1 1 1 6   6  26 o 248.779 23.174 13.527  2.4134 16.778  4.5038  12.217  2.8585 269.316 40.763 234.069 29.492 35.24706       50.31296 
1 1 1 6   7  0  o 633.029 21.139 85.508  5.6670 82.587  7.8661  88.659  8.1713 619.730 29.972 642.080 30.051 -22.35016      42.44264 
1 1 1 6   7  1  o 204.898 22.674 9.0758  1.9345 9.2060  2.7575  8.9497  2.7146 204.131 33.026 201.211 33.001 2.920013       46.68850 
1 1 1 6   7  2  o 615.426 21.887 80.875  5.7043 0.0000  0.0000  80.875  5.7043 ?       ?      615.426 21.887 0.000000       21.88692 
1 1 1 6   7  3  o 457.102 21.477 44.590  4.1575 43.849  5.8057  45.370  5.9563 450.491 30.613 458.195 30.876 -7.704224      43.47980 
1 1 1 6   7  4  o 353.618 17.839 26.679  2.6628 26.526  4.5984  26.756  3.2661 349.862 31.369 353.455 21.928 -3.592896      38.27370 
1 1 1 6   7  5  o 553.411 18.028 65.149  4.2252 62.063  7.1906  66.776  5.2217 536.659 31.780 559.647 22.032 -22.98792      38.67048 
1 1 1 6   7  6  o 567.706 18.130 68.517  4.3588 58.410  7.4257  73.830  5.3839 520.534 33.870 588.815 21.591 -68.28125      40.16642 
1 1 1 6   7  7  o 187.791 21.883 7.6031  1.7077 6.9452  2.9347  7.9399  2.0997 176.273 40.204 191.163 26.663 -14.89069      48.24161 
1 1 1 6   7  8  o 541.588 18.261 62.279  4.1882 65.907  7.2303  60.447  5.1380 554.891 30.891 533.159 22.756 21.73193       38.36747 
1 1 1 6   7  9  o 415.799 22.744 36.850  3.9898 32.086  5.5551  41.926  5.7339 386.190 34.324 442.451 30.794 -56.26080      46.11263 
1 1 1 6   7  10 o 571.019 32.488 69.731  7.8238 0.0000  0.0000  69.731  7.8238 ?       ?      571.019 32.488 0.000000       32.48804 
1 1 1 6   7  11 o 276.977 19.746 16.367  2.3010 17.587  3.8648  15.697  2.8639 285.417 32.557 270.547 25.289 14.86972       41.22516 
1 1 1 6   7  12 o 968.883 19.849 199.307 8.1442 198.384 14.037  199.775 9.9994 964.057 34.381 969.363 24.358 -5.306519      42.13512 
1 1 1 6   7  13 o 905.864 19.673 174.259 7.5471 179.551 13.035  171.590 9.2565 916.995 33.566 898.214 24.335 18.78033       41.45868 
1 1 1 6   7  14 o 1011.22 20.176 217.257 8.6404 218.884 14.894  216.432 10.608 1011.65 34.764 1008.43 24.840 3.226807       42.72663 
1 1 1 6   7  15 o 1029.90 20.311 225.432 8.8585 235.637 15.320  220.306 10.858 1049.31 34.476 1017.11 25.207 32.20032       42.70845 
1 1 1 6   7  16 o 661.198 23.454 93.051  6.5674 88.181  9.2410  98.021  9.3353 640.932 34.169 677.008 32.560 -36.07629      47.19854 
1 1 1 6   7  17 o 539.671 23.290 62.010  5.3229 64.956  7.5124  59.040  7.5432 550.011 32.396 523.859 34.189 26.15204       47.09951 
1 1 1 6   7  18 o 678.896 23.765 98.269  6.8325 0.0000  0.0000  98.269  6.8325 ?       ?      678.896 23.765 0.000000       23.76460 
1 1 1 6   7  19 o 465.395 19.532 46.131  3.8496 41.867  6.5781  48.352  4.7474 439.027 35.690 475.837 23.559 -36.81009      42.76417 
1 1 1 6   7  20 o 350.611 20.193 26.309  2.9856 21.813  5.0659  28.701  3.6956 314.464 38.867 365.478 24.011 -51.01364      45.68562 
1 1 1 6   7  21 o 435.133 19.680 40.415  3.6266 42.002  6.3132  39.633  4.4306 438.824 34.242 429.298 24.471 9.526794       42.08794 
1 1 1 6   7  22 o 530.215 19.615 60.090  4.4043 62.045  7.6595  59.125  5.3832 532.737 34.130 524.649 24.229 8.088074       41.85551 
1 1 1 6   7  23 o 351.189 25.370 26.762  3.7478 25.455  5.3095  28.060  5.2909 337.562 37.790 355.590 35.613 -18.02792      51.92653 
1 1 1 6   7  24 o 584.939 24.139 73.886  5.9795 83.212  8.6606  65.391  8.2659 614.516 33.405 542.718 36.171 71.79816       49.23647 
1 1 1 6   7  25 o 331.861 25.687 24.075  3.5820 0.0000  0.0000  24.075  3.5820 ?       ?      331.861 25.687 0.000000       25.68738 
1 1 1 6   7  26 o 234.399 23.828 12.045  2.3325 8.3459  4.0340  13.902  2.8588 184.941 50.213 250.692 27.372 -65.75075      57.18937 
1 1 1 6   8  0  o 184.654 29.938 7.5118  2.2610 7.5118  2.2610  0.0000  0.0000 184.654 29.938 ?       ?      0.000000       29.93786 
1 1 1 6   8  1  o 662.845 21.312 93.781  5.9824 92.285  8.3418  95.366  8.5842 654.952 30.075 665.660 30.451 -10.70813      42.79942 
1 1 1 6   8  2  o 700.750 31.133 105.763 9.2390 0.0000  0.0000  105.763 9.2390 ?       ?      700.750 31.133 0.000000       31.13274 
1 1 1 6   8  3  o 458.792 17.519 44.799  3.4038 39.012  5.7970  47.845  4.2051 424.316 32.508 473.605 20.966 -49.28876      38.68227 
1 1 1 6   8  4  o 331.461 17.997 23.450  2.5168 23.386  4.2894  23.483  3.1080 328.419 31.216 331.000 22.302 -2.580658      38.36440 
1 1 1 6   8  5  f 708.758 18.260 106.851 5.4809 102.751 9.3771  108.979 6.7549 691.791 32.007 714.983 22.309 -23.19202      39.01488 
1 1 1 6   8  6  o 688.835 18.303 100.861 5.3394 100.347 9.2057  101.121 6.5545 684.428 31.760 689.053 22.462 -4.624817      38.90043 
1 1 1 6   8  7  o 493.077 22.301 51.725  4.6567 0.0000  0.0000  51.725  4.6567 ?       ?      493.077 22.301 0.000000       22.30056 
1 1 1 6   8  8  o 606.529 18.320 78.104  4.7057 76.006  8.0821  79.180  5.7879 595.838 32.149 610.292 22.394 -14.45325      39.17949 
1 1 1 6   8  9  o 827.617 23.180 145.571 8.1244 138.504 11.449  152.739 11.531 805.655 33.557 846.305 32.172 -40.65070      46.48768 
1 1 1 6   8  10 o 545.413 32.291 63.628  7.4252 0.0000  0.0000  63.628  7.4252 ?       ?      545.413 32.291 0.000000       32.29087 
1 1 1 6   8  11 o 617.715 18.672 80.979  4.8846 78.752  8.3915  82.120  6.0071 606.869 32.773 621.707 22.816 -14.83734      39.93282 
1 1 1 6   8  12 o 566.848 18.679 68.202  4.4841 70.861  7.7576  66.868  5.4951 575.585 31.951 560.915 23.133 14.67059       39.44618 
1 1 1 6   8  13 o 477.586 18.819 48.428  3.8063 50.679  6.6105  47.311  4.6554 486.238 32.286 471.709 23.305 14.52875       39.81842 
1 1 1 6   8  14 o 674.175 18.991 96.535  5.4220 99.137  9.2920  95.191  6.6764 681.258 32.207 668.918 23.568 12.33990       39.90943 
1 1 1 6   8  15 o 395.310 19.331 33.203  3.2361 34.445  5.4585  32.529  4.0185 400.118 32.495 390.129 24.446 9.988129       40.66357 
1 1 1 6   8  16 o 344.209 23.825 25.342  3.4516 25.179  4.8082  25.515  4.9579 341.386 33.698 343.508 34.550 -2.121948      48.26217 
1 1 1 6   8  17 f 322.460 24.368 22.277  3.3032 19.882  4.5434  24.962  4.8108 302.303 36.209 339.698 33.894 -37.39481      49.59737 
1 1 1 6   8  18 o 307.584 25.102 20.324  3.2413 0.0000  0.0000  20.324  3.2413 ?       ?      307.584 25.102 0.000000       25.10222 
1 1 1 6   8  19 o 224.109 23.347 10.839  2.1833 7.0007  3.6804  12.924  2.7120 175.766 48.063 244.285 26.647 -68.51935      54.95544 
1 1 1 6   8  20 o 212.124 27.229 9.8114  2.3896 10.858  3.4621  8.8586  3.3024 220.464 38.481 198.102 40.724 22.36227       56.02919 
1 1 1 6   8  21 o 371.966 20.040 29.630  3.1452 22.436  5.3650  33.397  3.8823 317.625 40.830 394.198 23.360 -76.57248      47.04043 
1 1 1 6   8  22 o 358.842 20.299 27.636  3.0721 30.880  5.4433  26.119  3.7215 374.763 34.691 347.483 25.467 27.28046       43.03513 
1 1 1 6   8  23 o 348.092 25.723 26.325  3.7650 27.147  5.2629  25.463  5.3883 349.330 36.096 337.155 38.424 12.17532       52.71931 
1 1 1 6   8  24 o 342.616 24.982 25.518  3.5998 25.369  5.1754  25.658  5.0103 336.561 36.917 339.225 35.398 -2.664459      51.14548 
1 1 1 6   8  25 o 423.234 19.973 38.556  3.5798 40.347  6.2367  37.676  4.3717 424.655 34.991 415.807 24.942 8.848389       42.97053 
1 1 1 6   8  26 o 275.257 22.339 16.507  2.5816 22.940  4.6365  13.617  3.1079 318.845 34.908 246.848 30.370 71.99721       46.26993 
1 1 1 6   9  0  o 326.403 28.183 23.042  3.8575 23.042  3.8575  0.0000  0.0000 326.403 28.183 ?       ?      0.000000       28.18287 
1 1 1 6   9  1  o 540.080 30.124 62.958  6.8626 0.0000  0.0000  62.958  6.8626 ?       ?      540.080 30.124 0.000000       30.12440 
1 1 1 6   9  2  o 272.474 21.729 15.947  2.4865 16.286  3.4585  15.585  3.5775 273.554 30.366 267.059 32.288 6.495880       44.32363 
1 1 1 6   9  3  f 1055.68 23.586 238.137 10.545 226.704 14.744  250.105 15.086 1025.06 33.965 1077.19 33.071 -52.12561      47.40525 
1 1 1 6   9  4  o 687.268 17.977 100.498 5.2321 100.791 8.9661  100.347 6.4428 685.057 30.905 685.890 22.181 -0.8331909     38.04107 
1 1 1 6   9  5  o 928.454 18.991 183.390 7.4671 175.898 12.794  187.261 9.1957 904.865 33.388 937.127 23.171 -32.26221      40.64018 
1 1 1 6   9  6  o 484.595 17.950 49.900  3.6838 46.979  6.3053  51.414  4.5391 467.340 32.052 491.481 21.808 -24.14078      38.76787 
1 1 1 6   9  7  o 974.334 19.399 201.704 8.0044 205.605 13.766  199.712 9.8386 980.496 33.152 968.636 23.984 11.86029       40.91866 
1 1 1 6   9  8  o 517.757 18.126 56.906  3.9743 56.684  6.8417  57.019  4.8826 514.490 31.554 517.942 22.260 -3.451843      38.61533 
1 1 1 6   9  9  o 507.367 22.244 54.689  4.7795 54.897  6.7239  54.478  6.7951 506.524 31.502 504.501 31.970 2.023193       44.88249 
1 1 1 6   9  10 o 799.302 33.417 136.248 11.312 0.0000  0.0000  136.248 11.312 ?       ?      799.302 33.417 0.000000       33.41719 
1 1 1 6   9  11 o 1301.72 21.319 359.874 11.752 365.400 20.289  357.084 14.417 1307.86 36.632 1295.66 26.275 12.20435       45.08081 
1 1 1 6   9  12 o 110.011 29.803 2.6638  1.4229 3.6498  2.6641  2.2703  1.6830 131.901 42.194 104.480 33.549 27.42154       53.90572 
1 1 1 6   9  13 o 427.835 18.909 38.867  3.4260 34.206  5.8594  41.289  4.2231 398.504 35.077 440.104 22.736 -41.59940      41.80121 
1 1 1 6   9  14 o 413.975 19.197 36.404  3.3655 35.046  5.8292  37.083  4.1218 403.333 34.458 416.841 23.445 -13.50745      41.67723 
1 1 1 6   9  15 f 580.086 19.053 71.493  4.6806 74.258  8.0729  70.093  5.7446 588.431 32.522 573.857 23.638 14.57428       40.20513 
1 1 1 6   9  16 o 550.128 23.563 64.427  5.4895 58.231  7.6698  70.936  7.8605 520.194 35.019 574.991 32.413 -54.79724      47.71764 
1 1 1 6   9  17 o 317.167 35.581 21.848  4.6968 0.0000  0.0000  21.848  4.6968 ?       ?      317.167 35.581 0.000000       35.58128 
1 1 1 6   9  18 o 389.054 24.753 32.437  4.0571 0.0000  0.0000  32.437  4.0571 ?       ?      389.054 24.753 0.000000       24.75315 
1 1 1 6   9  19 o 521.074 19.354 57.844  4.2708 47.259  7.3429  63.255  5.2501 465.697 37.552 544.266 22.778 -78.56903      43.91996 
1 1 1 6   9  20 o 548.096 23.807 64.303  5.5259 66.892  7.8949  61.817  7.7372 555.055 33.747 533.231 34.447 21.82397       48.22275 
1 1 1 6   9  21 o 375.612 19.939 30.215  3.1603 30.822  5.5102  29.917  3.8579 375.032 35.102 372.662 24.583 2.370148       42.85455 
1 1 1 6   9  22 o 185.557 25.679 7.5496  1.9638 2.4471  3.4371  10.023  2.3928 122.551 47.095 213.926 27.014 -91.37413      54.29270 
1 1 1 6   9  23 o 139.683 36.815 4.4659  2.2085 1.4422  2.9205  8.5045  3.3753 106.489 42.648 191.462 42.713 -84.97352      60.35962 
1 1 1 6   9  24 f 568.985 34.158 71.601  8.1925 0.0000  0.0000  71.601  8.1925 ?       ?      568.985 34.158 0.000000       34.15753 
1 1 1 6   9  25 o 159.172 28.878 5.7083  1.8749 6.8887  3.2229  5.1045  2.3051 170.280 44.278 148.249 36.870 22.03091       57.61900 
1 1 1 6   9  26 o 411.785 20.085 36.570  3.5025 37.026  6.1560  36.352  4.2591 404.770 36.298 407.944 24.770 -3.174194      43.94469 
1 1 1 6   10 0  o 245.150 20.996 12.920  2.1588 13.975  2.9527  11.708  3.1642 253.627 27.955 230.578 33.375 23.04866       43.53542 
1 1 1 6   10 1  o 548.386 29.853 64.868  6.9068 0.0000  0.0000  64.868  6.9068 ?       ?      548.386 29.853 0.000000       29.85264 
1 1 1 6   10 2  o 341.141 20.807 24.913  2.9916 24.885  4.1446  24.944  4.3226 339.190 29.136 339.275 30.408 -0.8508301E-01 42.11337 
1 1 1 6   10 3  o 479.966 20.964 49.123  4.2612 50.609  5.9468  47.555  6.1091 484.767 29.102 469.350 30.908 15.41608       42.45255 
1 1 1 6   10 4  o 413.708 21.379 36.572  3.7328 38.497  5.2310  34.575  5.3282 422.817 29.397 400.034 31.711 22.78287       43.24060 
1 1 1 6   10 5  o 1170.88 24.582 292.471 12.189 299.278 17.157  285.533 17.321 1180.26 34.325 1152.27 35.496 27.99866       49.37786 
1 1 1 6   10 6  o 299.901 22.724 19.254  2.8646 19.281  3.9795  19.225  4.1270 298.531 31.975 297.831 33.290 0.7004700      46.15818 
1 1 1 6   10 7  o 415.183 17.996 36.603  3.1642 38.722  5.4159  35.504  3.8989 424.896 30.297 407.950 22.657 16.94644       37.83184 
1 1 1 6   10 8  o 232.530 24.479 11.626  2.3743 10.377  3.3002  12.965  3.4185 217.304 37.199 244.118 33.989 -26.81413      50.38882 
1 1 1 6   10 9  o 557.092 22.440 65.937  5.2942 64.827  7.3637  67.124  7.6170 550.570 31.716 560.177 32.244 -9.607666      45.22861 
1 1 1 6   10 10 o 1096.89 24.822 255.785 11.530 0.0000  0.0000  255.785 11.530 ?       ?      1096.89 24.822 0.000000       24.82180 
1 1 1 6   10 11 o 1263.17 21.080 338.876 11.277 349.850 19.469  333.336 13.833 1279.81 35.921 1251.80 26.095 28.00928       44.39888 
1 1 1 6   10 12 o 607.808 18.687 78.425  4.8101 69.948  8.2038  82.866  5.9378 571.337 34.061 624.426 22.454 -53.08942      40.79639 
1 1 1 6   10 13 o 435.235 18.857 40.226  3.4756 32.979  5.8972  44.084  4.3022 390.994 36.020 455.362 22.309 -64.36816      42.36931 
1 1 1 6   10 14 o 624.329 18.957 82.799  5.0121 84.659  8.6512  81.858  6.1492 628.531 32.614 620.257 23.410 8.274414       40.14594 
1 1 1 6   10 15 o 660.901 19.125 92.809  5.3529 97.771  9.2434  90.305  6.5660 676.184 32.279 651.309 23.805 24.87561       40.10772 
1 1 1 6   10 16 o 328.853 24.768 23.166  3.4241 22.726  4.8026  23.620  4.8831 323.708 35.623 330.117 35.486 -6.409088      50.28139 
1 1 1 6   10 17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   10 18 o 660.852 19.338 92.952  5.4121 91.116  9.2639  93.903  6.6685 650.052 33.767 663.362 23.737 -13.31049      41.27602 
1 1 1 6   10 19 o 235.608 22.121 11.953  2.1814 13.553  3.6829  11.088  2.7073 247.857 36.151 225.463 29.029 22.39445       46.36367 
1 1 1 6   10 20 o 421.562 24.073 38.180  4.2799 43.971  6.1280  32.665  5.9801 449.974 32.374 385.948 37.043 64.02609       49.19615 
1 1 1 6   10 21 o 291.303 20.813 18.231  2.5506 17.489  4.3578  18.618  3.1458 280.752 37.596 293.326 25.580 -12.57382      45.47342 
1 1 1 6   10 22 o 586.807 19.592 73.679  4.8687 76.693  8.4342  72.173  5.9625 591.770 33.795 579.155 24.310 12.61505       41.63048 
1 1 1 6   10 23 o 577.380 24.281 71.960  5.9371 70.115  8.3202  73.873  8.4747 563.197 35.058 578.341 34.763 -15.14447      49.37144 
1 1 1 6   10 24 o 243.743 28.388 13.105  2.8754 0.0000  0.0000  13.105  2.8754 ?       ?      243.743 28.388 0.000000       28.38833 
1 1 1 6   10 25 o 189.328 24.733 7.9121  1.9356 4.1971  3.3964  9.6993  2.3557 137.850 47.732 209.087 27.251 -71.23679      54.96326 
1 1 1 6   10 26 o 121.411 31.314 3.3828  1.6206 4.3193  2.9824  2.9904  1.9304 137.241 44.712 115.178 35.796 22.06292       57.27582 
1 1 1 6   11 0  o 452.820 29.216 44.259  5.5726 0.0000  0.0000  44.259  5.5726 ?       ?      452.820 29.216 0.000000       29.21555 
1 1 1 6   11 1  o 523.283 20.079 58.387  4.4497 54.978  6.1241  62.200  6.4764 505.156 28.746 537.467 28.556 -32.31158      40.51854 
1 1 1 6   11 2  o 471.514 20.338 47.398  4.0612 45.290  5.5954  49.746  5.9036 458.431 28.971 480.487 29.151 -22.05579      41.09824 
1 1 1 6   11 3  o 372.976 20.760 29.739  3.2661 32.764  4.5359  26.481  4.7066 390.168 27.631 349.501 32.160 40.66626       42.39956 
1 1 1 6   11 4  o 535.578 21.144 61.104  4.7957 62.138  6.6619  59.991  6.9091 537.827 29.360 527.984 31.037 9.843140       42.72327 
1 1 1 6   11 5  o 747.405 22.033 118.947 6.9740 120.057 9.7500  117.785 9.9795 748.909 30.742 741.513 31.779 7.397095       44.21536 
1 1 1 6   11 6  f 575.033 21.618 70.336  5.2645 66.896  7.2946  74.075  7.6054 558.632 30.955 587.995 30.648 -29.36249      43.56091 
1 1 1 6   11 7  o 272.389 23.430 15.897  2.6764 16.644  3.6783  15.056  3.9016 277.423 31.888 262.894 35.989 14.52921       48.08412 
1 1 1 6   11 8  o 731.744 31.741 114.200 9.8361 114.200 9.8361  0.0000  0.0000 731.744 31.741 ?       ?      0.000000       31.74108 
1 1 1 6   11 9  o 491.669 32.396 51.763  6.7077 0.0000  0.0000  51.763  6.7077 ?       ?      491.669 32.396 0.000000       32.39650 
1 1 1 6   11 10 o 367.257 18.968 28.704  2.9401 27.485  5.0110  29.343  3.6307 357.424 33.496 370.878 23.233 -13.45389      40.76483 
1 1 1 6   11 11 o 294.495 19.727 18.496  2.4461 19.831  4.1649  17.793  3.0222 303.136 32.975 288.180 25.012 14.95657       41.38757 
1 1 1 6   11 12 o 881.732 19.334 165.087 7.2192 163.264 12.420  166.017 8.8718 874.378 33.543 883.586 23.709 -9.208191      41.07588 
1 1 1 6   11 13 o 749.425 19.010 119.284 6.0334 119.486 10.383  119.181 7.4134 747.833 32.785 748.523 23.387 -0.6892090     40.27183 
1 1 1 6   11 14 o 237.335 21.149 12.070  2.1034 11.886  3.5945  12.165  2.5940 232.554 37.795 237.529 26.224 -4.975006      46.00228 
1 1 1 6   11 15 o 647.078 19.019 88.969  5.2119 81.152  8.9355  92.999  6.4164 614.635 34.468 661.055 22.920 -46.42053      41.39252 
1 1 1 6   11 16 o 729.269 23.558 113.245 7.2756 102.056 10.206  124.807 10.375 689.109 35.088 763.776 32.074 -74.66650      47.53897 
1 1 1 6   11 17 o 578.211 33.788 71.965  8.2375 0.0000  0.0000  71.965  8.2375 ?       ?      578.211 33.788 0.000000       33.78795 
1 1 1 6   11 18 o 235.210 22.827 11.911  2.2451 12.496  3.7691  11.590  2.7951 237.475 38.820 230.760 29.259 6.714859       48.61176 
1 1 1 6   11 19 o 620.829 19.280 82.145  5.0691 91.077  8.7240  77.593  6.2284 650.138 31.686 602.203 24.422 47.93524       40.00568 
1 1 1 6   11 20 o 308.294 25.133 20.513  3.2528 20.513  4.6110  20.514  4.5895 305.189 36.394 305.252 36.208 -0.6338501E-01 51.33791 
1 1 1 6   11 21 o 202.773 23.037 8.9216  1.9431 8.0675  3.3330  9.3614  2.3915 187.761 42.861 206.613 28.058 -18.85179      51.22793 
1 1 1 6   11 22 o 351.855 20.036 26.598  2.9731 31.904  5.2302  24.065  3.6138 381.105 32.724 333.020 25.826 48.08572       41.68736 
1 1 1 6   11 23 o 438.162 34.869 42.542  6.4167 42.542  6.4167  0.0000  0.0000 438.162 34.869 ?       ?      0.000000       34.86949 
1 1 1 6   11 24 o 253.325 28.041 14.142  2.9578 0.0000  0.0000  14.142  2.9578 ?       ?      253.325 28.041 0.000000       28.04094 
1 1 1 6   11 25 o 295.729 21.204 18.981  2.6379 20.856  4.7116  18.125  3.1837 302.570 37.580 286.999 26.494 15.57117       45.98017 
1 1 1 6   11 26 o 575.152 19.919 71.344  4.8518 67.112  8.3736  73.483  5.9529 545.289 36.472 581.206 24.185 -35.91797      43.76196 
1 1 1 6   12 0  o 261.782 31.268 14.957  3.3979 0.0000  0.0000  14.957  3.3979 ?       ?      261.782 31.268 0.000000       31.26831 
1 1 1 6   12 1  o 459.751 19.912 45.056  3.8768 43.883  5.3557  46.348  5.6191 451.387 28.158 463.775 28.752 -12.38733      40.24326 
1 1 1 6   12 2  o 620.984 20.600 82.202  5.4175 85.976  7.4941  78.070  7.8405 633.310 27.942 601.931 30.861 31.37903       41.63166 
1 1 1 6   12 3  o 413.763 20.494 36.468  3.5910 33.736  4.9303  39.556  5.2408 395.609 29.644 428.690 29.039 -33.08148      41.49715 
1 1 1 6   12 4  o 865.800 30.822 160.637 11.301 160.637 11.301  0.0000  0.0000 865.800 30.822 ?       ?      0.000000       30.82231 
1 1 1 6   12 5  o 589.029 21.266 73.824  5.3048 75.928  7.3967  71.596  7.6120 596.066 29.302 577.637 31.233 18.42950       42.82690 
1 1 1 6   12 6  o 636.025 21.638 86.024  5.8282 76.935  8.0810  95.878  8.4136 599.145 31.964 670.209 29.643 -71.06403      43.59386 
1 1 1 6   12 7  o 242.182 33.554 12.761  3.3489 12.761  3.3489  0.0000  0.0000 242.182 33.554 ?       ?      0.000000       33.55379 
1 1 1 6   12 8  o 157.156 39.375 5.4919  2.6152 5.4919  2.6152  0.0000  0.0000 157.156 39.375 ?       ?      0.000000       39.37488 
1 1 1 6   12 9  o 490.500 32.218 51.511  6.6551 0.0000  0.0000  51.511  6.6551 ?       ?      490.500 32.218 0.000000       32.21758 
1 1 1 6   12 10 o 295.907 19.071 18.663  2.3771 18.324  3.9428  18.856  2.9795 291.366 32.508 296.895 23.900 -5.529968      40.34853 
1 1 1 6   12 11 o 1056.99 24.487 237.584 10.961 238.388 15.370  236.752 15.635 1056.59 34.351 1052.77 35.069 3.817505       49.09013 
1 1 1 6   12 12 o 1094.59 20.218 254.513 9.3720 250.759 16.107  256.434 11.524 1083.00 35.118 1097.83 24.786 -14.83142      42.98438 
1 1 1 6   12 13 o 408.121 18.954 35.379  3.2760 33.956  5.5486  36.140  4.0589 397.195 33.294 411.501 23.388 -14.30634      40.68741 
1 1 1 6   12 14 o 338.064 19.971 24.374  2.8464 19.750  4.7863  26.904  3.5406 301.003 38.424 354.742 23.704 -53.73953      45.14789 
1 1 1 6   12 15 o 402.656 19.189 34.454  3.2721 41.208  5.6877  31.114  4.0003 438.056 30.856 381.371 24.906 56.68527       39.65351 
1 1 1 6   12 16 o 419.015 34.098 37.866  5.9981 37.866  5.9981  0.0000  0.0000 419.015 34.098 ?       ?      0.000000       34.09783 
1 1 1 6   12 17 o 661.943 33.621 94.295  9.3940 0.0000  0.0000  94.295  9.3940 ?       ?      661.943 33.621 0.000000       33.62136 
1 1 1 6   12 18 o 347.999 20.469 25.894  3.0033 25.007  5.1412  26.353  3.7004 338.424 36.447 350.236 25.115 -11.81174      44.26243 
1 1 1 6   12 19 o 399.092 19.884 33.969  3.3607 35.937  5.7841  32.966  4.1292 406.401 33.918 391.569 25.032 14.83258       42.15437 
1 1 1 6   12 20 o 393.279 24.132 33.269  3.9997 27.025  5.6329  39.620  5.6803 349.894 38.661 427.011 31.637 -77.11725      49.95530 
1 1 1 6   12 21 o 429.979 19.503 39.505  3.5513 40.663  6.1889  38.937  4.3362 430.981 34.190 425.186 24.182 5.794342       41.87707 
1 1 1 6   12 22 o 505.480 19.663 54.729  4.2092 55.109  7.2571  54.536  5.1671 500.282 34.464 503.091 24.252 -2.809509      42.14172 
1 1 1 6   12 23 f 303.401 37.993 20.719  4.7746 20.719  4.7746  0.0000  0.0000 303.401 37.993 ?       ?      0.000000       37.99314 
1 1 1 6   12 24 f 316.529 27.196 21.971  3.6102 0.0000  0.0000  21.971  3.6102 ?       ?      316.529 27.196 0.000000       27.19623 
1 1 1 6   12 25 o 92.411  32.737 1.6951  1.6034 3.0301  2.9038  1.1096  1.9231 121.548 43.941 88.499  34.876 33.04884       56.09966 
1 1 1 6   12 26 o 114.029 30.865 2.9736  1.5269 5.8450  2.7605  1.7079  1.8328 157.143 41.035 95.097  34.828 62.04598       53.82288 
1 1 1 6   13 0  o 314.000 19.649 21.095  2.5996 20.919  3.5815  21.291  3.7794 311.158 27.461 313.631 28.776 -2.472931      39.77637 
1 1 1 6   13 1  o 433.120 19.709 39.971  3.6152 43.037  5.0010  36.615  5.2320 447.545 26.504 411.757 30.215 35.78778       40.19264 
1 1 1 6   13 2  o 701.005 20.633 104.709 6.1254 101.334 8.4733  108.403 8.8651 687.489 29.104 710.960 29.444 -23.47076      41.39999 
1 1 1 6   13 3  o 280.270 20.973 16.823  2.4712 18.096  3.4052  15.406  3.5920 289.485 28.131 265.949 32.574 23.53604       43.03985 
1 1 1 6   13 4  o 597.163 20.855 75.892  5.2740 71.344  7.2846  80.902  7.6455 576.704 29.930 615.040 29.353 -38.33618      41.92156 
1 1 1 6   13 5  o 266.471 21.693 15.205  2.4268 14.159  3.3310  16.388  3.5428 255.458 31.455 275.198 30.935 -19.73929      44.11783 
1 1 1 6   13 6  o 962.627 22.895 197.099 9.3335 210.903 13.045  182.624 13.359 993.907 30.993 924.067 34.138 69.83948       46.10857 
1 1 1 6   13 7  o 578.359 30.262 71.509  7.3864 71.509  7.3864  0.0000  0.0000 578.359 30.262 ?       ?      0.000000       30.26232 
1 1 1 6   13 8  o 1115.40 34.711 265.623 16.396 0.0000  0.0000  265.623 16.396 ?       ?      1115.40 34.711 0.000000       34.71066 
1 1 1 6   13 9  o 344.506 32.059 25.518  4.6235 0.0000  0.0000  25.518  4.6235 ?       ?      344.506 32.059 0.000000       32.05861 
1 1 1 6   13 10 o 845.639 23.145 151.983 8.2885 148.870 11.600  155.230 11.847 835.379 32.789 853.034 32.795 -17.65497      46.37537 
1 1 1 6   13 11 o 1055.58 24.377 236.977 10.897 230.443 15.254  243.788 15.573 1038.59 34.682 1068.31 34.422 -29.71960      48.86403 
1 1 1 6   13 12 o 636.754 18.578 86.096  5.0098 87.595  8.5708  85.317  6.1745 640.575 31.594 633.393 23.019 7.181763       39.09039 
1 1 1 6   13 13 o 121.299 29.846 3.2645  1.5227 4.8145  2.2951  2.0459  2.0350 147.055 36.910 104.483 36.896 42.57163       52.18874 
1 1 1 6   13 14 o 340.498 19.561 24.720  2.8088 26.609  4.7861  23.728  3.4690 351.253 32.545 332.867 24.787 18.38565       40.90923 
1 1 1 6   13 15 o 565.534 23.040 68.081  5.5181 67.281  7.7432  68.906  7.8657 559.760 32.808 566.473 32.930 -6.713318      46.48357 
1 1 1 6   13 16 o 164.547 32.143 5.9918  2.1595 4.5369  2.9190  7.7507  3.2096 144.397 43.866 186.019 41.766 -41.62228      60.56856 
1 1 1 6   13 17 o 640.578 33.576 88.385  9.0766 0.0000  0.0000  88.385  9.0766 ?       ?      640.578 33.576 0.000000       33.57560 
1 1 1 6   13 18 o 408.982 19.638 35.637  3.4014 36.344  5.8387  35.273  4.1848 409.191 34.001 405.486 24.485 3.705078       41.89991 
1 1 1 6   13 19 o 516.132 19.403 56.811  4.2410 53.015  7.2208  58.811  5.2400 493.589 34.766 524.243 23.602 -30.65408      42.02085 
1 1 1 6   13 20 f 546.786 23.633 64.071  5.4725 62.556  7.6249  65.679  7.8591 535.991 33.764 549.166 33.959 -13.17548      47.88805 
1 1 1 6   13 21 o 448.643 19.791 43.039  3.7602 43.029  6.5480  43.044  4.5930 442.685 35.219 446.919 24.359 -4.233612      42.82244 
1 1 1 6   13 22 o 508.859 19.669 55.493  4.2385 56.495  7.2071  54.963  5.2406 506.555 33.790 504.754 24.517 1.800659       41.74716 
1 1 1 6   13 23 o 470.193 33.965 48.926  6.7177 48.926  6.7177  0.0000  0.0000 470.193 33.965 ?       ?      0.000000       33.96520 
1 1 1 6   13 24 o 230.247 28.897 11.767  2.7556 0.0000  0.0000  11.767  2.7556 ?       ?      230.247 28.897 0.000000       28.89710 
1 1 1 6   13 25 o 212.641 24.884 9.9723  2.1984 9.8400  3.8045  10.039  2.6937 202.630 45.454 211.091 31.061 -8.460999      55.05374 
1 1 1 6   14 0  o 184.663 22.158 7.3793  1.6982 6.6643  2.3183  8.2071  2.4946 173.187 32.810 192.936 31.627 -19.74924      45.57186 
1 1 1 6   14 1  o 458.329 19.356 44.730  3.7569 42.679  5.1810  47.005  5.4557 445.589 27.592 467.687 27.669 -22.09796      39.07484 
1 1 1 6   14 2  o 626.188 20.302 83.501  5.3839 87.641  7.4657  79.014  7.7715 640.002 27.545 607.043 30.230 32.95935       40.89739 
1 1 1 6   14 3  o 384.880 20.629 31.620  3.3502 33.010  4.6093  30.063  4.8779 391.987 27.949 373.327 31.137 18.66022       41.84135 
1 1 1 6   14 4  o 544.235 20.560 63.002  4.7387 67.435  6.5522  58.142  6.8615 562.046 27.528 520.366 31.281 41.67981       41.66903 
1 1 1 6   14 5  o 377.572 20.593 30.395  3.2804 28.710  4.5367  32.241  4.7489 365.571 29.557 387.608 29.144 -22.03708      41.50860 
1 1 1 6   14 6  o 400.861 21.205 34.244  3.5871 33.358  4.9403  35.232  5.2167 394.389 29.799 405.241 30.623 -10.85181      42.72923 
1 1 1 6   14 7  o 642.098 30.043 87.873  8.1693 87.873  8.1693  0.0000  0.0000 642.098 30.043 ?       ?      0.000000       30.04270 
1 1 1 6   14 8  o 849.255 32.409 153.817 11.656 0.0000  0.0000  153.817 11.656 ?       ?      849.255 32.409 0.000000       32.40891 
1 1 1 6   14 9  o 565.347 21.749 67.897  5.2070 63.874  7.2412  72.205  7.4930 546.497 31.420 581.305 30.544 -34.80774      43.81989 
1 1 1 6   14 10 o 968.439 23.600 199.386 9.6788 213.640 13.541  184.495 13.840 1000.80 31.949 929.315 35.166 71.48438       47.51185 
1 1 1 6   14 11 o 640.369 22.459 87.170  6.0908 86.679  8.5149  87.684  8.7159 637.359 31.547 640.142 32.255 -2.782898      45.11694 
1 1 1 6   14 12 o 682.514 22.718 99.070  6.5663 102.518 9.2192  95.519  9.3547 692.907 31.418 668.542 33.041 24.36578       45.59385 
1 1 1 6   14 13 o 224.952 27.053 10.940  2.5256 13.409  3.5028  8.2657  3.6448 248.042 34.261 191.986 45.521 56.05699       56.97327 
1 1 1 6   14 14 o 593.278 18.877 74.792  4.7429 68.676  8.0163  78.085  5.8830 565.394 33.631 605.696 22.935 -40.30188      40.70741 
1 1 1 6   14 15 o 674.188 23.191 96.774  6.6213 91.542  9.2883  102.179 9.4413 652.889 33.709 690.996 32.264 -38.10730      46.66058 
1 1 1 6   14 16 o 260.561 38.723 14.920  4.1430 0.0000  0.0000  14.920  4.1430 ?       ?      260.561 38.723 0.000000       38.72325 
1 1 1 6   14 17 o 508.841 33.954 55.930  7.2747 0.0000  0.0000  55.930  7.2747 ?       ?      508.841 33.954 0.000000       33.95369 
1 1 1 6   14 18 o 806.438 19.623 138.603 6.7016 129.389 11.476  143.371 8.2555 773.727 35.023 818.945 23.804 -45.21832      42.34686 
1 1 1 6   14 19 o 201.246 24.464 8.8005  2.0421 6.9067  3.3934  9.8757  2.5569 173.886 45.540 212.285 29.215 -38.39938      54.10604 
1 1 1 6   14 20 o 382.498 20.111 31.343  3.2463 31.122  5.4974  31.462  4.0225 376.824 34.843 382.022 25.002 -5.198761      42.88503 
1 1 1 6   14 21 o 360.382 20.108 27.877  3.0565 26.759  5.1725  28.476  3.7888 348.104 35.588 362.989 24.795 -14.88547      43.37403 
1 1 1 6   14 22 o 322.286 25.675 22.600  3.4752 23.795  4.8247  21.312  5.0100 326.912 35.416 307.436 39.386 19.47537       52.96701 
1 1 1 6   14 23 o 260.535 28.084 14.936  3.0496 17.053  4.2386  12.663  4.3911 274.832 37.388 232.404 46.242 42.42793       59.46568 
1 1 1 6   14 24 o 379.441 25.482 31.455  4.0710 0.0000  0.0000  31.455  4.0710 ?       ?      379.441 25.482 0.000000       25.48217 
1 1 1 6   14 25 o 267.529 22.337 15.615  2.5075 24.214  4.4481  11.610  3.0359 328.694 32.376 226.533 32.583 102.1610       45.93267 
1 1 1 6   15 0  o 270.962 19.955 15.722  2.2737 11.600  3.1168  20.410  3.3242 229.997 32.940 307.910 25.728 -77.91327      41.79709 
1 1 1 6   15 1  o 773.250 20.155 127.324 6.6000 119.773 9.1478  135.521 9.5317 747.753 28.888 795.580 28.291 -47.82715      40.43341 
1 1 1 6   15 2  o 864.460 20.953 159.115 7.6707 167.348 10.633  150.178 11.077 884.506 28.386 837.008 31.249 47.49811       42.21702 
1 1 1 6   15 3  o 501.369 20.133 53.469  4.2748 48.282  5.8814  59.279  6.2242 474.321 29.425 526.057 28.040 -51.73553      40.64547 
1 1 1 6   15 4  o 816.067 21.414 141.656 7.4008 148.015 10.270  134.787 10.674 832.580 29.127 793.884 31.750 38.69586       43.08641 
1 1 1 6   15 5  o 1433.43 25.628 437.560 15.557 445.617 21.720  429.070 22.295 1442.79 35.547 1415.01 37.205 27.77515       51.45670 
1 1 1 6   15 6  o 400.201 29.307 34.318  4.9324 34.318  4.9324  0.0000  0.0000 400.201 29.307 ?       ?      0.000000       29.30657 
1 1 1 6   15 7  o 789.257 21.924 132.352 7.3279 131.954 10.155  132.785 10.585 786.823 30.476 789.086 31.675 -2.262939      43.95563 
1 1 1 6   15 8  o 413.983 31.157 36.733  5.4223 0.0000  0.0000  36.733  5.4223 ?       ?      413.983 31.157 0.000000       31.15668 
1 1 1 6   15 9  o 645.575 21.836 88.544  5.9698 84.235  8.2757  93.219  8.6201 628.595 31.088 661.310 30.780 -32.71533      43.74743 
1 1 1 6   15 10 o 770.256 22.582 126.105 7.3661 119.748 10.203  133.025 10.645 749.132 32.161 789.634 31.834 -40.50195      45.25231 
1 1 1 6   15 11 f 512.778 22.322 55.901  4.8474 46.892  6.7065  65.757  7.0144 467.175 34.134 554.458 29.984 -87.28284      45.43327 
1 1 1 6   15 12 o 1158.78 24.878 285.893 12.208 291.053 17.091  280.517 17.444 1166.20 34.607 1144.41 35.994 21.79810       49.93164 
1 1 1 6   15 13 o 594.708 22.671 75.258  5.7099 76.037  7.9437  74.426  8.2130 595.588 31.607 588.886 33.066 6.702515       45.74295 
1 1 1 6   15 14 o 651.738 23.187 90.429  6.3998 88.238  8.8670  92.811  9.2464 641.266 32.760 657.567 33.312 -16.30133      46.72216 
1 1 1 6   15 15 o 725.227 32.733 112.627 10.053 112.627 10.053  0.0000  0.0000 725.227 32.733 ?       ?      0.000000       32.73279 
1 1 1 6   15 16 o 389.543 24.363 32.483  3.9989 0.0000  0.0000  32.483  3.9989 ?       ?      389.543 24.363 0.000000       24.36282 
1 1 1 6   15 17 o 664.575 33.147 95.031  9.3288 0.0000  0.0000  95.031  9.3288 ?       ?      664.575 33.147 0.000000       33.14664 
1 1 1 6   15 18 o 412.538 19.504 36.280  3.4075 41.851  5.9276  33.531  4.1643 439.465 32.072 394.979 25.025 44.48605       40.67953 
1 1 1 6   15 19 o 530.404 19.187 60.024  4.3098 54.865  7.2976  62.787  5.3407 501.758 34.554 541.507 23.289 -39.74963      41.66960 
1 1 1 6   15 20 o 308.567 21.016 20.459  2.7299 18.132  4.6069  21.719  3.3890 285.218 39.176 316.909 25.467 -31.69089      46.72567 
1 1 1 6   15 21 o 123.411 32.222 3.4397  1.7022 3.6751  2.7613  3.2953  2.1618 130.447 43.048 122.183 37.865 8.264160       57.33123 
1 1 1 6   15 22 o 510.114 34.216 57.525  7.3488 57.525  7.3488  0.0000  0.0000 510.114 34.216 ?       ?      0.000000       34.21584 
1 1 1 6   15 23 o 495.805 24.652 53.229  5.1761 0.0000  0.0000  53.229  5.1761 ?       ?      495.805 24.652 0.000000       24.65182 
1 1 1 6   15 24 o 258.296 22.065 14.530  2.3905 12.422  4.0464  15.660  2.9627 229.953 43.136 266.599 26.596 -36.64670      50.67659 
1 1 1 6   15 25 o 446.199 20.021 42.979  3.7832 42.851  6.4087  43.048  4.6869 435.887 35.014 443.523 25.056 -7.636414      43.05509 
1 1 1 6   16 0  o 648.416 19.332 89.485  5.3085 93.701  7.4032  85.022  7.6161 662.053 26.405 630.141 28.540 31.91156       38.88109 
1 1 1 6   16 1  f 526.301 19.259 58.927  4.2925 63.300  5.9808  54.281  6.1645 544.445 25.939 502.817 29.074 41.62808       38.96346 
1 1 1 6   16 2  o 322.629 20.307 22.231  2.7603 20.449  3.7960  24.231  4.0211 307.861 29.476 335.531 28.571 -27.67004      41.05045 
1 1 1 6   16 3  o 279.759 21.218 16.744  2.4951 14.169  3.4341  19.623  3.6313 255.303 32.500 301.799 28.760 -46.49635      43.39773 
1 1 1 6   16 4  o 1365.39 24.769 396.972 14.322 420.082 20.011  372.701 20.507 1401.24 33.722 1318.59 36.724 82.64880       49.85821 
1 1 1 6   16 5  o 838.071 30.022 149.817 10.655 149.817 10.655  0.0000  0.0000 838.071 30.022 ?       ?      0.000000       30.02210 
1 1 1 6   16 6  o 425.093 28.896 38.675  5.1711 38.675  5.1711  0.0000  0.0000 425.093 28.896 ?       ?      0.000000       28.89597 
1 1 1 6   16 7  o 388.051 31.058 32.303  5.0611 0.0000  0.0000  32.303  5.0611 ?       ?      388.051 31.058 0.000000       31.05771 
1 1 1 6   16 8  o 450.682 21.069 43.143  4.0213 39.889  5.5337  46.785  5.8537 431.564 30.474 467.672 29.710 -36.10873      42.56004 
1 1 1 6   16 9  o 515.425 21.472 56.442  4.6868 56.862  6.4671  55.978  6.8018 515.703 29.738 511.352 31.564 4.350281       43.36626 
1 1 1 6   16 10 o 286.704 23.035 17.589  2.7732 15.830  3.8198  19.549  4.0327 270.113 34.156 300.964 32.137 -30.85135      46.89778 
1 1 1 6   16 11 o 1160.75 24.584 286.763 12.085 285.785 16.857  287.798 17.334 1155.92 34.435 1159.69 35.295 -3.770142      49.30980 
1 1 1 6   16 12 o 663.082 22.408 93.534  6.2924 91.287  8.7179  95.977  9.0913 653.592 31.497 670.066 32.038 -16.47394      44.92739 
1 1 1 6   16 13 o 368.414 23.712 29.018  3.6799 19.009  4.9931  40.918  5.4444 294.456 41.167 436.714 29.613 -142.2585      50.71099 
1 1 1 6   16 14 o 407.914 32.275 35.826  5.5300 35.826  5.5300  0.0000  0.0000 407.914 32.275 ?       ?      0.000000       32.27541 
1 1 1 6   16 15 f 580.789 23.064 71.842  5.6728 70.872  7.8584  72.898  8.1973 574.343 32.441 582.274 33.382 -7.931152      46.54922 
1 1 1 6   16 16 o 205.970 28.988 9.2518  2.4586 0.0000  0.0000  9.2518  2.4586 ?       ?      205.970 28.988 0.000000       28.98789 
1 1 1 6   16 17 o 595.007 23.469 75.615  5.9137 0.0000  0.0000  75.615  5.9137 ?       ?      595.007 23.469 0.000000       23.46908 
1 1 1 6   16 18 o 423.258 19.383 38.202  3.4743 36.601  5.9114  39.047  4.2943 409.875 34.374 426.495 23.872 -16.62039      41.84980 
1 1 1 6   16 19 o 548.679 19.158 64.251  4.4516 54.413  7.4837  69.639  5.5379 498.951 35.652 570.249 22.932 -71.29877      42.39007 
1 1 1 6   16 20 o 398.643 19.777 33.971  3.3387 31.976  5.5817  35.082  4.1662 381.518 34.934 403.384 24.504 -21.86597      42.67168 
1 1 1 6   16 21 o 114.387 31.486 2.9425  1.5734 1.3332  2.6099  3.8613  1.9721 101.629 40.444 130.413 34.984 -28.78411      53.47523 
1 1 1 6   16 22 o 452.446 34.235 45.362  6.5110 45.362  6.5110  0.0000  0.0000 452.446 34.235 ?       ?      0.000000       34.23454 
1 1 1 6   16 23 f 279.069 27.068 17.103  3.1587 0.0000  0.0000  17.103  3.1587 ?       ?      279.069 27.068 0.000000       27.06757 
1 1 1 6   16 24 f 243.678 23.398 13.001  2.3849 9.8411  3.9846  14.764  2.9770 201.804 47.426 258.207 27.655 -56.40265      54.90031 
1 1 1 6   16 25 o 406.428 20.260 35.686  3.4871 38.997  5.8179  33.830  4.3563 416.820 33.235 392.227 26.380 24.59323       42.43188 
1 1 1 6   17 0  o 833.478 20.018 147.823 7.0656 146.603 9.8559  149.112 10.134 828.059 28.106 834.953 28.661 -6.893494      40.14204 
1 1 1 6   17 1  o 564.936 19.174 67.863  4.5873 61.087  6.3574  75.224  6.6258 533.964 28.214 593.678 26.354 -59.71429      38.60776 
1 1 1 6   17 2  o 554.363 19.469 65.332  4.5707 67.340  6.3577  63.183  6.5757 561.838 26.720 543.178 28.688 18.65979       39.20444 
1 1 1 6   17 3  o 661.979 19.981 93.140  5.6015 88.637  7.7588  98.044  8.0954 644.537 28.425 677.918 28.198 -33.38123      40.03895 
1 1 1 6   17 4  o 844.373 21.154 151.542 7.5642 152.335 10.472  150.677 10.938 845.115 29.260 840.189 30.741 4.925415       42.43995 
1 1 1 6   17 5  o 349.581 29.070 26.223  4.2646 26.223  4.2646  0.0000  0.0000 349.581 29.070 ?       ?      0.000000       29.06999 
1 1 1 6   17 6  o 484.065 30.201 50.135  6.1602 0.0000  0.0000  50.135  6.1602 ?       ?      484.065 30.201 0.000000       30.20091 
1 1 1 6   17 7  o 306.203 32.011 20.210  4.0896 0.0000  0.0000  20.210  4.0896 ?       ?      306.203 32.011 0.000000       32.01094 
1 1 1 6   17 8  o 998.952 22.847 212.099 9.6653 205.050 13.381  219.789 13.976 980.387 32.229 1014.94 32.515 -34.55731      45.78190 
1 1 1 6   17 9  o 414.268 21.454 36.564  3.7510 44.369  5.2252  28.264  5.3880 455.671 27.202 361.907 35.617 93.76480       44.81593 
1 1 1 6   17 10 o 244.961 24.095 12.888  2.4673 11.150  3.3441  14.964  3.6550 225.519 36.242 262.536 33.649 -37.01697      49.45462 
1 1 1 6   17 11 o 677.934 21.984 97.739  6.3115 102.952 8.7497  92.084  9.1129 694.533 29.748 656.300 32.788 38.23291       44.27145 
1 1 1 6   17 12 o 181.352 28.788 7.1888  2.1370 8.3902  2.9511  5.8641  3.0988 194.628 37.159 162.221 43.995 32.40698       57.58824 
1 1 1 6   17 13 o 359.940 23.186 27.697  3.5155 30.492  4.8943  24.717  5.0530 376.395 30.979 337.606 35.893 38.78937       47.41315 
1 1 1 6   17 14 o 507.443 31.662 55.310  6.7701 55.310  6.7701  0.0000  0.0000 507.443 31.662 ?       ?      0.000000       31.66186 
1 1 1 6   17 15 o 546.832 32.952 64.334  7.5952 0.0000  0.0000  64.334  7.5952 ?       ?      546.832 32.952 0.000000       32.95168 
1 1 1 6   17 16 o 337.037 24.268 24.371  3.4407 24.895  4.7025  23.767  5.0475 338.768 33.205 330.044 36.736 8.724121       49.51858 
1 1 1 6   17 17 o 296.975 36.095 19.345  4.4462 0.0000  0.0000  19.345  4.4462 ?       ?      296.975 36.095 0.000000       36.09492 
1 1 1 6   17 18 o 199.413 25.163 8.6556  2.0777 12.511  3.6729  6.8410  2.5196 237.029 37.864 174.633 35.284 62.39554       51.75544 
1 1 1 6   17 19 o 423.147 19.566 38.241  3.5062 41.327  6.1291  36.740  4.2747 435.115 33.520 413.046 24.548 22.06882       41.54793 
1 1 1 6   17 20 o 190.780 25.037 7.9584  1.9740 6.4398  3.2618  8.8360  2.4796 167.166 45.054 199.849 30.243 -32.68283      54.26376 
1 1 1 6   17 21 o 99.842  31.386 2.1635  1.4793 3.6545  2.4827  1.3427  1.8420 128.374 40.697 91.039  34.597 37.33585       53.41492 
1 1 1 6   17 22 o 632.136 33.929 88.371  9.0496 88.371  9.0496  0.0000  0.0000 632.136 33.929 ?       ?      0.000000       33.92861 
1 1 1 6   17 23 o 267.500 27.451 15.764  3.0657 0.0000  0.0000  15.764  3.0657 ?       ?      267.500 27.451 0.000000       27.45142 
1 1 1 6   17 24 o 197.035 26.729 8.6403  2.1727 15.620  3.7571  5.1333  2.6632 262.240 34.681 147.390 41.113 114.8503       53.78762 
1 1 1 6   17 25 o 175.571 26.610 6.8928  1.9165 6.3528  3.0935  7.2292  2.4416 162.623 43.896 177.261 33.757 -14.63878      55.37535 
1 1 1 6   18 0  o 275.977 19.635 16.277  2.2799 14.243  3.1652  18.470  3.2866 256.438 29.695 292.982 26.785 -36.54315      39.99091 
1 1 1 6   18 1  o 982.655 21.051 205.404 8.7603 206.520 12.251  204.237 12.532 983.175 29.424 977.471 30.274 5.704041       42.21653 
1 1 1 6   18 2  o 418.066 19.350 37.141  3.4258 38.795  4.7521  35.352  4.9433 425.804 26.484 405.975 28.942 19.82928       39.23050 
1 1 1 6   18 3  o 557.614 19.623 66.060  4.6338 64.157  6.4117  68.140  6.7044 547.925 27.722 565.344 28.003 -17.41937      39.40404 
1 1 1 6   18 4  o 343.322 28.251 25.285  4.0710 25.285  4.0710  0.0000  0.0000 343.322 28.251 ?       ?      0.000000       28.25052 
1 1 1 6   18 5  o 735.875 20.733 115.033 6.4610 114.197 8.9412  115.946 9.3468 732.099 28.839 737.507 29.926 -5.407654      41.56054 
1 1 1 6   18 6  o 475.314 29.863 48.333  5.9805 0.0000  0.0000  48.333  5.9805 ?       ?      475.314 29.863 0.000000       29.86268 
1 1 1 6   18 7  o 479.700 20.921 48.881  4.2501 48.963  5.8865  48.791  6.1426 478.512 29.188 477.446 30.540 1.066406       42.24481 
1 1 1 6   18 8  o 245.367 23.126 12.912  2.3747 17.484  3.3273  8.1652  3.3902 285.176 27.909 191.357 42.895 93.81915       51.17520 
1 1 1 6   18 9  o 902.665 22.486 173.230 8.5956 164.878 11.838  182.544 12.501 878.862 31.807 924.719 31.922 -45.85675      45.06326 
1 1 1 6   18 10 o 429.072 21.655 39.240  3.9222 38.808  5.3723  39.734  5.7395 425.409 30.013 430.168 31.730 -4.759521      43.67535 
1 1 1 6   18 11 o 579.404 21.658 71.399  5.3142 74.932  7.3566  67.544  7.6849 592.479 29.320 561.093 32.481 31.38641       43.75646 
1 1 1 6   18 12 o 798.489 22.518 135.696 7.6145 139.407 10.536  131.638 11.017 807.545 30.809 784.130 33.176 23.41559       45.27538 
1 1 1 6   18 13 f 357.174 22.800 27.270  3.4307 24.860  4.6766  30.078  5.0482 339.156 32.977 373.509 32.230 -34.35318      46.11172 
1 1 1 6   18 14 o 346.637 32.157 25.944  4.6668 25.944  4.6668  0.0000  0.0000 346.637 32.157 ?       ?      0.000000       32.15684 
1 1 1 6   18 15 o 209.770 40.412 9.8092  3.4598 0.0000  0.0000  9.8092  3.4598 ?       ?      209.770 40.412 0.000000       40.41208 
1 1 1 6   18 16 o 261.763 35.827 15.044  3.8673 15.044  3.8673  0.0000  0.0000 261.763 35.827 ?       ?      0.000000       35.82714 
1 1 1 6   18 17 o 434.666 23.413 40.516  4.2938 33.840  5.9391  47.827  6.2151 393.648 36.025 470.093 31.400 -76.44470      47.78888 
1 1 1 6   18 18 o 814.398 23.826 142.118 8.2174 131.031 11.387  154.168 11.871 776.909 34.609 843.523 33.231 -66.61438      47.97953 
1 1 1 6   18 19 o 679.137 19.159 98.507  5.5102 92.350  9.3733  101.758 6.8113 650.718 34.133 688.822 23.350 -38.10419      41.35549 
1 1 1 6   18 20 o 242.126 22.567 12.691  2.2873 12.024  4.0398  13.006  2.7750 229.230 43.199 243.921 27.334 -14.69069      51.12045 
1 1 1 6   18 21 o 265.706 39.438 16.019  4.3030 16.019  4.3030  0.0000  0.0000 265.706 39.438 ?       ?      0.000000       39.43760 
1 1 1 6   18 22 o 99.686  31.504 2.1659  1.4887 1.3497  2.3499  2.7130  1.9240 97.753  38.542 111.407 35.880 -13.65403      52.65848 
1 1 1 6   18 23 o 131.261 36.441 3.9799  2.0975 0.0000  0.0000  3.9799  2.0975 ?       ?      131.261 36.441 0.000000       36.44117 
1 1 1 6   18 24 o 200.536 24.316 8.8812  2.0228 9.0461  3.3152  8.7834  2.5532 195.480 41.338 196.685 31.732 -1.204651      52.11281 
1 1 1 6   18 25 o 277.853 22.114 16.849  2.5806 15.259  4.2519  17.776  3.2471 255.606 40.640 283.235 27.414 -27.62897      49.02150 
1 1 1 6   19 0  o 912.284 20.232 176.954 7.8165 181.972 10.943  171.727 11.169 923.398 27.983 896.662 29.413 26.73602       40.59786 
1 1 1 6   19 1  o 514.367 18.870 56.211  4.1105 53.769  5.7276  58.805  5.9027 501.464 27.071 524.562 26.659 -23.09796      37.99378 
1 1 1 6   19 2  o 826.792 20.289 145.271 7.1039 145.009 9.9212  145.547 10.176 824.614 28.410 826.001 29.092 -1.387024      40.66274 
1 1 1 6   19 3  f 450.127 27.472 43.326  5.2117 43.326  5.2117  0.0000  0.0000 450.127 27.472 ?       ?      0.000000       27.47177 
1 1 1 6   19 4  o 460.723 27.552 45.367  5.3510 45.367  5.3510  0.0000  0.0000 460.723 27.552 ?       ?      0.000000       27.55183 
1 1 1 6   19 5  o 749.633 29.964 119.784 9.5123 0.0000  0.0000  119.784 9.5123 ?       ?      749.633 29.964 0.000000       29.96352 
1 1 1 6   19 6  o 512.261 20.410 55.735  4.4276 60.341  6.1401  50.745  6.3905 531.668 27.363 486.828 31.160 44.84000       41.46936 
1 1 1 6   19 7  o 1210.15 23.900 311.428 12.248 326.334 17.044  295.506 17.614 1236.51 32.548 1175.81 35.374 60.69836       48.06958 
1 1 1 6   19 8  o 175.565 27.254 6.7176  1.9606 8.3731  2.8250  5.1793  2.7232 194.929 35.531 152.799 41.161 42.12921       54.37506 
1 1 1 6   19 9  o 903.918 22.378 173.746 8.5662 177.415 11.849  169.729 12.398 911.716 30.690 891.232 32.849 20.48328       44.95468 
1 1 1 6   19 10 o 398.106 21.586 33.801  3.6256 28.606  4.9574  39.775  5.3163 364.391 32.465 430.732 29.319 -66.34073      43.74441 
1 1 1 6   19 11 o 671.431 21.775 95.907  6.1915 92.553  8.5289  99.644  9.0025 658.089 30.603 682.721 31.137 -24.63208      43.65856 
1 1 1 6   19 12 o 622.368 21.804 82.427  5.7468 81.800  7.9205  83.125  8.3509 618.580 30.235 622.473 31.785 -3.893372      43.86863 
1 1 1 6   19 13 o 639.939 30.597 87.594  8.2920 87.594  8.2920  0.0000  0.0000 639.939 30.597 ?       ?      0.000000       30.59680 
1 1 1 6   19 14 o 211.319 43.111 9.9919  3.7274 0.0000  0.0000  9.9919  3.7274 ?       ?      211.319 43.111 0.000000       43.11150 
1 1 1 6   19 15 o 760.089 33.159 124.129 10.674 0.0000  0.0000  124.129 10.674 ?       ?      760.089 33.159 0.000000       33.15889 
1 1 1 6   19 16 o 273.812 36.747 16.491  4.1536 16.491  4.1536  0.0000  0.0000 273.812 36.747 ?       ?      0.000000       36.74717 
1 1 1 6   19 17 o 201.854 30.599 8.9704  2.5337 6.4636  3.4522  11.897  3.7303 168.545 46.736 230.589 39.628 -62.04486      61.27511 
1 1 1 6   19 18 o 360.892 24.255 28.059  3.6854 29.470  5.1791  26.611  5.2456 367.042 33.695 347.799 36.142 19.24292       49.41253 
1 1 1 6   19 19 o 436.864 23.498 41.078  4.3313 40.533  6.0373  41.655  6.2175 430.432 33.381 436.151 33.929 -5.718475      47.59708 
1 1 1 6   19 20 o 555.023 19.043 65.931  4.4760 67.652  7.6181  65.023  5.5315 555.724 32.512 549.561 23.768 6.162903       40.27298 
1 1 1 6   19 21 o 211.268 42.468 10.363  3.6678 10.363  3.6678  0.0000  0.0000 211.268 42.468 ?       ?      0.000000       42.46806 
1 1 1 6   19 22 o 313.033 25.558 21.408  3.3586 0.0000  0.0000  21.408  3.3586 ?       ?      313.033 25.558 0.000000       25.55817 
1 1 1 6   19 23 o 279.507 21.649 16.995  2.5426 8.9687  4.0355  22.278  3.2742 191.751 49.393 319.142 24.411 -127.3917      55.09594 
1 1 1 6   19 24 o 180.348 26.317 7.2629  1.9507 7.8199  3.1016  6.8983  2.5092 181.277 41.321 172.270 35.572 9.006821       54.52301 
1 1 1 6   20 0  o 773.448 19.363 127.108 6.3423 120.277 8.8483  134.326 9.0955 751.006 27.821 793.807 27.056 -42.80115      38.80777 
1 1 1 6   20 1  o 600.888 19.016 76.696  4.8391 79.859  6.7794  73.412  6.9093 612.291 26.145 586.827 27.802 25.46368       38.16467 
1 1 1 6   20 2  o 489.093 26.959 51.109  5.5623 51.109  5.5623  0.0000  0.0000 489.093 26.959 ?       ?      0.000000       26.95884 
1 1 1 6   20 3  o 1285.60 32.819 352.924 17.868 352.924 17.868  0.0000  0.0000 1285.60 32.819 ?       ?      0.000000       32.81930 
1 1 1 6   20 4  o 1311.34 34.131 367.348 18.954 0.0000  0.0000  367.348 18.954 ?       ?      1311.34 34.131 0.000000       34.13100 
1 1 1 6   20 5  o 1006.74 31.500 216.207 13.430 0.0000  0.0000  216.207 13.430 ?       ?      1006.74 31.500 0.000000       31.50017 
1 1 1 6   20 6  o 868.113 21.387 160.132 7.8628 160.161 10.864  160.100 11.394 866.815 29.596 866.362 31.054 0.4537354      42.89890 
1 1 1 6   20 7  o 314.221 21.594 21.082  2.8561 24.092  3.9251  17.695  4.1637 335.138 27.909 285.591 35.169 49.54712       44.89758 
1 1 1 6   20 8  o 257.508 23.629 14.224  2.5480 15.548  3.5329  12.789  3.6784 268.017 31.743 241.659 37.131 26.35789       48.85043 
1 1 1 6   20 9  o 551.625 21.179 64.693  4.9476 63.528  6.8376  65.974  7.1680 544.773 29.750 555.013 30.615 -10.23950      42.68907 
1 1 1 6   20 10 o 528.557 21.694 59.427  4.8560 68.047  6.8343  50.638  6.9012 563.912 28.713 485.193 33.798 78.71884       44.34749 
1 1 1 6   20 11 o 611.838 21.552 79.648  5.5844 75.415  7.6696  84.424  8.1470 593.142 30.638 628.383 30.615 -35.24084      43.31188 
1 1 1 6   20 12 o 147.766 31.235 4.8457  1.8935 3.1906  2.5331  6.9412  2.8504 124.521 41.238 176.229 39.204 -51.70804      56.89938 
1 1 1 6   20 13 o 684.011 30.516 100.105 8.8395 100.105 8.8395  0.0000  0.0000 684.011 30.516 ?       ?      0.000000       30.51566 
1 1 1 6   20 14 o 411.466 33.439 36.570  5.7764 0.0000  0.0000  36.570  5.7764 ?       ?      411.466 33.439 0.000000       33.43918 
1 1 1 6   20 15 o 760.975 22.642 123.535 7.2969 115.232 10.0000 132.992 10.671 732.163 32.251 786.643 32.033 -54.48022      45.45631 
1 1 1 6   20 16 o 946.740 33.062 193.456 13.256 193.456 13.256  0.0000  0.0000 946.740 33.062 ?       ?      0.000000       33.06194 
1 1 1 6   20 17 o 96.548  35.470 1.6424  1.9031 4.4062  2.9569  -0.3120 2.4865 141.582 44.352 85.141  37.009 56.44083       57.76479 
1 1 1 6   20 18 o 476.815 23.299 48.752  4.7047 47.013  6.4602  50.716  6.8652 464.211 33.078 481.896 33.855 -17.68484      47.33157 
1 1 1 6   20 19 f 531.899 23.283 60.762  5.2447 51.125  7.1917  71.710  7.6651 482.272 35.461 573.606 31.677 -91.33389      47.54927 
1 1 1 6   20 20 o 441.310 23.967 42.116  4.4623 33.743  6.1342  51.528  6.5033 388.822 37.728 484.508 31.873 -95.68567      49.38932 
1 1 1 6   20 21 o 348.988 35.152 27.216  5.1245 27.216  5.1245  0.0000  0.0000 348.988 35.152 ?       ?      0.000000       35.15169 
1 1 1 6   20 22 o 377.376 24.773 31.037  3.9372 0.0000  0.0000  31.037  3.9372 ?       ?      377.376 24.773 0.000000       24.77338 
1 1 1 6   20 23 o 324.260 20.674 22.814  2.8242 27.309  4.7304  20.324  3.5206 349.045 32.370 303.054 27.739 45.99124       42.62947 
1 1 1 6   20 24 o 271.684 22.115 16.127  2.5224 17.593  4.1573  15.273  3.1733 276.976 36.317 261.407 29.162 15.56891       46.57627 
1 1 1 6   21 0  f 883.140 19.945 165.713 7.4593 164.401 10.431  167.086 10.671 878.174 28.047 885.227 28.466 -7.053223      39.96210 
1 1 1 6   21 1  o 502.593 26.101 53.930  5.5362 53.930  5.5362  0.0000  0.0000 502.593 26.101 ?       ?      0.000000       26.10058 
1 1 1 6   21 2  o 295.167 28.069 18.728  3.4664 18.728  3.4664  0.0000  0.0000 295.167 28.069 ?       ?      0.000000       28.06870 
1 1 1 6   21 3  o 711.140 28.680 107.767 8.6373 0.0000  0.0000  107.767 8.6373 ?       ?      711.140 28.680 0.000000       28.68012 
1 1 1 6   21 4  o 974.343 30.804 202.480 12.711 0.0000  0.0000  202.480 12.711 ?       ?      974.343 30.804 0.000000       30.80416 
1 1 1 6   21 5  o 1171.92 22.872 291.989 11.351 289.064 15.824  295.091 16.293 1163.75 32.108 1175.64 32.724 -11.88831      45.84571 
1 1 1 6   21 6  o 702.353 20.752 104.814 6.1726 108.352 8.5163  100.898 8.9592 713.074 28.202 687.697 30.763 25.37628       41.73357 
1 1 1 6   21 7  o 79.500  30.353 0.9253  1.4220 2.3245  1.7697  -1.6241 2.3889 106.023 34.437 74.173  33.926 31.85046       48.34183 
1 1 1 6   21 8  o 391.751 21.017 32.717  3.4740 34.338  4.7852  30.911  5.0517 400.270 28.414 379.077 31.760 21.19290       42.61562 
1 1 1 6   21 9  o 815.797 21.756 141.564 7.5163 136.441 10.335  147.317 10.951 799.140 30.538 830.232 31.147 -31.09137      43.61996 
1 1 1 6   21 10 o 720.781 21.675 110.539 6.6163 117.665 9.2125  102.947 9.5081 742.178 29.311 693.542 32.373 48.63623       43.67043 
1 1 1 6   21 11 o 779.566 22.125 129.367 7.3043 135.163 10.129  123.088 10.543 795.056 30.085 758.006 32.842 37.05011       44.53860 
1 1 1 6   21 12 o 959.307 31.908 197.083 12.963 197.083 12.963  0.0000  0.0000 959.307 31.908 ?       ?      0.000000       31.90847 
1 1 1 6   21 13 f 390.578 22.325 32.596  3.6773 32.712  5.0238  32.462  5.3973 389.724 30.687 387.669 33.196 2.054749       45.20697 
1 1 1 6   21 14 o 452.796 32.650 44.246  6.2188 0.0000  0.0000  44.246  6.2188 ?       ?      452.796 32.650 0.000000       32.64986 
1 1 1 6   21 15 o 375.795 23.755 30.290  3.7611 25.192  5.1259  36.236  5.5356 339.577 36.202 409.085 32.213 -69.50806      48.45903 
1 1 1 6   21 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   21 17 o 270.506 25.733 15.856  2.9124 8.4745  3.9165  24.987  4.3560 191.565 48.290 338.709 30.701 -147.1434      57.22355 
1 1 1 6   21 18 o 463.243 23.046 46.033  4.5212 40.494  6.2310  52.190  6.5702 429.795 34.525 489.429 31.873 -59.63419      46.98799 
1 1 1 6   21 19 o 349.050 24.592 26.363  3.6119 26.088  5.0637  26.648  5.1535 343.366 35.327 346.966 35.576 -3.600616      50.13666 
1 1 1 6   21 20 o 562.999 32.480 69.787  7.7112 69.787  7.7112  0.0000  0.0000 562.999 32.480 ?       ?      0.000000       32.48019 
1 1 1 6   21 21 o 139.035 37.143 4.4632  2.2285 0.9495  2.9186  9.3753  3.4509 101.296 41.854 200.430 42.000 -99.13402      59.29399 
1 1 1 6   21 22 o 402.776 24.681 35.388  4.1896 0.0000  0.0000  35.388  4.1896 ?       ?      402.776 24.681 0.000000       24.68106 
1 1 1 6   21 23 o 83.550  30.586 1.2967  1.4132 0.0001  2.2743  2.1122  1.8037 82.390  35.603 100.476 34.785 -18.08624      49.77523 
1 1 1 6   21 24 o 258.351 22.062 14.597  2.3906 12.521  3.7795  15.981  3.0865 230.937 40.100 268.093 27.579 -37.15604      48.66838 
1 1 1 6   22 0  o 598.905 25.930 76.370  6.5766 76.370  6.5766  0.0000  0.0000 598.905 25.930 ?       ?      0.000000       25.92986 
1 1 1 6   22 1  o 260.231 28.320 14.599  3.0706 14.599  3.0706  0.0000  0.0000 260.231 28.320 ?       ?      0.000000       28.31969 
1 1 1 6   22 2  o 486.700 27.077 50.601  5.5588 0.0000  0.0000  50.601  5.5588 ?       ?      486.700 27.077 0.000000       27.07689 
1 1 1 6   22 3  o 988.479 30.427 208.398 12.737 0.0000  0.0000  208.398 12.737 ?       ?      988.479 30.427 0.000000       30.42689 
1 1 1 6   22 4  o 676.677 19.868 97.260  5.6936 89.743  7.8835  105.457 8.2316 648.901 28.688 703.588 27.626 -54.68787      39.82706 
1 1 1 6   22 5  o 172.974 26.565 6.5172  1.8837 4.9867  2.5619  8.3187  2.7794 149.857 39.725 194.342 35.060 -44.48529      52.98380 
1 1 1 6   22 6  f 813.786 20.880 140.745 7.1958 138.221 9.9799  143.478 10.385 805.028 29.273 820.067 29.902 -15.03876      41.84602 
1 1 1 6   22 7  o 225.315 23.860 10.924  2.2421 10.073  3.0261  11.958  3.3384 214.359 34.506 233.923 34.756 -19.56352      48.97548 
1 1 1 6   22 8  o 331.787 22.075 23.520  3.0840 24.192  4.1984  22.733  4.5451 335.285 29.882 324.232 33.588 11.05334       44.95660 
1 1 1 6   22 9  o 552.693 20.996 64.973  4.9142 67.527  6.7818  62.149  7.1310 561.663 28.606 538.163 31.426 23.50043       42.49582 
1 1 1 6   22 10 o 804.264 21.977 137.682 7.4854 150.216 10.393  124.173 10.790 838.391 29.273 761.181 33.472 77.20990       44.46657 
1 1 1 6   22 11 o 552.985 30.218 65.606  7.0499 65.606  7.0499  0.0000  0.0000 552.985 30.218 ?       ?      0.000000       30.21838 
1 1 1 6   22 12 o 447.757 30.603 43.107  5.7683 43.107  5.7683  0.0000  0.0000 447.757 30.603 ?       ?      0.000000       30.60337 
1 1 1 6   22 13 f 573.255 32.035 70.690  7.7460 0.0000  0.0000  70.690  7.7460 ?       ?      573.255 32.035 0.000000       32.03516 
1 1 1 6   22 14 o 254.189 25.470 13.945  2.7049 13.298  3.5679  14.821  4.1478 246.013 35.253 259.000 39.028 -12.98703      52.59259 
1 1 1 6   22 15 o 240.447 26.850 12.545  2.6874 14.253  3.7397  10.721  3.8645 254.295 35.710 217.891 43.406 36.40408       56.20714 
1 1 1 6   22 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   22 17 o 445.503 23.185 42.667  4.3592 41.638  6.0252  43.796  6.3146 436.820 32.810 447.756 33.545 -10.93646      46.92313 
1 1 1 6   22 18 o 563.702 31.593 69.233  7.5115 69.233  7.5115  0.0000  0.0000 563.702 31.593 ?       ?      0.000000       31.59255 
1 1 1 6   22 19 o 379.934 23.706 31.209  3.7953 31.134  5.2248  31.293  5.5223 375.814 33.169 375.904 35.095 -0.8941650E-01 48.28926 
1 1 1 6   22 20 o 152.370 44.291 5.4119  3.0287 5.4119  3.0287  0.0000  0.0000 152.370 44.291 ?       ?      0.000000       44.29074 
1 1 1 6   22 21 o 137.846 43.668 4.3389  2.8589 0.0000  0.0000  4.3389  2.8589 ?       ?      137.846 43.668 0.000000       43.66819 
1 1 1 6   22 22 f 232.900 27.291 12.031  2.6407 12.813  3.6758  11.196  3.7962 235.672 38.132 217.802 42.683 17.86992       57.23551 
1 1 1 6   22 23 o 426.669 24.139 39.860  4.3439 30.018  5.7757  52.677  6.5910 361.055 38.361 484.564 32.304 -123.5085      50.15098 
1 1 1 6   22 24 o 244.604 21.733 13.086  2.2278 22.690  3.7969  8.0446  2.7512 319.370 28.369 185.764 36.273 133.6057       46.04868 
1 1 1 6   23 0  o 570.972 18.545 69.224  4.4842 72.778  6.2573  65.472  6.4294 584.745 25.269 554.371 27.386 30.37439       37.26243 
1 1 1 6   23 1  o 565.816 26.872 68.183  6.4391 0.0000  0.0000  68.183  6.4391 ?       ?      565.816 26.872 0.000000       26.87238 
1 1 1 6   23 2  o 1021.04 30.175 222.372 13.048 0.0000  0.0000  222.372 13.048 ?       ?      1021.04 30.175 0.000000       30.17487 
1 1 1 6   23 3  o 472.707 19.231 47.457  3.8498 43.734  5.3658  51.407  5.5265 452.150 28.162 490.589 26.701 -38.43869      38.80822 
1 1 1 6   23 4  o 622.624 19.639 82.349  5.1784 84.092  7.2682  80.553  7.3799 628.235 27.319 614.730 28.348 13.50507       39.36900 
1 1 1 6   23 5  o 560.065 19.871 66.645  4.7130 65.760  6.5367  67.603  6.8015 554.731 27.914 562.334 28.656 -7.602783      40.00430 
1 1 1 6   23 6  o 333.851 21.321 23.793  2.9987 10.832  4.0175  40.096  4.5059 220.404 44.573 433.275 24.659 -212.8710      50.93975 
1 1 1 6   23 7  o 565.698 20.256 68.029  4.8527 69.988  6.6925  65.858  7.0467 572.820 27.588 554.481 30.122 18.33954       40.84684 
1 1 1 6   23 8  o 469.740 20.679 46.928  4.1136 47.525  5.6572  46.259  5.9923 470.952 28.499 464.181 30.656 6.770996       41.85651 
1 1 1 6   23 9  o 884.190 21.890 166.400 8.1966 165.021 11.280  167.943 11.931 878.435 30.322 885.741 31.807 -7.305298      43.94436 
1 1 1 6   23 10 o 888.133 22.217 167.957 8.3561 163.912 11.502  172.478 12.159 875.051 31.039 897.321 31.998 -22.27026      44.57928 
1 1 1 6   23 11 o 218.325 38.468 10.555  3.4267 10.555  3.4267  0.0000  0.0000 218.325 38.468 ?       ?      0.000000       38.46758 
1 1 1 6   23 12 o 661.010 31.780 93.661  8.8962 0.0000  0.0000  93.661  8.8962 ?       ?      661.010 31.780 0.000000       31.78011 
1 1 1 6   23 13 o 271.437 38.219 16.204  4.2717 0.0000  0.0000  16.204  4.2717 ?       ?      271.437 38.219 0.000000       38.21945 
1 1 1 6   23 14 o 309.247 24.399 20.569  3.1694 21.641  4.3889  19.401  4.5816 315.185 33.390 297.212 37.216 17.97266       49.99931 
1 1 1 6   23 15 f 127.088 43.809 3.2711  2.8595 3.2711  2.8595  0.0000  0.0000 127.088 43.809 ?       ?      0.000000       43.80882 
1 1 1 6   23 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   23 17 o 257.211 26.783 14.404  2.8746 13.870  3.8807  15.053  4.2791 248.958 38.013 258.732 40.372 -9.774277      55.45124 
1 1 1 6   23 18 o 462.004 22.673 45.847  4.4361 43.218  6.1225  48.752  6.4365 444.046 32.790 471.933 32.401 -27.88672      46.09774 
1 1 1 6   23 19 o 457.211 23.211 45.180  4.4794 48.659  6.2216  41.437  6.4545 470.637 31.396 431.918 35.604 38.71851       47.46967 
1 1 1 6   23 20 o 159.577 42.312 5.9770  2.9059 5.9770  2.9059  0.0000  0.0000 159.577 42.312 ?       ?      0.000000       42.31165 
1 1 1 6   23 21 o 122.170 47.567 2.5370  3.5415 0.0000  0.0000  2.5370  3.5415 ?       ?      122.170 47.567 0.000000       47.56663 
1 1 1 6   23 22 o 228.429 28.544 11.656  2.7010 7.6278  3.6604  16.472  4.0019 176.686 47.773 268.286 36.143 -91.59993      59.90469 
1 1 1 6   23 23 o 134.539 36.963 4.2579  2.1708 5.8946  2.9470  2.3164  3.2097 156.297 43.120 115.534 45.200 40.76285       62.46880 
1 1 1 6   24 0  o 383.919 26.826 31.547  4.3341 0.0000  0.0000  31.547  4.3341 ?       ?      383.919 26.826 0.000000       26.82580 
1 1 1 6   24 1  o 379.213 18.925 30.541  3.0392 34.618  4.2888  26.427  4.3074 402.484 25.290 350.836 29.258 51.64783       38.67353 
1 1 1 6   24 2  o 423.324 19.291 38.064  3.4583 40.070  4.8374  35.968  4.9460 432.935 26.512 409.748 28.684 23.18777       39.05989 
1 1 1 6   24 3  o 500.825 19.082 53.278  4.0473 50.161  5.6024  56.680  5.8532 484.390 27.423 515.078 26.927 -30.68839      38.43313 
1 1 1 6   24 4  o 487.433 19.441 50.477  4.0131 52.257  5.5497  48.527  5.8101 494.532 26.597 476.095 28.954 18.43719       39.31598 
1 1 1 6   24 5  o 784.112 20.390 130.688 6.7708 122.238 9.3584  139.970 9.8083 756.818 29.199 809.984 28.594 -53.16644      40.86789 
1 1 1 6   24 6  o 166.977 26.915 6.0929  1.8385 4.9634  2.4673  7.5031  2.7569 149.253 38.709 183.885 36.688 -34.63200      53.33251 
1 1 1 6   24 7  o 346.148 21.128 25.582  3.0824 22.171  4.1888  29.611  4.5521 320.487 31.261 371.199 29.193 -50.71298      42.77253 
1 1 1 6   24 8  o 104.845 34.026 2.2829  1.7278 0.5728  2.3540  4.2802  2.5440 91.484  37.672 139.517 40.604 -48.03330      55.38834 
1 1 1 6   24 9  o 382.378 21.884 31.230  3.5291 33.935  4.7857  28.005  5.2250 397.467 28.623 359.592 34.744 37.87515       45.01565 
1 1 1 6   24 10 o 954.856 30.872 195.233 12.484 195.233 12.484  0.0000  0.0000 954.856 30.872 ?       ?      0.000000       30.87178 
1 1 1 6   24 11 f 290.283 23.479 18.077  2.8616 18.993  3.9619  17.078  4.1375 295.974 32.125 279.666 35.753 16.30780       48.06509 
1 1 1 6   24 12 o 609.771 31.931 79.992  8.2169 0.0000  0.0000  79.992  8.2169 ?       ?      609.771 31.931 0.000000       31.93086 
1 1 1 6   24 13 o 239.172 25.845 12.373  2.5762 11.668  3.4136  13.306  3.9265 229.832 36.275 245.013 39.161 -15.18129      53.38054 
1 1 1 6   24 14 o 494.255 22.162 52.185  4.6388 58.012  6.3568  45.547  6.7847 518.714 29.055 457.411 35.298 61.30319       45.71804 
1 1 1 6   24 15 f 282.269 24.906 17.219  2.9466 19.887  4.0910  14.342  4.2478 301.477 32.560 252.904 41.070 48.57285       52.41093 
1 1 1 6   24 16 o 113.781 43.302 2.1200  2.8882 0.0000  0.0000  2.1200  2.8882 ?       ?      113.781 43.302 0.000000       43.30182 
1 1 1 6   24 17 o 212.279 27.615 9.8864  2.4237 8.5994  3.3628  11.278  3.4965 193.590 42.208 223.703 38.285 -30.11319      56.98439 
1 1 1 6   24 18 o 252.686 36.693 14.326  3.8117 14.326  3.8117  0.0000  0.0000 252.686 36.693 ?       ?      0.000000       36.69265 
1 1 1 6   24 19 o 164.676 43.662 6.3649  3.0945 6.3649  3.0945  0.0000  0.0000 164.676 43.662 ?       ?      0.000000       43.66248 
1 1 1 6   24 20 o 229.984 40.458 12.233  3.7966 0.0000  0.0000  12.233  3.7966 ?       ?      229.984 40.458 0.000000       40.45771 
1 1 1 6   24 21 o 108.930 44.438 1.4475  3.2375 0.0000  0.0000  1.4475  3.2375 ?       ?      108.930 44.438 0.000000       44.43825 
1 1 1 6   24 22 o 158.230 34.954 5.8412  2.2797 6.9524  3.0848  4.5039  3.3840 169.859 42.878 139.657 47.674 30.20250       64.12023 
1 1 1 6   24 23 o 273.482 26.175 16.580  2.9945 18.540  4.0972  14.333  4.3874 284.722 34.697 244.517 43.987 40.20477       56.02465 
1 1 1 6   25 0  o 717.871 18.843 109.458 5.7285 108.746 7.9518  110.225 8.2597 714.495 26.280 719.199 27.119 -4.704041      37.76318 
1 1 1 6   25 1  o 866.142 19.907 159.406 7.3019 170.781 10.206  147.479 10.451 895.221 26.921 831.341 29.685 63.88055       40.07418 
1 1 1 6   25 2  o 625.352 19.012 83.075  5.0350 85.153  7.0103  80.862  7.2361 632.205 26.184 615.839 27.745 16.36554       38.14977 
1 1 1 6   25 3  o 796.388 19.855 134.783 6.6965 130.789 9.3087  139.067 9.6405 783.089 28.070 807.465 28.192 -24.37610      39.78329 
1 1 1 6   25 4  o 677.412 19.732 97.528  5.6606 94.663  7.8419  100.645 8.1795 666.176 27.796 686.844 28.121 -20.66779      39.53984 
1 1 1 6   25 5  o 1210.80 22.918 312.058 11.751 317.634 16.421  306.205 16.824 1218.62 31.819 1195.95 33.218 22.66479       45.99882 
1 1 1 6   25 6  f 371.572 20.482 29.452  3.2105 29.183  4.4402  29.746  4.6476 368.566 28.673 371.920 29.757 -3.354187      41.32311 
1 1 1 6   25 7  o 779.998 20.754 129.440 6.8554 120.831 9.5162  138.728 9.8843 751.697 29.893 805.683 28.969 -53.98541      41.62731 
1 1 1 6   25 8  o 343.324 21.575 25.191  3.1210 21.096  4.2599  29.935  4.5856 312.069 32.720 373.039 29.261 -60.96991      43.89561 
1 1 1 6   25 9  o 634.280 28.857 86.039  7.7514 86.039  7.7514  0.0000  0.0000 634.280 28.857 ?       ?      0.000000       28.85722 
1 1 1 6   25 10 o 495.573 29.473 52.737  6.1577 52.737  6.1577  0.0000  0.0000 495.573 29.473 ?       ?      0.000000       29.47320 
1 1 1 6   25 11 o 373.602 32.696 30.181  5.1210 0.0000  0.0000  30.181  5.1210 ?       ?      373.602 32.696 0.000000       32.69613 
1 1 1 6   25 12 f 514.894 21.631 56.515  4.7167 53.026  6.4011  60.660  6.9768 496.182 30.612 530.653 31.183 -34.47128      43.69762 
1 1 1 6   25 13 o 243.145 26.370 12.809  2.6718 14.157  3.6171  11.190  3.9635 253.827 34.547 222.789 43.570 31.03822       55.60469 
1 1 1 6   25 14 o 602.353 21.792 77.557  5.5590 77.067  7.5880  78.125  8.1670 597.187 30.101 600.398 32.238 -3.211975      44.10617 
1 1 1 6   25 15 o 190.287 29.087 7.9838  2.2695 5.7732  3.1712  10.305  3.2495 159.174 45.027 214.451 37.124 -55.27666      58.35792 
1 1 1 6   25 16 o 442.906 33.160 42.923  6.1746 0.0000  0.0000  42.923  6.1746 ?       ?      442.906 33.160 0.000000       33.15987 
1 1 1 6   25 17 o 348.414 23.449 26.217  3.4398 22.590  4.6668  30.531  5.0898 319.391 35.081 372.863 32.560 -53.47278      47.86233 
1 1 1 6   25 18 o 363.168 32.600 29.134  4.9605 29.134  4.9605  0.0000  0.0000 363.168 32.600 ?       ?      0.000000       32.60049 
1 1 1 6   25 19 o 860.315 32.704 163.445 11.915 163.445 11.915  0.0000  0.0000 860.315 32.704 ?       ?      0.000000       32.70400 
1 1 1 6   25 20 o 336.160 36.655 25.558  5.1337 0.0000  0.0000  25.558  5.1337 ?       ?      336.160 36.655 0.000000       36.65519 
1 1 1 6   25 21 o 165.174 36.093 6.3585  2.4542 4.5984  3.1540  9.0598  3.9073 140.643 45.987 192.548 48.066 -51.90446      66.52245 
1 1 1 6   25 22 o 103.033 36.932 2.1663  2.0464 0.3152  2.6518  4.8916  3.2176 90.712  38.810 143.334 46.425 -52.62144      60.51028 
1 1 1 6   25 23 o 108.490 35.861 2.6130  1.9160 5.5074  2.7816  -0.0000 2.6430 151.199 41.961 87.922  38.187 63.27707       56.73567 
1 1 1 6   26 0  o 295.854 17.155 18.647  2.1401 18.072  3.4983  18.991  2.7055 289.609 28.909 298.060 21.580 -8.451202      36.07525 
1 1 1 6   26 1  o 605.084 15.758 77.707  4.0378 86.113  6.7617  73.048  5.0340 635.832 25.111 586.216 20.277 49.61621       32.27614 
1 1 1 6   26 2  o 669.656 19.178 95.292  5.4387 96.168  7.6230  94.383  7.7618 671.598 26.802 665.204 27.553 6.394165       38.43849 
1 1 1 6   26 3  o 486.444 19.114 50.287  3.9375 42.827  5.4304  58.556  5.7177 446.981 28.842 524.146 25.759 -77.16547      38.67007 
1 1 1 6   26 4  o 261.142 21.014 14.599  2.3043 16.964  3.1236  11.775  3.4130 280.789 26.585 231.648 35.957 49.14162       44.71754 
1 1 1 6   26 5  o 218.795 23.678 10.315  2.1590 11.500  2.9596  8.9681  3.1563 229.795 31.221 200.968 38.488 28.82683       49.55856 
1 1 1 6   26 6  o 334.654 20.682 23.919  2.9167 21.446  3.9806  26.785  4.2860 315.227 30.187 352.845 28.938 -37.61768      41.81707 
1 1 1 6   26 7  o 221.094 24.997 10.557  2.2994 11.643  3.1955  9.3902  3.3112 230.627 33.714 205.410 39.500 25.21715       51.93111 
1 1 1 6   26 8  o 582.485 28.562 72.559  7.0455 72.559  7.0455  0.0000  0.0000 582.485 28.562 ?       ?      0.000000       28.56154 
1 1 1 6   26 9  o 659.214 28.966 92.979  8.0865 92.979  8.0865  0.0000  0.0000 659.214 28.966 ?       ?      0.000000       28.96622 
1 1 1 6   26 10 o 192.439 41.899 8.3162  3.3178 0.0000  0.0000  8.3162  3.3178 ?       ?      192.439 41.899 0.000000       41.89909 
1 1 1 6   26 11 o 607.470 31.209 79.403  8.0017 0.0000  0.0000  79.403  8.0017 ?       ?      607.470 31.209 0.000000       31.20930 
1 1 1 6   26 12 o 400.229 22.829 34.312  3.8533 32.643  5.3273  36.143  5.5803 387.985 32.728 408.442 32.531 -20.45773      46.14529 
1 1 1 6   26 13 o 289.728 25.494 18.127  3.0962 18.423  4.3490  17.824  4.4090 289.277 36.299 284.084 37.570 5.193390       52.24115 
1 1 1 6   26 14 o 453.550 22.476 44.041  4.3170 45.185  5.8629  42.686  6.3802 456.345 30.513 442.065 34.350 14.28067       45.94542 
1 1 1 6   26 15 o 285.375 34.309 17.978  4.0633 17.978  4.0633  0.0000  0.0000 285.375 34.309 ?       ?      0.000000       34.30885 
1 1 1 6   26 16 o 175.511 31.449 6.8851  2.2517 3.3683  2.9707  11.633  3.4519 128.122 44.625 227.555 37.099 -99.43309      58.03220 
1 1 1 6   26 17 o 335.906 23.279 24.403  3.2910 23.076  4.4924  25.940  4.8349 323.078 33.312 342.526 33.770 -19.44797      47.43552 
1 1 1 6   26 18 o 260.172 35.691 15.250  3.8289 15.250  3.8289  0.0000  0.0000 260.172 35.691 ?       ?      0.000000       35.69135 
1 1 1 6   26 19 o 170.743 31.342 6.6075  2.1828 4.2893  2.9295  9.5005  3.2727 137.203 44.283 202.256 39.625 -65.05342      59.42366 
1 1 1 6   26 20 o 402.635 35.089 36.495  5.9233 0.0000  0.0000  36.495  5.9233 ?       ?      402.635 35.089 0.000000       35.08930 
1 1 1 6   26 21 o 316.894 25.923 22.165  3.4485 23.305  4.5947  20.694  5.2184 320.179 34.427 296.142 42.856 24.03748       54.97157 
1 1 1 6   26 22 o 243.426 28.266 13.283  2.8596 8.5136  3.7085  20.279  4.4912 185.410 47.129 296.367 36.559 -110.9574      59.64647 
1 1 1 6   27 0  o 653.261 15.364 90.577  4.2505 85.188  6.9141  93.851  5.3892 632.167 25.826 664.528 19.150 -32.36090      32.15131 
1 1 1 6   27 1  o 605.402 15.715 77.803  4.0292 76.938  6.6358  78.308  5.0710 600.705 26.085 606.924 19.729 -6.219055      32.70559 
1 1 1 6   27 2  o 476.774 19.129 48.317  3.8624 48.386  5.4241  48.246  5.5012 475.456 27.050 474.684 27.484 0.7717285      38.56264 
1 1 1 6   27 3  o 312.652 19.717 20.867  2.5972 20.806  3.6645  20.928  3.6816 310.899 28.137 311.802 28.186 -0.9024353     39.82656 
1 1 1 6   27 4  o 366.651 19.470 28.667  3.0123 27.077  4.1631  30.414  4.3642 354.974 27.918 376.399 27.571 -21.42517      39.23748 
1 1 1 6   27 5  o 225.043 23.210 10.904  2.1803 11.945  3.0470  9.8102  3.1212 234.131 31.532 210.782 36.274 23.34868       48.06291 
1 1 1 6   27 6  o 722.503 20.182 111.077 6.1751 105.354 8.5513  117.313 8.9267 701.876 28.769 740.719 28.457 -38.84235      40.46589 
1 1 1 6   27 7  o 535.614 20.162 61.054  4.5732 62.384  6.3419  59.614  6.6009 539.480 27.854 526.894 29.704 12.58563       40.72030 
1 1 1 6   27 8  f 362.324 29.988 28.301  4.5600 28.301  4.5600  0.0000  0.0000 362.324 29.988 ?       ?      0.000000       29.98756 
1 1 1 6   27 9  o 493.800 30.356 52.443  6.3174 0.0000  0.0000  52.443  6.3174 ?       ?      493.800 30.356 0.000000       30.35646 
1 1 1 6   27 10 o 127.479 42.893 3.3258  2.7389 0.0000  0.0000  3.3258  2.7389 ?       ?      127.479 42.893 0.000000       42.89291 
1 1 1 6   27 11 o 533.150 21.009 60.604  4.7436 53.205  6.4310  69.433  7.0252 496.708 30.723 568.106 29.300 -71.39819      42.45488 
1 1 1 6   27 12 o 197.773 30.517 8.6088  2.4737 10.055  3.6104  7.3290  3.3960 211.148 41.856 179.361 44.832 31.78618       61.33370 
1 1 1 6   27 13 f 293.984 25.466 18.685  3.1392 15.454  4.3991  22.038  4.4810 262.772 40.859 317.100 33.894 -54.32886      53.08674 
1 1 1 6   27 14 o 430.177 22.814 39.782  4.1413 33.891  5.7080  46.329  6.0177 393.042 34.647 461.491 30.971 -68.44965      46.47145 
1 1 1 6   27 15 o 262.529 35.617 15.332  3.8576 15.332  3.8576  0.0000  0.0000 262.529 35.617 ?       ?      0.000000       35.61715 
1 1 1 6   27 16 o 434.662 22.307 40.692  4.0923 41.489  5.5465  39.738  6.0625 435.874 30.235 424.843 33.981 11.03110       45.48439 
1 1 1 6   27 17 o 180.658 28.637 7.2636  2.1179 10.415  2.8191  3.1807  3.2089 216.012 31.765 126.899 46.143 89.11282       56.01999 
1 1 1 6   27 18 o 119.986 41.705 3.0395  2.5940 3.0395  2.5940  0.0000  0.0000 119.986 41.705 ?       ?      0.000000       41.70490 
1 1 1 6   27 19 o 99.699  39.798 1.3565  2.5342 0.0000  0.0000  1.3565  2.5342 ?       ?      99.699  39.798 0.000000       39.79760 
1 1 1 6   27 20 o 214.357 28.373 10.274  2.5124 8.8253  3.4218  11.968  3.7005 192.174 43.107 226.171 40.103 -33.99631      58.87724 
1 1 1 6   27 21 o 84.588  34.932 0.6775  2.0315 0.3028  2.8038  1.0917  2.9475 92.691  39.788 101.231 41.963 -8.540016      57.82716 
1 1 1 6   27 22 f 212.078 29.821 10.194  2.6043 9.3360  3.4783  11.288  3.9289 196.244 43.038 215.403 44.541 -19.15912      61.93676 
1 1 1 6   28 0  o 349.378 16.440 25.923  2.4324 22.560  3.8185  28.220  3.1555 323.818 28.124 363.652 20.574 -39.83389      34.84652 
1 1 1 6   28 1  o 384.789 16.143 31.443  2.6306 30.449  4.2499  32.060  3.3493 376.770 26.810 387.674 20.473 -10.90375      33.73366 
1 1 1 6   28 2  f 844.694 16.684 151.562 5.9682 167.296 9.9459  142.709 7.4608 885.315 26.528 818.790 21.516 66.52429       34.15662 
1 1 1 6   28 3  o 352.882 20.114 26.578  2.9934 22.356  4.2211  30.849  4.2456 321.596 31.394 379.210 26.606 -57.61328      41.15115 
1 1 1 6   28 4  o 295.138 20.601 18.628  2.5587 17.432  3.5638  19.901  3.6758 283.827 30.109 303.700 28.930 -19.87341      41.75550 
1 1 1 6   28 5  f 633.847 19.760 85.485  5.3040 81.324  7.3449  90.020  7.6676 616.699 28.123 648.881 27.903 -32.18231      39.61695 
1 1 1 6   28 6  o 418.644 20.301 37.307  3.5993 38.148  4.9394  36.355  5.2556 421.471 27.830 410.841 30.423 10.63007       41.23182 
1 1 1 6   28 7  o 261.955 32.507 14.946  3.5286 14.946  3.5286  0.0000  0.0000 261.955 32.507 ?       ?      0.000000       32.50666 
1 1 1 6   28 8  o 474.628 20.577 47.970  4.1359 50.646  5.7793  45.160  5.9214 485.697 28.219 457.956 30.710 27.74130       41.70635 
1 1 1 6   28 9  o 682.697 29.953 99.929  8.6600 0.0000  0.0000  99.929  8.6600 ?       ?      682.697 29.953 0.000000       29.95336 
1 1 1 6   28 10 o 101.073 34.473 2.0370  1.7693 -1.9067 2.4089  6.6567  2.6072 72.435  33.470 172.367 36.835 -99.93184      49.76975 
1 1 1 6   28 11 o 349.099 22.587 26.144  3.3214 27.655  4.5847  24.476  4.8183 357.194 30.604 334.822 34.474 22.37192       46.09827 
1 1 1 6   28 12 o 61.137  28.515 -1.6738 1.8122 -0.4520 2.7426  -2.6206 2.4143 88.465  38.653 68.135  32.136 20.32930       50.26678 
1 1 1 6   28 13 o 514.948 21.873 56.779  4.7701 54.803  6.5826  58.965  6.9220 502.172 31.106 520.774 31.535 -18.60278      44.29468 
1 1 1 6   28 14 o 300.550 25.136 19.572  3.1699 21.772  4.4188  17.240  4.5499 314.372 33.717 277.138 39.919 37.23376       52.25285 
1 1 1 6   28 15 o 198.695 44.422 9.1410  3.6441 9.1410  3.6441  0.0000  0.0000 198.695 44.422 ?       ?      0.000000       44.42218 
1 1 1 6   28 16 o 438.135 22.788 41.434  4.2137 36.019  5.7362  47.779  6.2101 403.780 33.858 466.590 31.615 -62.81018      46.32327 
1 1 1 6   28 17 f 182.016 40.035 7.7016  3.0021 7.7016  3.0021  0.0000  0.0000 182.016 40.035 ?       ?      0.000000       40.03515 
1 1 1 6   28 18 o 190.068 44.019 8.5859  3.4735 0.0000  0.0000  8.5859  3.4735 ?       ?      190.068 44.019 0.000000       44.01875 
1 1 1 6   28 19 o 156.042 43.164 5.7940  2.9485 0.0000  0.0000  5.7940  2.9485 ?       ?      156.042 43.164 0.000000       43.16397 
1 1 1 6   28 20 o 121.665 36.600 3.4263  2.0394 2.3459  2.6762  4.9230  3.1497 111.015 41.816 143.837 45.864 -32.82262      62.06531 
1 1 1 6   28 21 o 152.816 35.577 5.5112  2.2594 4.5323  2.9355  6.9339  3.5390 137.926 44.309 166.904 47.690 -28.97774      65.09661 
1 1 1 6   28 22 o 159.049 35.195 5.9545  2.3078 6.8392  2.9366  4.5257  3.7320 167.994 41.516 139.901 49.904 28.09317       64.91538 
1 1 1 6   29 0  o 264.992 17.735 14.991  1.9787 17.578  3.1092  13.230  2.5652 285.825 25.970 247.843 24.772 37.98213       35.89025 
1 1 1 6   29 1  o 703.272 15.839 105.047 4.7173 107.727 7.6815  103.424 5.9772 710.466 25.531 697.147 20.245 13.31866       32.58360 
1 1 1 6   29 2  o 286.355 18.842 17.514  2.2721 17.880  3.6353  17.279  2.9107 287.414 30.324 283.581 24.477 3.832764       38.97037 
1 1 1 6   29 3  o 357.081 17.408 27.102  2.6324 29.368  4.3146  25.759  3.3224 369.605 27.768 346.925 22.740 22.67932       35.89090 
1 1 1 6   29 4  o 252.583 22.889 13.710  2.4217 12.056  3.5163  15.202  3.3401 233.912 36.705 264.704 30.344 -30.79160      47.62383 
1 1 1 6   29 5  o 664.228 27.636 94.367  7.7738 94.367  7.7738  0.0000  0.0000 664.228 27.636 ?       ?      0.000000       27.63585 
1 1 1 6   29 6  o 573.288 27.492 70.299  6.6745 70.299  6.6745  0.0000  0.0000 573.288 27.492 ?       ?      0.000000       27.49162 
1 1 1 6   29 7  o 419.631 20.502 37.501  3.6434 39.005  5.0284  35.838  5.2863 426.018 28.028 407.637 30.851 18.38098       41.68139 
1 1 1 6   29 8  o 318.846 31.924 22.047  4.2528 0.0000  0.0000  22.047  4.2528 ?       ?      318.846 31.924 0.000000       31.92442 
1 1 1 6   29 9  o 657.920 20.885 92.272  5.8191 84.918  8.0541  100.304 8.4167 628.855 30.243 683.820 29.064 -54.96484      41.94448 
1 1 1 6   29 10 o 159.115 33.875 5.6677  2.2126 4.4939  3.3114  6.6145  2.9740 144.748 47.111 170.880 41.508 -26.13242      62.78835 
1 1 1 6   29 11 o 144.472 35.309 4.7060  2.1420 1.7646  3.2377  6.9956  2.8566 114.681 45.233 175.757 39.357 -61.07573      59.95897 
1 1 1 6   29 12 o 353.573 22.572 26.886  3.3622 27.862  4.8168  25.958  4.6954 357.173 32.190 344.532 32.567 12.64069       45.79122 
1 1 1 6   29 13 o 627.552 21.878 84.419  5.8144 84.568  8.0218  84.255  8.4398 624.604 30.326 621.791 32.161 2.812866       44.20446 
1 1 1 6   29 14 o 324.195 24.430 22.752  3.3295 27.718  4.7358  17.899  4.6819 355.459 31.796 281.861 40.376 73.59796       51.39303 
1 1 1 6   29 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   29 16 o 225.927 40.977 11.751  3.7762 11.751  3.7762  0.0000  0.0000 225.927 40.977 ?       ?      0.000000       40.97660 
1 1 1 6   29 17 o 140.660 46.867 4.4816  3.2701 4.4816  3.2701  0.0000  0.0000 140.660 46.867 ?       ?      0.000000       46.86692 
1 1 1 6   29 18 o 323.112 34.974 23.581  4.7092 0.0000  0.0000  23.581  4.7092 ?       ?      323.112 34.974 0.000000       34.97364 
1 1 1 6   29 19 o 110.523 34.617 2.7513  1.8014 0.8477  2.5031  4.7965  2.5945 93.718  38.745 142.420 40.877 -48.70199      56.32128 
1 1 1 6   29 20 o 102.107 35.249 2.2274  1.8516 2.0419  2.4514  2.4738  2.8253 105.060 39.915 113.283 42.896 -8.222702      58.59371 
1 1 1 6   29 21 o 252.253 27.217 14.241  2.8614 14.741  3.7596  13.552  4.4115 251.655 36.329 235.023 45.970 16.63194       58.59229 
1 1 1 6   30 0  o 328.421 16.824 22.982  2.3321 20.622  3.7635  24.453  2.9713 309.063 29.096 338.246 20.844 -29.18323      35.79227 
1 1 1 6   30 1  f 351.940 16.925 26.326  2.5226 29.235  3.9651  24.347  3.2696 369.146 25.520 337.151 23.037 31.99448       34.38048 
1 1 1 6   30 2  f 215.449 20.668 9.9740  1.8627 6.6983  2.9562  12.131  2.3987 172.571 41.048 237.223 24.216 -64.65132      47.65900 
1 1 1 6   30 3  o 651.117 16.390 90.096  4.5194 94.943  7.3081  87.095  5.7509 666.598 25.888 639.395 21.238 27.20233       33.48499 
1 1 1 6   30 4  o 267.047 26.447 15.390  2.9516 15.963  3.6367  14.285  5.0524 270.788 32.354 251.603 49.180 19.18449       58.86768 
1 1 1 6   30 5  o 496.310 26.682 52.820  5.5874 52.820  5.5874  0.0000  0.0000 496.310 26.682 ?       ?      0.000000       26.68158 
1 1 1 6   30 6  o 268.852 34.064 15.790  3.7915 0.0000  0.0000  15.790  3.7915 ?       ?      268.852 34.064 0.000000       34.06449 
1 1 1 6   30 7  o 95.630  39.467 0.6320  2.5907 0.0000  0.0000  0.6320  2.5907 ?       ?      95.630  39.467 0.000000       39.46658 
1 1 1 6   30 8  o 135.796 31.333 4.1198  1.7653 4.7744  2.3761  3.3135  2.6372 145.842 38.065 126.385 42.087 19.45708       56.74750 
1 1 1 6   30 9  o 643.677 20.694 88.389  5.6411 91.592  7.9404  85.126  8.0155 652.984 28.714 629.075 30.087 23.90900       41.59031 
1 1 1 6   30 10 o 375.732 21.442 30.264  3.3977 33.599  4.7654  26.815  4.8457 394.096 28.752 350.602 33.026 43.49374       43.78753 
1 1 1 6   30 11 o 190.302 30.387 8.0111  2.3666 8.0186  3.5293  8.0051  3.1900 186.758 45.127 187.416 41.305 -0.6579895     61.17685 
1 1 1 6   30 12 o 285.174 24.174 17.596  2.8920 20.868  4.1229  14.426  4.0578 308.391 32.036 253.533 39.046 54.85797       50.50651 
1 1 1 6   30 13 o 349.623 23.278 26.388  3.4269 24.241  4.8218  28.579  4.8712 331.081 34.917 360.845 32.215 -29.76456      47.50798 
1 1 1 6   30 14 o 374.734 23.058 30.325  3.6414 30.242  5.0731  30.413  5.2298 370.644 32.654 371.272 33.627 -0.6282043     46.87283 
1 1 1 6   30 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   30 16 o 342.715 32.935 26.172  4.7211 26.172  4.7211  0.0000  0.0000 342.715 32.935 ?       ?      0.000000       32.93463 
1 1 1 6   30 17 o 171.814 45.376 7.0874  3.3507 0.0000  0.0000  7.0874  3.3507 ?       ?      171.814 45.376 0.000000       45.37650 
1 1 1 6   30 18 o 332.318 24.781 24.212  3.4625 25.822  4.7528  22.391  5.0545 338.540 33.595 311.750 39.148 26.78964       51.58661 
1 1 1 6   30 19 o 139.413 35.560 4.5706  2.1062 5.6029  2.9163  3.4453  3.0449 152.313 43.213 125.874 45.058 26.43903       62.43035 
1 1 1 6   30 20 o 231.264 27.870 12.024  2.6745 12.993  3.4961  10.657  4.1527 236.124 36.110 206.193 48.388 29.93045       60.37707 
1 1 1 6   30 21 o 93.074  34.617 1.6404  1.8227 0.0001  2.3674  4.0284  2.8564 83.187  36.136 130.982 43.805 -47.79567      56.78595 
1 1 1 6   31 0  o 270.649 17.779 15.645  2.0264 16.758  3.2488  14.936  2.5925 278.465 27.925 263.562 23.473 14.90341       36.48009 
1 1 1 6   31 1  o 716.969 15.864 109.231 4.8166 120.088 7.8406  102.650 6.1043 749.880 24.690 694.165 20.765 55.71515       32.26074 
1 1 1 6   31 2  o 313.991 22.875 21.140  3.0208 20.650  3.7537  22.039  5.0889 309.141 29.011 317.075 38.702 -7.934143      48.36802 
1 1 1 6   31 3  o 443.179 27.293 42.184  5.0975 42.184  5.0975  0.0000  0.0000 443.179 27.293 ?       ?      0.000000       27.29323 
1 1 1 6   31 4  o 608.333 20.943 78.854  5.3955 86.149  7.0718  68.695  8.3462 634.698 26.310 563.563 35.146 71.13513       43.90246 
1 1 1 6   31 5  o 125.046 40.221 3.3150  2.4183 0.0000  0.0000  3.3150  2.4183 ?       ?      125.046 40.221 0.000000       40.22125 
1 1 1 6   31 6  o 497.268 30.623 53.295  6.4175 0.0000  0.0000  53.295  6.4175 ?       ?      497.268 30.623 0.000000       30.62301 
1 1 1 6   31 7  o 235.950 24.972 12.036  2.4573 12.822  3.3051  11.064  3.6746 241.815 33.147 222.453 40.497 19.36273       52.33278 
1 1 1 6   31 8  o 793.405 21.109 134.354 7.0926 134.093 9.8243  134.637 10.250 789.719 29.376 790.805 30.607 -1.086304      42.42299 
1 1 1 6   31 9  o 336.567 22.317 24.330  3.1629 18.894  4.4807  29.729  4.4654 292.580 36.989 370.582 28.676 -78.00229      46.80268 
1 1 1 6   31 10 o 273.636 24.682 16.200  2.8295 16.164  4.0538  16.234  3.9511 270.043 36.372 270.996 35.263 -0.9526367     50.66016 
1 1 1 6   31 11 f 352.699 22.585 26.788  3.3556 32.052  4.8318  21.883  4.6638 383.603 29.981 314.611 35.633 68.99161       46.56772 
1 1 1 6   31 12 o 436.124 21.966 40.920  4.0439 43.752  5.7075  38.065  5.7305 447.882 30.269 416.585 32.746 31.29745       44.59255 
1 1 1 6   31 13 o 445.077 21.981 42.562  4.1431 39.287  5.7084  46.208  6.0226 423.056 32.101 459.449 31.137 -36.39380      44.72141 
1 1 1 6   31 14 o 594.530 21.739 76.026  5.4733 77.174  7.5534  74.756  7.9420 594.083 30.121 583.318 32.276 10.76508       44.14748 
1 1 1 6   31 15 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   31 16 o 307.938 24.683 20.753  3.1918 21.745  4.4744  19.726  4.5545 310.540 34.612 294.143 37.409 16.39713       50.96445 
1 1 1 6   31 17 o 119.691 43.652 2.9153  2.8748 0.0000  0.0000  2.9153  2.8748 ?       ?      119.691 43.652 0.000000       43.65246 
1 1 1 6   31 18 o 241.685 26.850 12.984  2.7017 16.074  3.7641  9.7005  3.8800 265.514 34.276 199.246 46.782 66.26807       57.99524 
1 1 1 6   31 19 o 204.721 30.200 9.5389  2.5396 8.9624  3.7021  10.051  3.4903 190.083 46.397 204.248 41.761 -14.16521      62.42303 
1 1 1 6   31 20 o 297.852 24.734 19.663  3.0917 17.288  4.0813  22.860  4.7360 272.354 36.289 313.608 36.333 -41.25443      51.35125 
1 1 1 6   32 0  o 610.082 15.221 79.082  3.9325 81.404  6.3372  77.628  5.0148 617.355 24.239 603.767 19.613 13.58759       31.18032 
1 1 1 6   32 1  o 496.686 19.203 52.523  4.0392 49.529  5.2570  56.837  6.3109 480.572 25.927 514.083 29.107 -33.51022      38.97984 
1 1 1 6   32 2  o 469.495 20.246 46.958  4.0254 50.545  5.0535  40.732  6.6585 485.779 24.645 432.833 36.670 52.94531       44.18275 
1 1 1 6   32 3  f 449.461 19.132 43.011  3.6416 45.120  5.0444  40.715  5.2626 458.556 26.084 434.903 28.735 23.65344       38.80849 
1 1 1 6   32 4  f 418.171 28.610 37.659  5.0362 0.0000  0.0000  37.659  5.0362 ?       ?      418.171 28.610 0.000000       28.61026 
1 1 1 6   32 5  o 419.138 23.935 37.655  4.2308 0.0000  0.0000  37.655  4.2308 ?       ?      419.138 23.935 0.000000       23.93472 
1 1 1 6   32 6  o 643.224 20.305 88.215  5.5311 81.764  7.5720  95.596  8.0990 617.054 28.976 667.312 28.659 -50.25793      40.75473 
1 1 1 6   32 7  o 171.615 33.794 6.5778  2.3686 5.9761  3.2053  7.3016  3.5157 162.446 45.030 178.882 46.115 -16.43573      64.45364 
1 1 1 6   32 8  o 322.842 23.521 22.436  3.1937 18.840  4.3274  26.736  4.7330 292.482 35.677 350.206 32.276 -57.72433      48.10994 
1 1 1 6   32 9  o 462.442 20.647 45.729  4.0434 43.262  5.6884  48.247  5.7486 446.342 30.273 471.973 28.900 -25.63074      41.85275 
1 1 1 6   32 10 o 618.558 20.662 81.905  5.4124 74.418  7.5698  89.736  7.7417 585.067 30.658 644.367 28.370 -59.29987      41.77051 
1 1 1 6   32 11 o 497.513 21.203 53.078  4.4672 60.339  6.3510  45.968  6.2848 527.043 28.561 458.031 32.613 69.01151       43.35175 
1 1 1 6   32 12 o 153.239 33.620 5.3308  2.1218 4.4250  3.1920  6.0480  2.8401 141.436 46.264 161.798 41.307 -20.36221      62.02184 
1 1 1 6   32 13 o 186.256 29.951 7.7353  2.2824 6.2467  3.3108  9.0835  3.1508 163.574 45.915 199.236 38.738 -35.66165      60.07343 
1 1 1 6   32 14 o 304.249 35.255 20.741  4.4583 20.741  4.4583  0.0000  0.0000 304.249 35.255 ?       ?      0.000000       35.25525 
1 1 1 6   32 15 o 269.542 36.393 16.517  4.0480 0.0000  0.0000  16.517  4.0480 ?       ?      269.542 36.393 0.000000       36.39260 
1 1 1 6   32 16 o 157.937 44.484 5.9781  3.1021 0.0000  0.0000  5.9781  3.1021 ?       ?      157.937 44.484 0.000000       44.48409 
1 1 1 6   32 17 o 326.417 23.840 23.342  3.2727 21.166  4.5271  25.724  4.7365 304.487 35.791 337.377 33.598 -32.88974      49.08987 
1 1 1 6   32 18 o 354.700 23.886 27.658  3.5671 31.812  4.9616  23.214  5.1320 375.562 31.486 315.146 39.307 60.41669       50.36319 
1 1 1 6   32 19 o 130.357 45.437 3.9353  3.0801 3.9353  3.0801  0.0000  0.0000 130.357 45.437 ?       ?      0.000000       45.43746 
1 1 1 6   32 20 f 138.446 33.652 4.5295  1.9538 5.4804  2.5726  3.2334  3.0033 150.209 39.803 121.888 44.593 28.32100       59.77269 
1 1 1 6   33 0  o 441.482 19.105 41.505  3.5720 36.739  4.6184  48.601  5.6353 413.462 26.516 475.371 28.117 -61.90967      38.64807 
1 1 1 6   33 1  o 297.606 17.685 18.911  2.2189 17.224  3.4130  20.147  2.9202 281.930 28.999 306.411 22.665 -24.48120      36.80595 
1 1 1 6   33 2  o 359.968 28.428 27.953  4.2984 0.0000  0.0000  27.953  4.2984 ?       ?      359.968 28.428 0.000000       28.42804 
1 1 1 6   33 3  o 642.344 29.127 88.566  7.9234 0.0000  0.0000  88.566  7.9234 ?       ?      642.344 29.127 0.000000       29.12724 
1 1 1 6   33 4  o 466.622 17.402 46.339  3.4387 46.858  5.3412  45.971  4.4940 466.782 27.137 463.914 22.875 2.868805       35.49146 
1 1 1 6   33 5  o 209.182 24.428 9.4868  2.1232 8.4927  3.2147  10.256  2.8277 194.077 40.426 215.942 31.880 -21.86508      51.48428 
1 1 1 6   33 6  o 221.467 24.981 10.639  2.3020 11.368  3.6847  10.173  2.9481 225.136 40.118 214.458 33.561 10.67841       52.30474 
1 1 1 6   33 7  o 418.270 20.793 37.389  3.6832 38.700  4.9389  35.746  5.5285 423.175 27.712 405.092 32.500 18.08325       42.71077 
1 1 1 6   33 8  o 369.623 21.204 29.331  3.3052 30.187  4.5351  28.361  4.8271 372.823 28.951 360.313 31.966 12.50989       43.12778 
1 1 1 6   33 9  o 510.670 21.057 55.861  4.5539 55.280  6.3092  56.493  6.5797 504.355 29.669 509.446 30.640 -5.091217      42.65055 
1 1 1 6   33 10 o 312.111 23.352 21.061  3.0643 21.760  4.3902  20.397  4.2789 313.933 33.541 303.726 33.842 10.20697       47.64785 
1 1 1 6   33 11 f 234.698 26.240 12.050  2.5634 14.628  3.7552  9.8013  3.5079 255.681 35.651 206.441 41.562 49.23959       54.75811 
1 1 1 6   33 12 o 526.843 21.262 59.657  4.7438 52.394  6.5415  67.714  6.8895 488.347 31.804 556.884 29.316 -68.53735      43.25433 
1 1 1 6   33 13 o 272.215 35.896 16.674  4.0372 16.674  4.0372  0.0000  0.0000 272.215 35.896 ?       ?      0.000000       35.89626 
1 1 1 6   33 14 o 146.290 45.742 4.9808  3.1469 4.9808  3.1469  0.0000  0.0000 146.290 45.742 ?       ?      0.000000       45.74236 
1 1 1 6   33 15 o 100.533 37.975 1.8062  2.2109 0.0000  0.0000  1.8062  2.2109 ?       ?      100.533 37.975 0.000000       37.97516 
1 1 1 6   33 16 o 153.626 35.796 5.5206  2.2857 4.9800  3.3195  6.0081  3.1520 145.215 47.164 157.798 44.979 -12.58331      65.17324 
1 1 1 6   33 17 o 286.509 25.117 18.131  3.0168 17.957  4.1469  18.326  4.3968 279.326 35.887 280.959 37.922 -1.633087      52.21049 
1 1 1 6   33 18 o 221.097 28.174 11.035  2.5780 8.3127  3.6096  13.870  3.6833 182.229 46.592 243.266 36.912 -61.03725      59.44168 
1 1 1 6   33 19 o 337.639 24.461 25.262  3.4740 22.943  4.7507  27.928  5.0929 313.396 36.477 347.188 35.122 -33.79184      50.63729 
1 1 1 6   34 0  o 545.497 20.007 63.430  4.6219 0.0000  0.0000  63.430  4.6219 ?       ?      545.497 20.007 0.000000       20.00691 
1 1 1 6   34 1  o 543.430 30.090 63.676  6.8978 0.0000  0.0000  63.676  6.8978 ?       ?      543.430 30.090 0.000000       30.08999 
1 1 1 6   34 2  o 512.055 30.395 56.598  6.5616 0.0000  0.0000  56.598  6.5616 ?       ?      512.055 30.395 0.000000       30.39475 
1 1 1 6   34 3  o 800.216 19.776 136.550 6.7019 123.237 8.9463  153.576 10.117 757.581 27.885 845.551 28.254 -87.96991      39.69704 
1 1 1 6   34 4  o 339.097 18.215 24.572  2.6061 22.371  4.1470  26.009  3.3503 320.705 30.917 348.004 22.860 -27.29929      38.45097 
1 1 1 6   34 5  o 157.604 30.836 5.5392  1.9844 3.8832  3.0621  6.7382  2.6055 135.655 45.355 172.895 36.719 -37.23921      58.35588 
1 1 1 6   34 6  o 71.362  31.265 -0.3743 1.8053 1.6759  2.6666  -2.1091 2.4530 106.574 41.336 71.743  33.365 34.83118       53.12185 
1 1 1 6   34 7  o 237.633 24.580 12.260  2.4379 11.716  3.7089  12.673  3.2349 227.809 39.898 239.444 32.761 -11.63474      51.62492 
1 1 1 6   34 8  o 220.217 27.758 10.636  2.5312 8.5252  3.4243  13.179  3.7583 192.401 43.097 242.281 37.868 -49.88055      57.37027 
1 1 1 6   34 9  o 467.656 21.082 46.915  4.1753 48.279  5.7308  45.372  6.0956 470.935 28.874 455.154 31.824 15.78131       42.97083 
1 1 1 6   34 10 o 226.205 25.673 11.193  2.4158 7.2426  3.5159  14.726  3.3250 175.835 46.502 258.125 31.039 -82.28955      55.90941 
1 1 1 6   34 11 o 98.265  34.710 1.8993  1.8012 2.4885  2.8762  1.5191  2.3103 116.593 43.461 99.415  38.499 17.17712       58.06057 
1 1 1 6   34 12 o 254.888 37.567 14.726  3.9334 14.726  3.9334  0.0000  0.0000 254.888 37.567 ?       ?      0.000000       37.56659 
1 1 1 6   34 13 o 322.796 33.226 23.295  4.4772 23.295  4.4772  0.0000  0.0000 322.796 33.226 ?       ?      0.000000       33.22618 
1 1 1 6   34 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   34 15 o 56.948  27.393 -2.7141 1.9401 0.0000  0.0000  -2.7141 1.9401 ?       ?      56.948  27.393 0.000000       27.39260 
1 1 1 6   34 16 o 331.687 23.541 24.129  3.2852 23.815  4.4491  24.504  4.8715 324.332 32.845 327.129 35.746 -2.797424      48.54443 
1 1 1 6   34 17 o 215.008 28.698 10.456  2.5478 11.386  3.6152  9.5376  3.5912 218.036 40.648 197.152 44.115 20.88364       59.98672 
1 1 1 6   34 18 o 382.451 23.393 32.275  3.7707 29.378  5.1202  35.707  5.5736 356.694 34.320 394.009 33.728 -37.31497      48.11886 
1 1 1 6   34 19 o 125.930 36.844 3.7862  2.0898 9.1646  3.0366  -1.0533 2.8805 195.570 38.034 83.103  37.717 112.4673       53.56401 
1 1 1 6   35 0  o 453.304 18.847 43.799  3.6180 38.771  4.6355  51.635  5.7874 424.496 25.910 489.476 28.036 -64.98071      38.17528 
1 1 1 6   35 1  o 546.536 19.238 63.697  4.4527 60.213  5.8395  68.538  6.8826 529.832 26.025 563.723 28.927 -33.89148      38.91122 
1 1 1 6   35 2  o 248.292 21.080 13.262  2.1956 13.385  3.3475  13.168  2.9086 246.759 32.850 245.839 28.464 0.9198914      43.46646 
1 1 1 6   35 3  o 171.437 35.499 6.6099  2.4925 8.0838  3.2106  4.3739  3.9543 188.594 41.339 146.595 51.461 41.99948       66.00902 
1 1 1 6   35 4  o 336.931 19.168 24.313  2.7237 28.394  4.3140  21.607  3.5123 361.877 28.377 315.903 26.498 45.97424       38.82561 
1 1 1 6   35 5  o 498.074 17.105 52.901  3.6079 52.936  5.7239  52.879  4.6473 494.794 27.423 496.801 22.089 -2.006989      35.21330 
1 1 1 6   35 6  o 311.282 20.026 20.816  2.6259 20.250  4.0992  21.210  3.4196 303.519 32.391 312.695 26.061 -9.175690      41.57347 
1 1 1 6   35 7  o 176.807 28.038 6.9206  2.0294 7.4240  3.0002  6.4960  2.7553 179.863 40.378 168.330 39.355 11.53325       56.38472 
1 1 1 6   35 8  o 595.645 17.835 75.854  4.4989 69.792  7.1752  79.781  5.7752 565.641 30.061 609.191 22.386 -43.54980      37.48068 
1 1 1 6   35 9  o 553.917 20.716 65.877  4.8596 61.100  6.6098  71.497  7.1692 528.901 29.629 572.219 29.687 -43.31787      41.94268 
1 1 1 6   35 10 o 291.014 23.402 18.383  2.8597 14.207  3.9973  22.760  4.0929 250.025 39.027 321.450 30.428 -71.42479      49.48677 
1 1 1 6   35 11 o 234.517 38.252 12.541  3.6680 12.541  3.6680  0.0000  0.0000 234.517 38.252 ?       ?      0.000000       38.25162 
1 1 1 6   35 12 o 416.434 30.116 38.288  5.2753 38.288  5.2753  0.0000  0.0000 416.434 30.116 ?       ?      0.000000       30.11604 
1 1 1 6   35 13 o 166.547 41.398 6.5895  2.9073 0.0000  0.0000  6.5895  2.9073 ?       ?      166.547 41.398 0.000000       41.39846 
1 1 1 6   35 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   35 15 o 142.625 35.479 4.7800  2.1341 5.4423  3.1666  4.2288  2.8887 150.061 45.711 134.605 44.011 15.45639       63.45433 
1 1 1 6   35 16 o 397.706 22.858 34.690  3.8337 34.129  5.3629  35.277  5.4825 387.342 33.008 393.691 33.193 -6.349274      46.81168 
1 1 1 6   35 17 o 242.949 27.147 13.284  2.7454 13.674  3.8790  12.892  3.8860 238.974 39.723 230.886 41.258 8.087967       57.27252 
1 1 1 6   35 18 o 229.915 27.820 11.974  2.6536 9.2438  3.7550  14.698  3.7505 190.698 46.837 249.527 36.578 -58.82912      59.42759 
1 1 1 6   36 0  o 369.581 17.509 29.115  2.7404 29.577  4.3177  28.804  3.5462 369.659 27.784 366.028 22.994 3.631775       36.06485 
1 1 1 6   36 1  o 77.339  32.986 0.0317  1.9049 -3.5479 3.0435  2.3368  2.4424 75.007  35.586 111.638 40.308 -36.63103      53.76924 
1 1 1 6   36 2  o 287.717 19.813 17.771  2.3994 18.551  3.7173  17.214  3.1413 291.320 30.588 281.596 26.659 9.723969       40.57503 
1 1 1 6   36 3  o 485.980 16.770 50.357  3.4514 55.674  5.4761  46.853  4.4455 508.720 25.418 467.488 22.455 41.23145       33.91626 
1 1 1 6   36 4  o 459.855 17.107 45.121  3.3314 46.282  5.3948  44.406  4.2354 462.110 27.695 455.067 21.977 7.042969       35.35529 
1 1 1 6   36 5  o 156.081 30.998 5.4706  1.9767 1.7201  3.1246  7.9731  2.5523 112.038 44.358 188.633 33.160 -76.59425      55.38270 
1 1 1 6   36 6  o 277.602 20.922 16.621  2.4415 14.713  3.8201  17.939  3.1745 256.412 36.185 286.946 26.420 -30.53317      44.80383 
1 1 1 6   36 7  o 199.669 26.240 8.7642  2.1650 12.284  3.4015  6.3672  2.8071 233.903 35.451 166.009 40.327 67.89432       53.69383 
1 1 1 6   36 8  o 283.571 21.141 17.376  2.5206 16.967  3.9565  17.655  3.2701 275.633 34.661 283.899 27.546 -8.265900      44.27372 
1 1 1 6   36 9  o 194.257 27.058 8.3428  2.1655 9.7890  3.2541  7.1934  2.9011 206.708 38.592 176.213 39.815 30.49486       55.44871 
1 1 1 6   36 10 o 345.399 31.117 26.382  4.5028 26.382  4.5028  0.0000  0.0000 345.399 31.117 ?       ?      0.000000       31.11727 
1 1 1 6   36 11 o 516.398 29.850 58.767  6.5000 58.767  6.5000  0.0000  0.0000 516.398 29.850 ?       ?      0.000000       29.84953 
1 1 1 6   36 12 o 462.914 30.648 47.623  5.9743 0.0000  0.0000  47.623  5.9743 ?       ?      462.914 30.648 0.000000       30.64818 
1 1 1 6   36 13 o 217.985 36.940 11.033  3.2883 0.0000  0.0000  11.033  3.2883 ?       ?      217.985 36.940 0.000000       36.93983 
1 1 1 6   36 14 o 184.383 44.650 8.2886  3.4494 8.2886  3.4494  0.0000  0.0000 184.383 44.650 ?       ?      0.000000       44.65007 
1 1 1 6   36 15 o 245.510 25.187 13.383  2.5817 11.401  3.5059  15.730  3.8158 219.443 39.162 260.811 35.467 -41.36787      52.83556 
1 1 1 6   36 16 o 310.856 24.211 21.413  3.1621 19.558  4.4202  23.358  4.5256 288.714 37.003 318.023 34.136 -29.30975      50.34415 
1 1 1 6   36 17 o 156.019 33.596 5.7686  2.1541 4.1317  3.1389  7.2260  2.9617 131.616 45.869 171.015 41.349 -39.39833      61.75532 
1 1 1 6   36 18 o 143.145 36.058 4.9398  2.1848 5.9348  3.2534  4.1225  2.9485 152.968 46.274 130.925 44.502 22.04265       64.20116 
1 1 1 6   37 0  o 245.376 21.708 13.000  2.2325 12.834  3.5814  13.106  2.8550 239.714 36.425 244.826 28.042 -5.111572      45.96894 
1 1 1 6   37 1  o 166.569 29.720 6.1803  2.0196 5.4536  3.2602  6.6327  2.5726 154.765 46.212 170.942 36.638 -16.17725      58.97372 
1 1 1 6   37 2  o 283.679 20.389 17.320  2.4331 15.185  3.7860  18.823  3.1758 261.311 35.099 294.423 25.729 -33.11206      43.51944 
1 1 1 6   37 3  f 232.623 23.054 11.742  2.2412 12.810  3.3567  10.883  3.0105 239.866 33.996 221.020 33.189 18.84605       47.51080 
1 1 1 6   37 4  o 152.139 32.114 5.2311  2.0041 5.0985  3.0171  5.3358  2.6810 149.314 44.427 152.284 40.764 -2.970291      60.29479 
1 1 1 6   37 5  o 189.136 25.494 7.8614  1.9899 10.661  3.2536  6.1882  2.5152 217.160 36.686 164.371 37.023 52.78920       52.12056 
1 1 1 6   37 6  o 277.750 19.753 16.630  2.3083 19.176  3.6286  14.899  2.9916 295.331 29.404 260.617 27.522 34.71332       40.27428 
1 1 1 6   37 7  o 288.364 20.231 17.946  2.4549 14.390  3.9126  20.255  3.1528 252.029 37.826 305.103 24.610 -53.07457      45.12705 
1 1 1 6   37 8  o 137.486 33.811 4.3302  1.9549 2.2455  2.9959  5.8759  2.5798 114.816 44.005 159.219 38.649 -44.40269      58.56808 
1 1 1 6   37 9  o 79.696  36.366 -1.4934 2.7243 -1.4934 2.7243  0.0000  0.0000 79.696  36.366 ?       ?      0.000000       36.36646 
1 1 1 6   37 10 o 222.368 30.970 11.086  2.8373 13.066  3.4069  6.6032  5.1256 240.233 34.475 167.707 58.605 72.52594       67.99334 
1 1 1 6   37 11 o 197.620 38.797 9.1293  3.1310 0.0000  0.0000  9.1293  3.1310 ?       ?      197.620 38.797 0.000000       38.79728 
1 1 1 6   37 12 o 188.010 38.105 8.3154  2.9300 0.0000  0.0000  8.3154  2.9300 ?       ?      188.010 38.105 0.000000       38.10462 
1 1 1 6   37 13 o 129.800 33.793 3.9411  1.8758 1.2265  2.6525  6.6568  2.6530 98.816  40.258 167.419 38.255 -68.60339      55.53511 
1 1 1 6   37 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   37 15 o 87.216  33.902 1.2466  1.7968 -0.2598 2.7124  2.4246  2.3986 86.167  38.018 108.291 39.815 -22.12428      55.05119 
1 1 1 6   37 16 o 98.570  41.215 1.0713  2.8787 1.0713  2.8787  0.0000  0.0000 98.570  41.215 ?       ?      0.000000       41.21505 
1 1 1 6   37 17 o 128.928 36.271 4.0106  2.0636 3.0434  2.9471  4.9411  2.8905 118.245 44.010 140.790 43.810 -22.54445      62.09826 
1 1 1 6   38 0  o 211.220 23.387 9.7131  2.0569 16.653  3.3066  5.3326  2.6270 275.657 28.748 152.292 40.158 123.3643       49.38712 
1 1 1 6   38 1  o 304.685 19.292 19.959  2.4765 16.985  3.9080  21.954  3.2012 276.466 34.102 318.354 23.919 -41.88727      41.65424 
1 1 1 6   38 2  o 247.360 22.467 13.266  2.3279 14.479  3.7135  12.481  2.9878 254.336 35.441 237.566 30.395 16.77013       46.68921 
1 1 1 6   38 3  f 162.008 29.689 5.8834  1.9618 2.6536  2.9162  8.5535  2.6516 118.860 43.870 195.014 33.302 -76.15372      55.07803 
1 1 1 6   38 4  o 231.816 27.152 11.813  2.6150 12.279  3.3818  11.120  4.1241 233.588 35.287 217.812 46.144 15.77562       58.09027 
1 1 1 6   38 5  o 396.565 17.867 33.681  3.0006 37.766  4.8307  31.115  3.8289 415.847 27.587 378.731 23.997 37.11572       36.56352 
1 1 1 6   38 6  o 219.778 24.182 10.568  2.2135 7.9461  3.4724  12.363  2.8729 183.486 45.024 236.228 29.350 -52.74176      53.74588 
1 1 1 6   38 7  o 503.759 17.445 54.373  3.7217 48.823  5.8200  58.212  4.8409 471.544 29.289 519.447 22.006 -47.90314      36.63504 
1 1 1 6   38 8  o 96.766  40.644 0.6108  2.8191 0.6108  2.8191  0.0000  0.0000 96.766  40.644 ?       ?      0.000000       40.64407 
1 1 1 6   38 9  o 330.170 31.581 24.308  4.3619 24.308  4.3619  0.0000  0.0000 330.170 31.581 ?       ?      0.000000       31.58121 
1 1 1 6   38 10 o 314.116 26.936 21.801  3.5484 0.0000  0.0000  21.801  3.5484 ?       ?      314.116 26.936 0.000000       26.93551 
1 1 1 6   38 11 o 337.118 26.470 25.148  3.7486 0.0000  0.0000  25.148  3.7486 ?       ?      337.118 26.470 0.000000       26.46987 
1 1 1 6   38 12 o 152.192 30.884 5.3440  1.9225 6.0496  2.6860  4.6028  2.7528 158.694 39.985 138.795 42.682 19.89842       58.48533 
1 1 1 6   38 13 o 77.616  31.806 0.6125  1.6678 2.4765  2.5213  -0.8377 2.2239 110.482 40.788 74.159  33.447 36.32296       52.74851 
1 1 1 6   38 14 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 6   38 15 o 188.088 29.831 8.1603  2.2969 6.0037  3.3727  10.026  3.1367 153.335 47.259 204.338 37.634 -51.00327      60.41311 
1 1 1 6   38 16 o 74.245  32.074 0.0777  1.8448 -0.2686 2.8864  0.3169  2.3986 87.832  38.962 85.408  36.735 2.424088       53.54910 
1 1 1 6   39 0  o 259.690 20.472 14.572  2.2332 11.297  3.6578  16.518  2.8196 221.884 40.416 275.465 24.424 -53.58153      47.22279 
1 1 1 6   39 1  o 380.016 17.627 30.913  2.8368 41.239  4.6478  24.783  3.5812 435.748 25.295 337.466 25.241 98.28217       35.73493 
1 1 1 6   39 2  o 298.568 19.678 19.219  2.4742 25.003  3.8833  15.267  3.2101 338.064 27.359 262.988 29.322 75.07581       40.10362 
1 1 1 6   39 3  o 181.106 28.619 7.3136  2.1221 6.9411  3.1759  7.6141  2.8522 171.878 43.573 181.705 38.274 -9.827545      57.99568 
1 1 1 6   39 4  o 453.305 20.363 44.203  3.9091 39.179  5.1252  51.191  6.0443 422.583 28.811 482.753 29.709 -60.17072      41.38468 
1 1 1 6   39 5  o 488.003 16.890 50.997  3.4906 54.658  5.6199  48.698  4.4539 500.435 26.614 474.971 22.142 25.46478       34.62044 
1 1 1 6   39 6  o 366.281 22.854 29.125  3.5273 34.336  4.5730  21.472  5.5423 395.712 27.458 303.938 44.367 91.77414       52.17623 
1 1 1 6   39 7  o 243.012 35.982 13.444  3.5911 13.444  3.5911  0.0000  0.0000 243.012 35.982 ?       ?      0.000000       35.98165 
1 1 1 6   39 8  o 366.521 22.130 29.205  3.4189 27.468  4.6411  31.266  5.0555 350.734 31.585 373.961 32.237 -23.22687      45.13137 
1 1 1 6   39 9  o 217.506 32.820 10.780  2.9291 0.0000  0.0000  10.780  2.9291 ?       ?      217.506 32.820 0.000000       32.82012 
1 1 1 6   39 10 o 352.292 26.648 27.502  3.9462 0.0000  0.0000  27.502  3.9462 ?       ?      352.292 26.648 0.000000       26.64762 
1 1 1 6   39 11 o 219.949 25.374 10.772  2.3201 9.2384  3.6579  11.804  3.0010 193.685 45.388 227.215 32.080 -33.52994      55.58071 
1 1 1 6   39 12 o 252.241 21.438 13.961  2.2683 10.740  3.4050  16.531  3.0415 212.387 39.304 272.091 26.741 -59.70369      47.53815 
1 1 1 6   39 13 o 144.544 33.305 4.9351  1.9968 5.7637  2.9345  4.2206  2.7250 152.522 43.373 132.468 42.704 20.05426       60.86752 
1 1 1 6   39 14 o 148.933 41.951 5.5275  2.7588 0.0000  0.0000  5.5275  2.7588 ?       ?      148.933 41.951 0.000000       41.95094 
1 1 1 6   39 15 o 177.555 30.643 7.3534  2.2209 10.248  3.2543  4.8302  3.0384 205.092 38.892 138.702 45.126 66.38997       59.57320 
1 1 1 6   39 16 o 142.691 35.342 4.9325  2.1245 5.1261  3.1066  4.7625  2.9119 142.162 45.573 137.815 44.115 4.347183       63.42723 
1 1 1 6   40 0  o 323.472 18.397 22.518  2.5097 27.194  4.1841  19.891  3.1366 351.865 28.319 301.961 24.745 49.90384       37.60708 
1 1 1 6   40 1  o 197.402 24.541 8.5674  2.0073 13.271  3.2243  5.5910  2.5650 243.615 32.029 154.960 39.090 88.65506       50.53572 
1 1 1 6   40 2  f 172.223 28.156 6.6322  1.9826 5.8566  3.1941  7.1183  2.5286 157.595 45.391 176.269 35.108 -18.67352      57.38373 
1 1 1 6   40 3  o 54.202  26.116 -2.6201 1.7815 -1.4381 2.8406  -3.3864 2.2872 81.927  37.288 61.040  29.457 20.88748       47.51913 
1 1 1 6   40 4  o 362.330 28.037 28.879  4.2686 28.879  4.2686  0.0000  0.0000 362.330 28.037 ?       ?      0.000000       28.03695 
1 1 1 6   40 5  o 145.743 38.006 4.9569  2.3701 6.8292  2.9902  1.7931  3.8872 169.981 41.825 118.950 48.629 51.03048       64.14095 
1 1 1 6   40 6  o 260.904 34.258 15.419  3.6937 15.419  3.6937  0.0000  0.0000 260.904 34.258 ?       ?      0.000000       34.25846 
1 1 1 6   40 7  o 128.683 43.197 3.7361  2.7778 0.0000  0.0000  3.7361  2.7778 ?       ?      128.683 43.197 0.000000       43.19718 
1 1 1 6   40 8  o 516.735 22.686 58.173  4.9644 0.0000  0.0000  58.173  4.9644 ?       ?      516.735 22.686 0.000000       22.68576 
1 1 1 6   40 9  o 173.217 29.853 6.8556  2.1108 4.8787  3.1577  8.4524  2.8380 142.459 45.975 189.602 36.672 -47.14307      58.80925 
1 1 1 6   40 10 o 242.971 23.546 13.050  2.3924 13.749  3.6299  12.513  3.1811 242.742 36.436 233.226 33.140 9.516220       49.25275 
1 1 1 6   40 11 o 349.502 20.225 26.650  2.9808 22.655  4.3976  30.044  4.0542 314.151 33.575 367.567 26.217 -53.41589      42.59790 
1 1 1 6   40 12 o 131.995 31.949 4.1035  1.7667 4.3151  2.9037  3.9792  2.2262 133.748 44.144 128.781 38.126 4.966599       58.32968 
1 1 1 6   40 13 o 72.868  30.520 0.3944  1.5823 1.2366  2.6193  -0.0895 1.9855 96.790  39.784 75.244  32.882 21.54579       51.61375 
1 1 1 6   40 14 o 167.843 40.494 7.0260  2.8452 0.0000  0.0000  7.0260  2.8452 ?       ?      167.843 40.494 0.000000       40.49409 
1 1 1 6   40 15 o 265.284 24.626 15.802  2.7350 16.439  3.8668  15.165  3.8691 262.820 35.662 250.843 37.579 11.97708       51.80703 
1 1 1 6   41 0  f 363.610 17.753 28.379  2.7338 25.693  4.5092  29.940  3.4376 339.713 31.710 371.547 21.944 -31.83417      38.56257 
1 1 1 6   41 1  o 177.675 26.851 7.0344  1.9574 8.0937  3.1352  6.3578  2.5057 185.614 40.981 165.532 36.706 20.08138       55.01577 
1 1 1 6   41 2  o 157.749 35.632 5.7663  2.3242 4.6787  3.0130  7.3646  3.6524 141.985 44.814 174.640 47.931 -32.65572      65.61722 
1 1 1 6   41 3  o 194.798 33.396 8.6471  2.6558 8.0730  3.4269  9.5105  4.2026 183.701 44.516 197.161 50.200 -13.45969      67.09496 
1 1 1 6   41 4  o 315.170 30.769 22.170  4.0544 22.170  4.0544  0.0000  0.0000 315.170 30.769 ?       ?      0.000000       30.76911 
1 1 1 6   41 5  o 94.865  36.699 1.4621  2.0977 0.0001  2.6550  3.8908  3.4220 88.545  38.365 133.558 47.771 -45.01366      61.26950 
1 1 1 6   41 6  o 265.478 27.721 15.702  3.0707 0.0000  0.0000  15.702  3.0707 ?       ?      265.478 27.721 0.000000       27.72121 
1 1 1 6   41 7  o 138.774 39.922 4.5983  2.4721 0.0000  0.0000  4.5983  2.4721 ?       ?      138.774 39.922 0.000000       39.92206 
1 1 1 6   41 8  o 164.810 29.473 6.2241  1.9816 7.5172  3.1951  5.4159  2.5260 175.010 43.338 149.911 39.306 25.09837       58.50764 
1 1 1 6   41 9  o 81.524  32.524 0.9105  1.6916 2.6931  2.4377  -0.7450 2.3493 112.176 40.299 76.896  34.558 35.27914       53.08694 
1 1 1 6   41 10 o 95.788  35.039 1.8294  1.8542 1.9903  2.7349  1.6925  2.5225 106.414 41.698 101.143 39.915 5.270897       57.72323 
1 1 1 6   41 11 o 152.676 32.966 5.5036  2.0691 4.3851  3.1383  6.3636  2.7519 134.702 45.912 160.922 40.432 -26.21967      61.17663 
1 1 1 6   41 12 o 164.709 31.094 6.3595  2.0894 12.485  3.2141  1.8770  2.7496 230.365 33.965 104.211 41.500 126.1544       53.62679 
1 1 1 6   41 13 o 204.006 25.312 9.4266  2.1399 7.9519  3.5036  10.304  2.7025 174.470 46.554 209.962 31.354 -35.49127      56.12831 
1 1 1 6   41 14 o 119.422 34.568 3.4448  1.8484 4.3512  2.8670  2.8000  2.4181 131.902 43.880 111.302 40.120 20.59962       59.45631 
1 1 1 6   42 0  o 110.807 39.179 2.5496  2.2954 2.1004  3.1549  3.0548  3.3460 113.680 44.711 124.724 46.801 -11.04485      64.72502 
1 1 1 6   42 1  o 294.647 23.745 19.010  2.9378 18.153  4.0650  19.947  4.2505 282.734 34.677 296.641 34.478 -13.90704      48.89976 
1 1 1 6   42 2  o 137.302 44.762 4.3756  2.9889 4.3756  2.9889  0.0000  0.0000 137.302 44.762 ?       ?      0.000000       44.76201 
1 1 1 6   42 3  o 295.876 20.030 19.015  2.4950 22.842  3.8855  16.330  3.2547 320.208 28.967 270.422 28.866 49.78558       40.89418 
1 1 1 6   42 4  f 135.756 48.506 4.1335  3.5272 0.0000  0.0000  4.1335  3.5272 ?       ?      135.756 48.506 0.000000       48.50564 
1 1 1 6   42 5  o 276.191 28.896 17.124  3.3298 0.0000  0.0000  17.124  3.3298 ?       ?      276.191 28.896 0.000000       28.89648 
1 1 1 6   42 6  o 114.063 34.029 3.0216  1.7684 6.4589  2.6671  0.3253  2.3622 163.868 38.997 85.942  36.696 77.92613       53.54785 
1 1 1 6   42 7  o 122.745 33.795 3.5510  1.8124 -0.1904 2.8500  6.0913  2.3484 88.814  39.088 160.190 35.545 -71.37623      52.83308 
1 1 1 6   42 8  o 98.693  34.784 2.0623  1.8079 3.9577  2.8314  0.7578  2.3491 129.446 43.612 89.457  37.303 39.98875       57.38894 
1 1 1 6   42 9  o 75.964  31.786 0.4331  1.7139 -5.3692 2.7953  3.9286  2.1696 61.475  30.280 128.034 37.564 -66.55903      48.24865 
1 1 1 6   42 10 o 147.633 31.573 5.1295  1.9142 4.9705  2.8738  5.2564  2.5665 141.348 43.634 146.006 40.223 -4.657394      59.34466 
1 1 1 6   42 11 o 168.123 30.357 6.6077  2.0818 7.1347  3.0446  6.1449  2.8530 167.892 42.717 155.995 42.176 11.89777       60.03026 
1 1 1 6   42 12 o 296.566 21.996 19.539  2.7428 15.346  4.1226  22.869  3.6740 249.401 40.416 316.778 27.664 -67.37668      48.97691 
1 1 1 6   42 13 o 159.988 40.215 6.4535  2.7216 8.9619  3.1568  -0.8105 5.3719 189.009 40.646 110.222 50.584 78.78753       64.89059 
1 1 1 6   43 0  o 145.447 30.681 4.8748  1.8304 6.6009  3.1959  4.0322  2.2328 164.495 44.707 130.918 38.022 33.57726       58.68877 
1 1 1 6   43 1  o 176.268 35.327 7.2639  2.5452 0.0000  0.0000  7.2639  2.5452 ?       ?      176.268 35.327 0.000000       35.32675 
1 1 1 6   43 2  o 112.138 44.865 2.0047  3.2284 0.0000  0.0000  2.0047  3.2284 ?       ?      112.138 44.865 0.000000       44.86453 
1 1 1 6   43 3  o 181.283 47.361 8.2336  3.6760 0.0000  0.0000  8.2336  3.6760 ?       ?      181.283 47.361 0.000000       47.36073 
1 1 1 6   43 4  o 567.833 16.760 69.557  4.0302 66.856  6.3259  71.403  5.2287 548.458 27.235 571.847 21.591 -23.38867      34.75537 
1 1 1 6   43 5  o 253.852 22.129 14.207  2.3552 14.585  3.6469  13.936  3.0846 249.895 35.455 247.391 30.060 2.503159       46.48332 
1 1 1 6   43 6  o 115.934 34.524 3.1580  1.8215 -1.4507 2.7498  6.7614  2.4314 78.620  36.121 168.808 35.153 -90.18772      50.40327 
1 1 1 6   43 7  o 196.291 25.630 8.6729  2.0797 5.9503  3.2007  10.662  2.7359 153.755 45.761 215.257 30.898 -61.50148      55.21557 
1 1 1 6   43 8  f 302.218 20.025 20.011  2.5484 19.252  3.9834  20.537  3.3156 288.181 33.250 302.688 26.122 -14.50644      42.28334 
1 1 1 6   43 9  o 166.910 30.495 6.5039  2.0761 8.6664  3.2046  4.9398  2.7253 186.631 41.608 140.646 42.310 45.98512       59.34050 
1 1 1 6   43 10 o 198.141 25.638 8.9180  2.1008 7.7501  3.1623  9.8406  2.8107 174.371 43.076 203.532 33.794 -29.16090      54.75064 
1 1 1 6   43 11 o 153.766 32.883 5.6835  2.0765 6.3008  3.0345  5.1400  2.8475 155.742 44.043 141.431 43.397 14.31090       61.83044 
1 1 1 6   43 12 o 272.321 23.053 16.614  2.6336 14.109  4.0540  18.443  3.4641 236.670 41.986 282.330 29.405 -45.65965      51.25861 
1 1 1 6   43 13 o 141.700 45.099 5.2229  3.0465 5.2229  3.0465  0.0000  0.0000 141.700 45.099 ?       ?      0.000000       45.09860 
1 1 1 6   44 0  o 135.767 38.613 4.4329  2.3256 0.0000  0.0000  4.4329  2.3256 ?       ?      135.767 38.613 0.000000       38.61271 
1 1 1 6   44 1  o 150.173 43.597 5.5741  2.9361 0.0000  0.0000  5.5741  2.9361 ?       ?      150.173 43.597 0.000000       43.59654 
1 1 1 6   44 2  o 211.545 28.412 10.166  2.4810 11.622  3.4528  8.6115  3.5673 220.733 38.328 185.026 45.778 35.70668       59.70434 
1 1 1 6   44 3  o 93.107  34.770 1.6621  1.8425 -2.9745 2.8425  5.0217  2.4196 71.844  34.174 143.641 38.843 -71.79662      51.73612 
1 1 1 6   44 4  o 194.364 26.604 8.5508  2.1323 13.439  3.3052  5.0656  2.7907 240.412 33.363 143.092 42.762 97.32019       54.23726 
1 1 1 6   44 5  o 239.341 23.573 12.748  2.3583 9.7899  3.6485  14.870  3.0908 197.524 44.664 255.582 29.074 -58.05779      53.29338 
1 1 1 6   44 6  o 286.107 21.231 18.030  2.5541 17.949  4.0494  18.083  3.2913 276.363 35.414 282.679 27.856 -6.316101      45.05659 
1 1 1 6   44 7  o 140.576 32.927 4.7115  1.9258 5.6590  2.9775  4.0300  2.5251 149.533 44.045 128.580 41.073 20.95247       60.22367 
1 1 1 6   44 8  o 80.345  31.848 0.9803  1.6124 1.9967  2.4737  0.2295  2.1262 102.460 39.793 80.139  34.528 22.32109       52.68429 
1 1 1 6   44 9  f 171.005 37.666 7.2218  2.6540 0.0000  0.0000  7.2218  2.6540 ?       ?      171.005 37.666 0.000000       37.66593 
1 1 1 6   44 10 o 102.181 36.253 2.3509  1.9670 5.8027  3.0374  -0.1427 2.5815 148.721 44.649 83.306  36.905 65.41528       57.92736 
1 1 1 6   44 11 o 174.648 29.039 7.1465  2.0723 6.9465  3.0962  7.3088  2.7893 162.785 43.905 170.141 39.475 -7.355820      59.04163 
1 1 1 6   44 12 o 143.568 36.866 5.1364  2.2531 6.6772  2.9939  3.1243  3.4214 160.079 43.174 119.036 46.640 41.04288       63.55487 
1 1 1 6   45 0  o 124.256 39.305 3.7059  2.3168 4.5981  3.1851  2.7035  3.3761 136.739 46.254 117.755 46.271 18.98382       65.42556 
1 1 1 6   45 1  o 235.837 22.258 12.330  2.1968 10.543  3.6639  13.334  2.7449 205.647 43.432 242.750 27.166 -37.10301      51.22833 
1 1 1 6   45 2  o 131.472 34.369 4.1444  1.9350 6.9041  3.2164  2.5790  2.4224 164.818 44.874 109.576 40.054 55.24273       60.15014 
1 1 1 6   45 3  o 180.533 27.086 7.4360  2.0070 5.3686  3.1739  8.8134  2.5907 145.652 45.997 193.872 32.719 -48.21950      56.44696 
1 1 1 6   45 4  o 155.681 32.463 5.7377  2.0709 7.8405  3.1586  4.1523  2.7427 176.730 42.684 130.375 42.897 46.35529       60.51480 
1 1 1 6   45 5  o 113.561 38.358 3.0068  2.1904 1.6178  2.8831  4.9030  3.3687 102.869 41.947 139.522 47.567 -36.65311      63.42083 
1 1 1 6   45 6  o 114.095 36.236 3.1057  1.9676 0.9244  3.0877  4.5972  2.5532 98.693  42.042 135.602 40.987 -36.90929      58.71560 
1 1 1 6   45 7  o 157.163 29.142 5.7897  1.8682 1.9056  2.9201  8.4810  2.4307 104.902 42.421 189.653 31.361 -84.75021      52.75457 
1 1 1 6   45 8  o 212.141 24.806 10.226  2.1865 9.5998  3.3091  10.712  2.9129 194.308 41.476 211.485 33.651 -17.17653      53.41055 
1 1 1 6   45 9  o 216.580 23.257 10.589  2.0998 10.796  3.3301  10.453  2.7053 207.630 39.312 210.093 31.367 -2.463135      50.29257 
1 1 1 6   45 10 o 164.175 30.292 6.4031  2.0285 7.5255  3.1700  5.6249  2.6397 168.982 43.901 147.677 40.837 21.30484       59.95785 
1 1 1 6   45 11 o 228.204 28.179 12.077  2.6655 9.3888  3.6879  15.017  3.8568 187.044 46.701 246.498 38.180 -59.45453      60.32184 
1 1 1 6   46 0  o 250.254 20.769 13.830  2.1812 19.327  3.7128  10.933  2.6954 289.461 30.759 217.457 30.074 72.00380       43.01831 
1 1 1 6   46 1  f 247.099 20.478 13.474  2.1236 19.087  3.7861  10.898  2.5650 286.855 31.696 217.975 28.466 68.87910       42.60252 
1 1 1 6   46 2  o 109.896 34.242 2.8532  1.7652 1.0058  3.1446  3.7032  2.1330 100.125 42.535 123.439 37.497 -23.31361      56.70295 
1 1 1 6   46 3  o 178.665 28.162 7.3710  2.0603 11.425  3.2255  4.5771  2.6777 217.975 36.212 135.082 42.188 82.89229       55.59814 
1 1 1 6   46 4  o 141.304 34.657 4.8613  2.0582 -0.1744 3.3035  8.0559  2.6312 93.014  41.447 182.538 35.315 -89.52430      54.45155 
1 1 1 6   46 5  o 221.729 29.257 11.419  2.6802 10.169  3.4903  13.216  4.1840 199.659 42.578 225.951 45.302 -26.29161      62.17065 
1 1 1 6   46 6  o 137.528 35.493 4.6813  2.0811 4.6821  3.1538  4.6807  2.7698 134.314 46.024 134.722 43.015 -0.4075775     62.99535 
1 1 1 6   46 7  o 143.300 33.663 5.0340  2.0082 4.0402  3.0939  5.7576  2.6398 126.430 45.402 149.370 40.647 -22.93977      60.93827 
1 1 1 6   46 8  o 89.507  33.517 1.6309  1.7145 0.0001  2.5117  3.0537  2.3460 82.812  36.559 112.620 39.631 -29.80794      53.91815 
1 1 1 6   46 9  o 137.089 33.218 4.6137  1.9082 3.5552  2.9374  5.3865  2.5100 120.324 44.088 144.643 39.749 -24.31934      59.36117 
1 1 1 6   47 0  o 290.858 19.546 18.641  2.3936 18.620  4.1217  18.652  2.9401 278.567 35.765 287.897 24.343 -9.330383      43.26297 
1 1 1 6   47 1  o 205.471 23.803 9.5357  2.0328 10.203  3.3603  9.1505  2.5530 201.412 40.794 196.681 31.731 4.731308       51.68163 
1 1 1 6   47 2  o 178.852 27.323 7.4058  2.0038 2.9104  3.3515  9.9068  2.4998 116.769 46.033 205.962 29.503 -89.19279      54.67566 
1 1 1 6   47 3  o 170.985 28.889 6.8619  2.0173 5.5537  3.4295  7.5540  2.4945 143.756 47.999 176.001 34.701 -32.24489      59.22900 
1 1 1 6   47 4  o 213.522 24.578 10.387  2.1819 6.7268  3.3498  13.085  2.8756 157.322 46.812 236.577 29.331 -79.25496      55.24236 
1 1 1 6   47 5  o 174.650 34.043 7.4578  2.4274 9.1800  3.1839  5.0673  3.7512 188.850 40.988 137.069 49.883 51.78070       64.56249 
1 1 1 6   47 6  o 246.032 23.746 13.739  2.4434 10.402  3.7983  16.095  3.1914 195.992 46.469 262.090 29.252 -66.09848      54.90940 
1 1 1 6   47 7  o 99.031  35.580 2.2256  1.9004 1.1693  3.0436  2.9005  2.4329 97.859  41.716 110.503 40.179 -12.64365      57.91829 
1 1 1 6   47 8  o 143.943 33.771 5.1211  2.0231 6.5975  3.0639  3.9797  2.6939 156.549 44.250 124.447 42.536 32.10250       61.37883 
1 1 1 6   48 0  o 115.421 34.908 3.2881  1.8516 -0.5102 3.1774  5.2410  2.2784 87.871  39.773 143.965 37.129 -56.09393      54.40987 
1 1 1 6   48 1  o 75.348  32.026 0.4149  1.7845 -2.0557 3.0498  1.7011  2.2005 77.489  36.414 94.783  37.321 -17.29314      52.14271 
1 1 1 6   48 2  o 121.662 34.954 3.6942  1.8963 1.0503  3.2458  5.0642  2.3365 98.837  42.622 140.544 38.238 -41.70761      57.26067 
1 1 1 6   48 3  o 150.054 33.572 5.5607  2.0801 5.3067  3.3392  5.7218  2.6590 139.027 47.358 147.469 41.061 -8.441910      62.68040 
1 1 1 6   48 4  o 147.197 31.705 5.2851  1.9180 6.8351  3.0264  4.2445  2.4796 159.300 43.593 127.732 40.690 31.56786       59.63266 
1 1 1 6   48 5  o 178.274 34.430 7.8545  2.5053 11.028  3.3109  3.6032  3.8321 208.044 39.012 122.341 48.904 85.70217       62.55791 
1 1 1 6   48 6  o 196.392 27.352 9.0227  2.2131 7.0686  3.6065  10.203  2.8029 157.542 48.922 204.452 33.536 -46.91086      59.31276 
1 1 1 6   48 7  o 231.959 30.933 12.837  2.9629 13.970  3.7253  10.885  4.8880 235.033 38.780 187.771 56.702 47.26237       68.69468 
1 1 1 6   49 0  o 266.496 20.207 15.888  2.2636 14.606  3.6170  16.714  2.9022 241.782 36.457 268.962 25.796 -27.17970      44.66063 
1 1 1 6   49 1  o 220.171 22.902 11.037  2.1042 8.5918  3.8232  12.099  2.5202 172.212 49.677 227.931 26.609 -55.71945      56.35513 
1 1 1 6   49 2  o 142.844 32.401 5.0435  1.9150 11.110  3.2857  1.9224  2.3567 208.396 38.653 97.700  38.574 110.6960       54.60734 
1 1 1 6   49 3  o 88.675  33.968 1.5854  1.7845 -2.8887 3.5494  3.0989  2.0644 79.493  37.916 111.330 37.240 -31.83749      53.14588 
1 1 1 6   49 4  o 170.152 29.212 6.9208  2.0291 5.8562  3.3223  7.5542  2.5625 144.089 47.203 172.936 36.153 -28.84753      59.45770 
1 1 1 6   49 5  o 204.126 42.241 11.005  3.5311 11.005  3.5311  0.0000  0.0000 204.126 42.241 ?       ?      0.000000       42.24055 
1 1 1 6   50 0  f 75.337  31.214 0.7036  1.6297 0.3554  2.3637  1.0190  2.2500 82.236  35.909 86.792  36.375 -4.556007      51.11345 
1 1 1 6   50 1  o 86.308  33.464 1.4599  1.7472 -3.5874 3.1012  3.8071  2.1148 70.396  34.051 121.250 37.431 -50.85406      50.60241 
1 1 1 6   50 2  o 125.294 40.744 4.1653  2.4771 6.4994  3.3945  1.5065  3.6228 150.199 47.583 103.572 44.846 46.62724       65.38574 
1 1 1 7   0  0  o 60.358  34.236 1.0206  1.3544 0.0000  0.0000  1.0206  1.3544 60.358  34.236 60.358  34.236 0.000000       0.000000 
1 1 1 7   0  1  o 781.138 32.683 130.995 10.769 130.995 10.769  0.0000  0.0000 781.138 32.683 781.138 32.683 0.000000       0.000000 
1 1 1 7   0  2  o 383.419 22.320 31.562  3.5960 27.033  5.0624  36.176  5.1090 350.639 34.884 408.724 29.884 0.000000       0.000000 
1 1 1 7   0  3  o 359.118 22.425 27.719  3.3800 23.539  4.7865  31.877  4.7737 326.358 35.720 383.428 29.813 0.000000       0.000000 
1 1 1 7   0  4  o 1023.93 24.417 223.186 10.574 244.807 14.997  201.812 14.912 1070.14 33.165 970.339 36.404 0.000000       0.000000 
1 1 1 7   0  5  f 355.519 22.868 27.164  3.4103 27.194  4.8129  27.134  4.8330 352.930 32.856 352.467 33.046 0.000000       0.000000 
1 1 1 7   0  6  o 381.702 22.772 31.246  3.6511 29.221  5.1341  33.319  5.1932 366.025 33.783 392.048 31.758 0.000000       0.000000 
1 1 1 7   0  7  o 251.775 24.340 13.823  2.5396 13.953  3.5779  13.691  3.6053 248.635 36.224 245.749 37.155 0.000000       0.000000 
1 1 1 7   0  8  o 301.439 34.212 20.041  4.2222 0.0000  0.0000  20.041  4.2222 301.439 34.212 301.439 34.212 0.000000       0.000000 
1 1 1 7   0  9  o 476.724 32.617 48.950  6.5142 48.950  6.5142  0.0000  0.0000 476.724 32.617 476.724 32.617 0.000000       0.000000 
1 1 1 7   0  10 o 1125.85 25.300 269.345 12.049 260.776 16.953  278.092 17.128 1105.68 36.293 1142.09 35.491 0.000000       0.000000 
1 1 1 7   0  11 o 927.469 24.332 182.884 9.5421 179.140 13.417  186.716 13.573 915.969 34.702 935.287 34.374 0.000000       0.000000 
1 1 1 7   0  12 o 453.451 23.353 43.972  4.4574 46.653  6.3128  41.307  6.2946 465.142 32.409 436.686 34.534 0.000000       0.000000 
1 1 1 7   0  13 o 517.459 23.362 57.170  5.0957 54.191  7.0917  60.350  7.3270 501.366 33.751 529.655 32.958 0.000000       0.000000 
1 1 1 7   0  14 o 1253.11 26.354 333.960 13.972 326.836 19.589  341.337 19.933 1236.87 37.476 1264.14 37.308 0.000000       0.000000 
1 1 1 7   0  15 o 847.249 34.757 153.602 12.423 0.0000  0.0000  153.602 12.423 847.249 34.757 847.249 34.757 0.000000       0.000000 
1 1 1 7   0  16 o 323.974 35.749 23.159  4.7524 23.159  4.7524  0.0000  0.0000 323.974 35.749 323.974 35.749 0.000000       0.000000 
1 1 1 7   0  17 f 463.672 23.677 46.031  4.6215 52.523  6.5448  39.574  6.5268 493.584 31.608 425.942 36.816 0.000000       0.000000 
1 1 1 7   0  18 o 618.534 23.651 81.702  6.1746 75.333  8.5698  88.578  8.9042 590.884 34.517 641.689 32.965 0.000000       0.000000 
1 1 1 7   0  19 o 100.134 43.219 3.0669  1.8853 0.6451  2.6501  5.5484  2.6825 69.843  43.659 140.132 49.670 0.000000       0.000000 
1 1 1 7   0  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   0  21 o 233.122 27.450 12.073  2.6115 11.570  3.7095  12.567  3.6771 219.150 45.278 231.456 41.478 0.000000       0.000000 
1 1 1 7   0  22 o 62.105  39.274 0.3812  2.2136 0.0000  0.0000  0.3812  2.2136 62.105  39.274 62.105  39.274 0.000000       0.000000 
1 1 1 7   0  23 o 286.848 37.533 18.660  4.3432 18.660  4.3432  0.0000  0.0000 286.848 37.533 286.848 37.533 0.000000       0.000000 
1 1 1 7   0  24 o 214.146 30.006 10.416  2.5681 10.683  3.5472  10.122  3.7228 207.980 46.063 198.048 51.363 0.000000       0.000000 
1 1 1 7   0  25 o 86.112  41.170 2.3804  1.7240 1.5124  2.3820  3.3352  2.4983 75.211  44.196 100.995 49.382 0.000000       0.000000 
1 1 1 7   1  0  o 671.768 22.367 96.368  6.3633 90.381  8.9600  102.460 9.0385 646.642 32.827 690.028 30.931 -43.38531      45.10308 
1 1 1 7   1  1  o 537.261 22.141 61.608  5.0376 60.741  7.1191  62.477  7.1295 530.328 31.846 538.008 31.428 -7.680542      44.74259 
1 1 1 7   1  2  o 669.515 15.940 95.287  4.5195 101.438 6.3996  89.167  6.3834 689.590 21.914 646.218 23.325 43.37183       32.00452 
1 1 1 7   1  3  o 635.535 15.915 85.823  4.2833 82.023  6.0455  89.653  6.0697 620.132 23.020 648.518 22.100 -28.38623      31.91155 
1 1 1 7   1  4  o 477.812 15.714 48.487  3.1797 44.852  4.4879  52.151  4.5056 458.167 23.206 494.891 21.498 -36.72464      31.63353 
1 1 1 7   1  5  o 337.725 15.930 24.214  2.2784 27.095  3.2358  21.381  3.2086 356.230 21.551 315.916 24.166 40.31427       32.37955 
1 1 1 7   1  6  o 682.889 16.144 98.966  4.6689 98.504  6.5923  99.430  6.6133 680.531 22.874 683.725 22.840 -3.194519      32.32476 
1 1 1 7   1  7  o 530.722 15.907 59.752  3.5751 55.888  5.0362  63.677  5.0760 512.744 23.193 547.423 21.895 -34.67926      31.89540 
1 1 1 7   1  8  o 211.681 25.626 9.6660  2.2505 9.3264  3.1674  10.012  3.1981 205.769 37.738 213.582 36.679 -7.813309      52.62668 
1 1 1 7   1  9  o 459.825 22.627 44.913  4.4062 44.173  6.1764  45.680  6.2878 454.150 32.325 461.866 32.351 -7.716064      45.73288 
1 1 1 7   1  10 o 868.914 16.878 160.159 6.2107 157.215 8.7683  163.123 8.7984 860.088 24.073 876.148 23.713 -16.05933      33.79047 
1 1 1 7   1  11 o 794.645 16.734 133.964 5.6313 130.331 7.9358  137.648 7.9921 783.020 23.932 804.759 23.450 -21.73938      33.50599 
1 1 1 7   1  12 o 524.963 16.272 58.470  3.6176 63.279  5.1373  53.741  5.0949 545.654 22.232 502.705 23.932 42.94949       32.66504 
1 1 1 7   1  13 o 642.241 16.442 87.534  4.4719 85.515  6.3078  89.574  6.3409 634.058 23.491 648.982 23.071 -14.92316      32.92610 
1 1 1 7   1  14 o 310.987 17.244 20.595  2.2622 20.690  3.1854  20.499  3.2131 310.824 24.395 309.332 24.735 1.492218       34.74106 
1 1 1 7   1  15 o 270.831 25.172 15.754  2.8540 13.283  3.9515  18.450  4.1265 245.789 39.286 291.714 34.043 -45.92484      51.98365 
1 1 1 7   1  16 o 426.862 23.422 38.909  4.2179 40.920  5.9576  36.888  5.9724 436.137 32.489 413.564 34.413 22.57309       47.32648 
1 1 1 7   1  17 o 361.501 16.944 27.768  2.5940 26.156  3.6323  29.444  3.7057 349.323 24.713 370.901 23.716 -21.57849      34.25167 
1 1 1 7   1  18 o 92.533  27.489 1.8580  1.1558 1.6814  1.6780  2.0174  1.5943 94.583  33.492 99.059  32.711 -4.475754      46.81618 
1 1 1 7   1  19 o 325.052 17.277 22.554  2.3698 20.636  3.3393  24.500  3.3637 309.334 25.724 337.676 23.671 -28.34198      34.95802 
1 1 1 7   1  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   1  21 o 363.320 17.073 28.143  2.6269 27.247  3.6884  29.065  3.7421 355.357 24.662 367.197 24.200 -11.84009      34.55230 
1 1 1 7   1  22 o 151.001 26.620 5.0654  1.6400 6.2131  2.0558  3.0561  2.7200 166.677 30.238 122.285 42.694 44.39147       52.31768 
1 1 1 7   1  23 o 246.898 25.124 13.300  2.5903 12.230  3.6641  14.368  3.6623 232.095 38.637 253.369 35.072 -21.27362      52.18129 
1 1 1 7   1  24 o 258.453 18.441 14.399  2.0051 16.226  2.9129  12.754  2.7643 272.312 25.558 240.471 27.647 31.84148       37.65071 
1 1 1 7   1  25 o 216.007 19.569 10.121  1.7707 10.661  2.5996  9.6536  2.4185 218.847 28.744 208.305 28.135 10.54242       40.22211 
1 1 1 7   2  0  o 1045.65 34.543 236.202 15.296 0.0000  0.0000  236.202 15.296 ?       ?      1045.65 34.543 0.000000       34.54271 
1 1 1 7   2  1  o 194.480 23.835 8.1998  1.9219 7.7477  2.7170  8.6527  2.7191 186.409 35.717 197.730 33.679 -11.32111      49.09169 
1 1 1 7   2  2  o 607.198 15.789 78.366  4.0601 77.667  5.7210  79.076  5.7630 603.324 22.391 608.780 22.354 -5.455444      31.63925 
1 1 1 7   2  3  o 901.357 16.694 172.686 6.3723 169.738 8.9853  175.669 9.0385 891.890 23.789 907.417 23.520 -15.52673      33.45345 
1 1 1 7   2  4  o 364.151 15.748 28.162  2.4286 28.388  3.4282  27.935  3.4411 364.389 22.323 361.418 22.596 2.971710       31.76286 
1 1 1 7   2  5  o 532.090 15.798 60.101  3.5599 61.349  5.0365  58.854  5.0325 536.937 22.149 525.853 22.598 11.08374       31.64291 
1 1 1 7   2  6  o 600.912 15.974 76.626  4.0651 79.697  5.7563  73.572  5.7415 612.215 22.202 588.122 23.052 24.09277       32.00541 
1 1 1 7   2  7  o 354.069 15.966 26.595  2.3940 25.620  3.3762  27.580  3.3950 346.404 23.148 359.557 22.408 -13.15286      32.21666 
1 1 1 7   2  8  o 513.950 18.488 56.055  4.0240 54.693  6.9381  56.746  4.9397 505.464 32.586 516.826 22.569 -11.36212      39.63828 
1 1 1 7   2  9  o 212.598 25.167 9.7409  2.2219 12.874  3.1375  6.5882  3.1470 243.919 31.079 172.078 43.237 71.84073       53.24840 
1 1 1 7   2  10 o 670.875 16.330 95.463  4.6394 94.848  6.5325  96.089  6.5901 668.144 23.087 672.497 23.140 -4.353394      32.68713 
1 1 1 7   2  11 o 450.950 16.203 43.137  3.0944 44.358  4.3666  41.905  4.3856 456.904 22.567 443.418 23.438 13.48682       32.53640 
1 1 1 7   2  12 o 673.003 16.461 96.102  4.6915 96.444  6.6028  95.754  6.6672 673.527 23.149 671.079 23.460 2.448242       32.95814 
1 1 1 7   2  13 o 437.631 16.382 40.644  3.0361 38.769  4.2517  42.595  4.3371 426.260 23.645 446.947 22.992 -20.68686      32.98056 
1 1 1 7   2  14 o 639.581 16.498 86.827  4.4686 89.811  6.2855  83.777  6.3541 649.762 22.843 627.415 23.914 22.34668       33.07059 
1 1 1 7   2  15 o 376.005 23.762 30.211  3.7642 31.097  5.3131  29.318  5.3338 379.858 33.367 368.501 34.583 11.35608       48.05539 
1 1 1 7   2  16 o 734.464 23.498 114.857 7.3089 109.791 10.233  120.133 10.443 715.989 33.748 749.159 32.916 -33.16986      47.14239 
1 1 1 7   2  17 o 224.260 19.473 10.778  1.8310 12.607  2.6315  9.0610  2.5493 241.631 26.133 203.539 30.516 38.09207       40.17662 
1 1 1 7   2  18 o 541.204 16.769 62.284  3.8433 64.796  5.4738  59.841  5.3974 550.898 23.463 529.301 24.079 21.59674       33.61990 
1 1 1 7   2  19 o 532.363 16.738 60.311  3.7736 62.425  5.3547  58.225  5.3189 540.330 23.401 521.689 24.075 18.64026       33.57372 
1 1 1 7   2  20 o 322.889 24.597 22.470  3.3380 0.0000  0.0000  22.470  3.3380 ?       ?      322.889 24.597 0.000000       24.59656 
1 1 1 7   2  21 o 348.359 17.286 25.879  2.5501 28.675  3.6508  23.214  3.5637 364.817 23.760 327.531 25.904 37.28598       35.15017 
1 1 1 7   2  22 o 282.386 21.478 17.210  2.5492 19.004  3.1479  13.792  4.3453 295.749 25.379 245.388 43.402 50.36064       50.27746 
1 1 1 7   2  23 o 118.916 33.769 3.1900  1.7801 1.4451  2.3776  5.4155  2.6853 99.533  38.913 153.099 40.712 -53.56583      56.31756 
1 1 1 7   2  24 o 185.116 20.551 7.4604  1.5839 8.4966  2.2888  6.5081  2.1941 195.422 28.494 169.579 31.719 25.84354       42.63783 
1 1 1 7   2  25 o 244.434 18.470 12.908  1.8979 11.929  2.6729  13.902  2.6951 232.041 27.751 251.480 25.666 -19.43929      37.80072 
1 1 1 7   3  0  o 273.374 32.227 16.311  3.6593 0.0000  0.0000  16.311  3.6593 ?       ?      273.374 32.227 0.000000       32.22697 
1 1 1 7   3  1  o 340.092 22.135 24.786  3.1706 24.122  4.4633  25.464  4.5048 333.318 32.013 342.701 31.388 -9.383942      44.83361 
1 1 1 7   3  2  o 643.094 15.794 87.901  4.3015 91.951  6.0553  83.776  6.1116 656.633 21.776 626.499 23.035 30.13397       31.69847 
1 1 1 7   3  3  o 1042.34 17.181 230.972 7.5842 243.535 10.703  218.303 10.748 1068.42 23.655 1011.08 25.102 57.33691       34.49166 
1 1 1 7   3  4  o 604.349 15.841 77.567  4.0542 68.521  5.6833  86.939  5.7850 566.986 23.669 639.046 21.376 -72.05963      31.89320 
1 1 1 7   3  5  o 595.590 15.875 75.300  4.0040 74.632  5.6307  75.984  5.6949 592.201 22.452 597.532 22.505 -5.331238      31.78935 
1 1 1 7   3  6  o 229.644 16.884 11.253  1.6305 11.947  2.3054  10.560  2.3063 235.845 23.391 221.341 25.046 14.50444       34.26982 
1 1 1 7   3  7  o 623.998 18.429 82.650  4.8700 81.541  5.9529  84.894  8.4683 619.408 22.694 630.097 31.839 -10.68951      39.09880 
1 1 1 7   3  8  o 818.352 16.561 142.057 5.7394 149.314 8.1018  134.747 8.1319 838.325 22.820 796.228 24.116 42.09692       33.20192 
1 1 1 7   3  9  o 306.638 23.421 20.093  3.0184 19.848  4.2228  20.349  4.3160 303.312 33.430 307.108 33.741 -3.795929      47.49794 
1 1 1 7   3  10 o 868.278 16.820 159.926 6.1847 154.456 8.7088  165.493 8.7846 852.481 24.123 882.497 23.505 -30.01593      33.68112 
1 1 1 7   3  11 o 327.404 16.582 22.799  2.2916 27.316  3.2653  18.415  3.2169 357.946 21.643 293.055 26.197 64.89023       33.98079 
1 1 1 7   3  12 o 1120.72 17.879 266.600 8.4855 276.151 11.980  256.985 12.020 1139.34 24.830 1098.88 25.830 40.45837       35.82883 
1 1 1 7   3  13 f 380.591 16.463 30.741  2.6535 31.462  3.7723  30.034  3.7332 383.899 23.313 375.011 23.628 8.888092       33.19291 
1 1 1 7   3  14 o 505.112 16.441 54.155  3.5169 56.093  4.9696  52.211  4.9777 513.495 22.853 495.316 23.730 18.17853       32.94491 
1 1 1 7   3  15 o 398.101 23.958 33.857  4.0203 38.242  5.7019  29.522  5.6694 421.766 32.165 369.332 36.735 52.43466       48.82680 
1 1 1 7   3  16 o 480.319 23.144 49.116  4.7078 55.354  6.6535  42.862  6.6621 507.885 31.084 445.695 35.593 62.18942       47.25554 
1 1 1 7   3  17 o 458.293 16.928 44.630  3.2854 43.467  4.5916  45.851  4.7030 450.830 24.137 463.076 24.064 -12.24579      34.08380 
1 1 1 7   3  18 o 138.201 25.538 4.2110  1.4396 3.6783  2.0229  4.7578  2.0493 128.648 35.812 145.787 33.843 -17.13907      49.27313 
1 1 1 7   3  19 o 190.627 20.637 7.8421  1.6394 7.3657  2.3303  8.3089  2.3069 182.472 31.282 194.624 28.864 -12.15158      42.56369 
1 1 1 7   3  20 o 208.532 29.813 9.5522  2.5579 0.0000  0.0000  9.5522  2.5579 ?       ?      208.532 29.813 0.000000       29.81285 
1 1 1 7   3  21 o 509.632 19.742 55.510  4.2608 54.433  7.5021  56.022  5.1768 498.257 35.792 510.871 23.928 -12.61401      43.05391 
1 1 1 7   3  22 o 488.212 19.673 51.053  4.0675 52.458  4.9763  48.224  7.0601 493.578 23.807 467.073 35.970 26.50592       43.13458 
1 1 1 7   3  23 o 391.230 24.317 33.159  4.0089 0.0000  0.0000  33.159  4.0089 ?       ?      391.230 24.317 0.000000       24.31681 
1 1 1 7   3  24 o 310.464 20.832 20.843  2.7231 11.271  4.7928  25.406  3.3091 215.351 52.929 342.161 22.970 -126.8103      57.69818 
1 1 1 7   3  25 o 215.291 23.405 10.157  2.0995 7.4579  3.9599  11.212  2.4762 175.430 50.544 225.314 26.455 -49.88412      57.04840 
1 1 1 7   4  0  o 356.853 31.068 27.596  4.6482 0.0000  0.0000  27.596  4.6482 ?       ?      356.853 31.068 0.000000       31.06771 
1 1 1 7   4  1  o 484.383 31.790 50.689  6.4849 0.0000  0.0000  50.689  6.4849 ?       ?      484.383 31.790 0.000000       31.78977 
1 1 1 7   4  2  o 249.613 15.887 13.295  1.6707 11.131  2.3358  15.563  2.3906 226.952 24.701 269.404 21.123 -42.45250      32.50150 
1 1 1 7   4  3  o 507.251 15.527 54.657  3.3353 55.520  4.6778  53.764  4.7570 510.476 21.638 502.234 22.366 8.242523       31.11972 
1 1 1 7   4  4  o 706.569 16.001 106.024 4.7881 105.913 6.7331  106.136 6.8102 705.181 22.546 705.879 22.782 -0.6981201     32.05202 
1 1 1 7   4  5  o 380.990 15.611 30.809  2.5187 28.119  3.5301  33.597  3.5948 362.747 23.099 396.867 21.469 -34.12061      31.53546 
1 1 1 7   4  6  f 436.744 15.711 40.472  2.9059 40.400  4.1031  40.544  4.1160 435.341 22.331 436.112 22.361 -0.7715759     31.60192 
1 1 1 7   4  7  o 1007.23 24.271 215.724 10.353 222.049 14.679  209.464 14.604 1019.84 33.988 990.321 34.821 29.52356       48.65881 
1 1 1 7   4  8  o 687.086 16.160 100.131 4.7022 105.257 6.6403  94.974  6.6595 703.924 22.275 668.532 23.522 35.39130       32.39533 
1 1 1 7   4  9  o 970.636 24.230 200.225 9.9597 202.126 13.967  198.260 14.206 973.529 33.878 963.986 34.798 9.542969       48.56594 
1 1 1 7   4  10 o 757.153 16.504 121.604 5.2921 123.696 7.4574  119.481 7.5112 762.998 23.079 749.819 23.654 13.17828       33.04790 
1 1 1 7   4  11 o 1240.43 18.348 326.568 9.6385 328.107 13.604  325.017 13.658 1241.91 25.866 1236.00 26.093 5.911499       36.74109 
1 1 1 7   4  12 o 941.649 17.180 188.181 6.8512 191.171 9.6708  185.168 9.7075 948.066 24.087 932.980 24.569 15.08624       34.40673 
1 1 1 7   4  13 o 528.049 16.363 59.175  3.6592 64.330  5.1922  54.088  5.1578 550.040 22.290 504.176 24.157 45.86429       32.86941 
1 1 1 7   4  14 o 836.657 16.995 148.605 6.0217 153.654 8.4982  143.515 8.5338 849.724 23.616 821.048 24.543 28.67615       34.05988 
1 1 1 7   4  15 o 564.579 19.044 67.722  4.5534 70.540  5.5649  62.015  7.9206 575.780 22.822 537.010 35.020 38.77057       41.80016 
1 1 1 7   4  16 o 222.767 27.772 10.751  2.5631 13.042  3.5498  8.2557  3.7046 244.190 35.356 191.630 46.191 52.55986       58.16906 
1 1 1 7   4  17 o 490.119 16.858 51.046  3.4990 41.943  4.8625  60.820  5.0387 442.437 26.067 534.285 22.269 -91.84750      34.28420 
1 1 1 7   4  18 o 421.927 16.902 37.862  3.0200 39.216  4.2383  36.465  4.3044 427.906 23.478 412.315 24.766 15.59106       34.12577 
1 1 1 7   4  19 o 534.919 16.800 60.900  3.8057 60.826  5.3448  60.975  5.4202 533.255 23.668 533.839 23.975 -0.5836182     33.68917 
1 1 1 7   4  20 o 388.445 24.636 32.472  4.0317 0.0000  0.0000  32.472  4.0317 ?       ?      388.445 24.636 0.000000       24.63618 
1 1 1 7   4  21 o 544.554 19.872 63.394  4.5828 70.521  8.0918  60.028  5.5605 568.350 33.771 528.488 24.845 39.86261       41.92552 
1 1 1 7   4  22 o 215.297 29.388 10.240  2.6095 16.283  3.9985  5.7572  3.4441 270.039 35.850 158.157 47.560 111.8824       59.55810 
1 1 1 7   4  23 o 423.348 24.672 38.837  4.4041 0.0000  0.0000  38.837  4.4041 ?       ?      423.348 24.672 0.000000       24.67172 
1 1 1 7   4  24 o 232.737 22.340 11.796  2.1748 11.648  3.8683  11.864  2.6298 223.723 42.380 231.867 27.305 -8.143738      50.41489 
1 1 1 7   4  25 o 158.417 26.052 5.6010  1.6870 7.8527  3.0968  4.6509  2.0117 182.805 41.011 142.000 33.919 40.80487       53.22036 
1 1 1 7   5  0  o 629.224 22.189 84.517  5.9127 0.0000  0.0000  84.517  5.9127 ?       ?      629.224 22.189 0.000000       22.18881 
1 1 1 7   5  1  o 414.636 31.832 37.194  5.5468 0.0000  0.0000  37.194  5.5468 ?       ?      414.636 31.832 0.000000       31.83181 
1 1 1 7   5  2  o 415.171 15.480 36.624  2.7217 36.759  3.8110  36.484  3.8883 414.675 21.778 413.019 22.313 1.655884       31.17928 
1 1 1 7   5  3  o 379.059 15.546 30.520  2.4955 31.127  3.5080  29.898  3.5508 381.628 21.796 373.868 22.532 7.759644       31.34874 
1 1 1 7   5  4  o 347.568 15.482 25.648  2.2788 27.560  3.2089  23.703  3.2368 359.251 21.185 332.798 23.109 26.45328       31.35066 
1 1 1 7   5  5  o 754.842 16.168 120.950 5.1683 125.717 7.2767  116.098 7.3420 768.703 22.353 738.528 23.475 30.17493       32.41463 
1 1 1 7   5  6  o 967.269 16.953 198.571 6.9444 196.457 9.7749  200.726 9.8674 960.984 24.019 971.376 23.987 -10.39142      33.94506 
1 1 1 7   5  7  o 281.305 22.902 16.928  2.7046 15.695  3.7674  18.240  3.8851 269.109 33.804 290.716 32.092 -21.60724      46.61089 
1 1 1 7   5  8  o 440.751 18.362 41.223  3.4273 42.919  5.8731  40.347  4.2205 447.753 31.167 435.176 22.983 12.57718       38.72476 
1 1 1 7   5  9  o 585.145 16.022 72.618  3.9702 71.277  5.5637  74.009  5.6673 579.246 22.681 590.247 22.673 -11.00061      32.06947 
1 1 1 7   5  10 o 1764.01 24.370 661.463 18.205 648.317 31.523  668.041 22.300 1739.38 42.795 1771.09 29.732 -31.70544      52.10977 
1 1 1 7   5  11 o 419.013 16.147 37.245  2.8653 41.019  4.0440  33.441  4.0603 439.401 21.732 395.836 24.339 43.56525       32.62966 
1 1 1 7   5  12 o 940.571 17.178 187.755 6.8424 179.990 9.6350  195.656 9.7189 919.785 24.736 959.125 23.928 -39.33960      34.41478 
1 1 1 7   5  13 o 457.305 16.326 44.382  3.1617 44.154  4.4461  44.615  4.4971 455.028 23.149 457.385 23.294 -2.357605      32.84040 
1 1 1 7   5  14 o 272.332 20.419 15.851  2.3378 18.539  4.0119  14.469  2.8766 292.664 32.943 259.245 26.577 33.41983       42.32679 
1 1 1 7   5  15 o 841.582 24.238 150.800 8.6386 146.593 12.226  154.995 12.208 827.324 34.894 850.979 33.875 -23.65497      48.63255 
1 1 1 7   5  16 o 223.225 38.947 11.015  3.5479 0.0000  0.0000  11.015  3.5479 ?       ?      223.225 38.947 0.000000       38.94740 
1 1 1 7   5  17 o 678.518 19.659 97.966  5.6488 96.939  9.9144  98.459  6.8736 670.508 35.037 679.431 23.889 -8.922241      42.40633 
1 1 1 7   5  18 o 418.327 19.785 37.282  3.5051 41.625  6.1477  35.191  4.2665 438.356 33.367 404.940 25.002 33.41641       41.69455 
1 1 1 7   5  19 o 353.733 25.525 26.947  3.7981 25.457  5.2340  28.605  5.5200 340.654 36.869 361.407 36.569 -20.75232      51.92918 
1 1 1 7   5  20 o 326.875 20.967 22.922  2.8872 27.699  5.2008  20.794  3.4712 355.611 34.987 309.990 26.702 45.62088       44.01242 
1 1 1 7   5  21 o 241.808 27.267 12.759  2.7435 13.187  4.0272  12.389  3.7476 241.694 40.798 234.691 39.080 7.003021       56.49565 
1 1 1 7   5  22 o 175.443 31.883 6.9094  2.2816 6.4188  3.5381  7.2587  2.9853 166.083 47.754 177.462 40.603 -11.37808      62.68215 
1 1 1 7   5  23 o 530.468 24.183 60.750  5.4326 0.0000  0.0000  60.750  5.4326 ?       ?      530.468 24.183 0.000000       24.18261 
1 1 1 7   5  24 o 278.022 21.542 16.764  2.5165 15.214  4.3874  17.524  3.0721 256.631 41.809 282.814 25.939 -26.18332      49.20235 
1 1 1 7   5  25 o 103.294 31.656 2.3762  1.5158 -1.6477 2.7715  4.0934  1.8105 79.311  36.374 133.463 32.366 -54.15193      48.68930 
1 1 1 7   6  0  o 826.426 22.877 145.852 8.0067 0.0000  0.0000  145.852 8.0067 ?       ?      826.426 22.877 0.000000       22.87726 
1 1 1 7   6  1  o 510.586 21.783 55.607  4.7102 58.813  6.5800  52.237  6.7455 522.618 29.854 491.638 32.583 30.97983       44.19196 
1 1 1 7   6  2  o 262.184 18.659 14.699  2.0583 13.247  3.4666  15.490  2.5580 245.873 34.221 268.563 22.704 -22.68990      41.06727 
1 1 1 7   6  3  o 299.009 18.696 19.088  2.3556 18.713  3.9775  19.291  2.9234 293.596 32.537 299.941 23.195 -6.344849      39.95861 
1 1 1 7   6  4  o 1099.59 20.081 257.135 9.3508 254.829 16.053  258.320 11.504 1089.92 34.779 1100.90 24.675 -10.97461      42.64295 
1 1 1 7   6  5  o 312.791 18.717 20.858  2.4679 22.679  4.2446  19.927  3.0333 324.343 31.291 305.081 23.663 19.26178       39.23082 
1 1 1 7   6  6  o 742.088 18.742 116.930 5.8901 95.863  10.042  127.979 7.2725 668.598 35.595 775.935 22.132 -107.3369      41.91394 
1 1 1 7   6  7  o 532.050 22.270 60.146  5.0179 58.049  7.0449  62.306  7.1489 520.766 32.100 539.706 31.414 -18.94037      44.91394 
1 1 1 7   6  8  o 1216.40 36.640 316.002 18.875 0.0000  0.0000  316.002 18.875 ?       ?      1216.40 36.640 0.000000       36.64040 
1 1 1 7   6  9  o 412.769 18.447 36.155  3.2247 35.005  5.5387  36.744  3.9662 403.931 32.658 415.283 22.637 -11.35104      39.73664 
1 1 1 7   6  10 o 681.942 18.942 98.706  5.4703 101.101 9.4078  97.482  6.7238 688.610 32.260 677.273 23.443 11.33710       39.87839 
1 1 1 7   6  11 f 739.805 19.086 116.193 5.9795 115.922 10.276  116.332 7.3524 737.046 32.923 739.753 23.469 -2.707031      40.43187 
1 1 1 7   6  12 o 248.831 20.201 13.239  2.1104 12.256  3.6311  13.740  2.5934 236.466 37.512 252.964 24.516 -16.49777      44.81293 
1 1 1 7   6  13 o 659.774 19.004 92.460  5.3100 87.820  9.1403  94.823  6.5237 639.990 33.845 667.663 23.073 -27.67365      40.96096 
1 1 1 7   6  14 o 330.179 19.673 23.247  2.7384 21.864  4.6885  23.964  3.3736 317.608 35.463 334.688 23.960 -17.08017      42.79878 
1 1 1 7   6  15 f 1324.79 21.918 373.328 12.297 337.767 21.218  391.312 15.089 1253.50 39.971 1354.97 26.296 -101.4713      47.84489 
1 1 1 7   6  16 o 417.797 23.800 37.302  4.1935 0.0000  0.0000  37.302  4.1935 ?       ?      417.797 23.800 0.000000       23.79982 
1 1 1 7   6  17 o 398.536 20.055 33.893  3.3739 31.674  5.8373  35.006  4.1345 381.781 36.551 404.334 24.258 -22.55249      43.86802 
1 1 1 7   6  18 o 428.272 19.734 39.080  3.5791 44.159  6.3503  36.715  4.3328 451.471 33.452 413.642 24.849 37.82932       41.67170 
1 1 1 7   6  19 o 81.233  32.937 0.6160  1.7654 2.7438  2.3047  -2.4053 2.7463 116.000 39.345 75.739  35.251 40.26087       52.82649 
1 1 1 7   6  20 o 164.746 26.596 5.9737  1.7923 4.9562  3.2590  6.4149  2.1460 149.499 46.518 169.844 30.978 -20.34515      55.88862 
1 1 1 7   6  21 o 300.486 37.730 20.082  4.6953 20.082  4.6953  0.0000  0.0000 300.486 37.730 ?       ?      0.000000       37.72952 
1 1 1 7   6  22 o 94.193  34.308 1.6309  1.7749 1.8747  2.7643  1.4600  2.3152 109.078 42.148 99.001  38.483 10.07678       57.07376 
1 1 1 7   6  23 o 532.509 24.494 61.265  5.5236 0.0000  0.0000  61.265  5.5236 ?       ?      532.509 24.494 0.000000       24.49368 
1 1 1 7   6  24 o 347.928 20.796 26.170  3.0501 20.667  5.2766  28.931  3.7379 299.128 42.880 364.526 24.354 -65.39822      49.31357 
1 1 1 7   6  25 o 186.880 26.433 7.7576  2.0336 7.7669  3.7035  7.7536  2.4332 179.409 47.860 184.828 32.260 -5.418732      57.71730 
1 1 1 7   7  0  o 910.522 23.107 177.054 8.9101 0.0000  0.0000  177.054 8.9101 ?       ?      910.522 23.107 0.000000       23.10723 
1 1 1 7   7  1  f 624.957 21.759 83.285  5.7588 80.277  8.0355  86.462  8.2574 610.558 31.181 634.557 30.728 -23.99872      43.77729 
1 1 1 7   7  2  o 150.183 22.741 4.9157  1.4011 1.9609  2.2878  6.6890  1.7723 105.972 38.897 175.361 24.537 -69.38821      45.98980 
1 1 1 7   7  3  o 279.803 18.900 16.724  2.2264 17.223  3.8274  16.469  2.7371 281.565 32.707 276.975 23.559 4.589722       40.30863 
1 1 1 7   7  4  o 977.809 19.432 203.247 8.0465 217.005 13.832  196.210 9.8926 1006.85 32.440 959.664 24.342 47.18414       40.55730 
1 1 1 7   7  5  o 445.985 18.172 42.241  3.4322 39.826  5.8409  43.514  4.2418 430.515 32.272 452.337 22.143 -21.82248      39.13785 
1 1 1 7   7  6  o 762.130 18.782 123.323 6.0618 119.448 10.413  125.310 7.4554 747.981 32.873 767.736 22.930 -19.75507      40.08030 
1 1 1 7   7  7  o 448.168 22.796 42.790  4.3124 46.437  6.0816  39.101  6.1157 465.766 31.010 426.702 34.130 39.06357       46.11322 
1 1 1 7   7  8  o 703.857 32.840 105.627 9.7888 0.0000  0.0000  105.627 9.7888 ?       ?      703.857 32.840 0.000000       32.83989 
1 1 1 7   7  9  o 754.107 18.963 120.693 6.0561 115.965 10.428  123.100 7.4391 737.401 33.394 761.164 23.078 -23.76379      40.59232 
1 1 1 7   7  10 o 637.114 18.737 86.155  5.0554 92.936  8.7108  82.711  6.2079 660.331 31.150 623.826 23.498 36.50537       39.01886 
1 1 1 7   7  11 o 698.595 18.947 103.611 5.6053 105.038 9.6446  102.883 6.8880 701.611 32.460 695.661 23.381 5.949890       40.00360 
1 1 1 7   7  12 o 328.252 19.085 22.959  2.6416 24.151  4.5099  22.337  3.2592 334.816 32.204 323.164 23.986 11.65152       40.15470 
1 1 1 7   7  13 o 593.305 18.894 74.769  4.7472 71.459  8.1149  76.492  5.8533 577.192 33.341 599.645 23.050 -22.45215      40.53254 
1 1 1 7   7  14 o 698.824 23.527 103.936 6.9627 109.433 9.8744  98.502  9.8192 715.390 32.593 677.521 34.335 37.86926       47.34103 
1 1 1 7   7  15 o 282.353 25.647 17.125  3.0333 8.6159  4.1966  26.434  4.3894 195.679 50.350 350.587 29.848 -154.9079      58.53231 
1 1 1 7   7  16 o 410.805 23.700 36.071  4.1056 0.0000  0.0000  36.071  4.1056 ?       ?      410.805 23.700 0.000000       23.69970 
1 1 1 7   7  17 o 323.657 20.685 22.398  2.8204 22.297  4.9413  22.448  3.4349 319.493 37.218 323.239 25.294 -3.746307      44.99982 
1 1 1 7   7  18 o 395.051 20.033 33.347  3.3405 30.957  5.8373  34.511  4.0735 376.445 37.098 401.107 24.092 -24.66165      44.23439 
1 1 1 7   7  19 o 349.817 25.709 26.374  3.7819 28.917  5.2684  23.671  5.4322 363.884 34.604 327.176 40.042 36.70764       52.92262 
1 1 1 7   7  20 o 239.791 21.939 12.400  2.2032 14.747  3.8990  11.300  2.6704 257.843 36.747 227.390 28.346 30.45334       46.40918 
1 1 1 7   7  21 o 523.813 34.273 60.112  7.5608 60.112  7.5608  0.0000  0.0000 523.813 34.273 ?       ?      0.000000       34.27294 
1 1 1 7   7  22 o 302.279 25.417 19.872  3.2235 21.645  4.7044  18.303  4.4257 311.456 36.350 285.635 37.493 25.82159       52.22115 
1 1 1 7   7  23 o 377.453 20.393 30.685  3.2477 26.903  5.6011  32.601  3.9863 345.687 38.938 387.702 24.403 -42.01514      45.95322 
1 1 1 7   7  24 o 378.057 20.616 30.882  3.2883 19.381  5.5665  37.046  4.0754 286.695 47.511 413.017 23.396 -126.3221      52.95938 
1 1 1 7   7  25 o 234.994 22.925 12.071  2.2524 9.7635  3.7873  13.333  2.8017 202.305 45.329 245.503 27.416 -43.19849      52.97523 
1 1 1 7   8  0  o 391.743 21.585 32.827  3.5672 0.0000  0.0000  32.827  3.5672 ?       ?      391.743 21.585 0.000000       21.58536 
1 1 1 7   8  1  o 719.105 18.001 110.005 5.4819 110.323 9.3613  109.838 6.7627 716.948 30.832 717.686 22.251 -0.7380371     38.02247 
1 1 1 7   8  2  o 558.791 17.738 66.389  4.1975 72.792  7.1723  63.054  5.1766 583.111 29.044 543.898 22.474 39.21246       36.72427 
1 1 1 7   8  3  o 799.130 18.502 135.755 6.2614 131.935 10.713  137.736 7.7165 784.679 32.238 804.154 22.659 -19.47406      39.40490 
1 1 1 7   8  4  o 410.346 17.938 35.769  3.1172 36.863  5.3486  35.206  3.8361 414.192 30.711 406.134 22.390 8.057770       38.00667 
1 1 1 7   8  5  o 801.096 18.764 136.299 6.3659 135.225 10.944  136.848 7.8262 795.545 32.483 802.096 23.040 -6.550720      39.82473 
1 1 1 7   8  6  o 485.344 18.308 50.003  3.7631 54.989  6.5140  47.506  4.6102 506.949 30.483 472.725 23.028 34.22354       38.20412 
1 1 1 7   8  7  o 236.586 26.164 12.050  2.5775 13.019  3.6615  11.098  3.6290 244.258 36.518 224.537 39.612 19.72050       53.87651 
1 1 1 7   8  8  o 958.644 34.483 196.074 13.999 0.0000  0.0000  196.074 13.999 ?       ?      958.644 34.483 0.000000       34.48348 
1 1 1 7   8  9  o 1025.47 19.987 223.247 8.6800 215.462 14.885  227.258 10.685 1004.74 34.982 1033.98 24.401 -29.23529      42.65158 
1 1 1 7   8  10 o 608.420 18.726 78.572  4.8248 85.345  8.3152  75.135  5.9241 632.767 31.030 594.546 23.529 38.22137       38.94178 
1 1 1 7   8  11 o 768.467 19.185 125.390 6.2434 128.499 10.761  123.812 7.6654 775.896 32.751 763.061 23.721 12.83508       40.43882 
1 1 1 7   8  12 o 697.689 19.049 103.381 5.6284 98.215  9.6782  106.020 6.9186 677.877 33.713 706.038 23.139 -28.16132      40.89003 
1 1 1 7   8  13 o 527.684 18.851 59.147  4.2125 61.621  7.2256  57.873  5.1848 536.093 31.972 521.518 23.476 14.57526       39.66502 
1 1 1 7   8  14 o 384.346 23.568 31.558  3.8175 33.122  5.4128  30.011  5.3849 392.185 32.894 372.865 34.493 19.32071       47.66290 
1 1 1 7   8  15 o 607.028 33.564 79.121  8.5948 0.0000  0.0000  79.121  8.5948 ?       ?      607.028 33.564 0.000000       33.56384 
1 1 1 7   8  16 o 480.693 19.036 49.127  3.8751 49.368  6.6640  49.004  4.7631 478.814 33.067 479.585 23.452 -0.7708130     40.53927 
1 1 1 7   8  17 o 589.778 19.309 74.036  4.8227 76.466  8.3322  72.811  5.9140 595.502 33.171 584.076 23.909 11.42596       40.88992 
1 1 1 7   8  18 o 667.046 19.597 94.826  5.5358 106.930 9.7108  88.998  6.7378 704.367 32.554 645.014 24.666 59.35333       40.84390 
1 1 1 7   8  19 o 508.775 34.609 56.328  7.4126 0.0000  0.0000  56.328  7.4126 ?       ?      508.775 34.609 0.000000       34.60894 
1 1 1 7   8  20 o 316.229 20.845 21.467  2.7760 15.734  4.8766  24.215  3.3764 263.467 45.342 335.244 23.939 -71.77713      51.27352 
1 1 1 7   8  21 o 245.637 41.998 13.702  4.2118 13.702  4.2118  0.0000  0.0000 245.637 41.998 ?       ?      0.000000       41.99760 
1 1 1 7   8  22 o 485.059 34.512 51.947  7.0431 0.0000  0.0000  51.947  7.0431 ?       ?      485.059 34.512 0.000000       34.51208 
1 1 1 7   8  23 o 255.898 22.401 14.212  2.4032 11.096  4.1772  15.754  2.9381 217.136 46.805 268.363 26.186 -51.22676      53.63247 
1 1 1 7   8  24 o 282.314 21.793 17.310  2.5853 14.963  4.6094  18.386  3.1227 252.516 44.741 289.620 25.728 -37.10387      51.61111 
1 1 1 7   8  25 o 529.384 20.021 60.404  4.4884 57.912  7.7877  61.644  5.4924 506.996 36.516 532.545 24.353 -25.54889      43.89173 
1 1 1 7   9  0  o 692.647 21.333 102.271 6.2576 100.498 8.6577  104.210 9.0547 684.421 29.870 696.695 30.689 -12.27399      42.82603 
1 1 1 7   9  1  o 653.572 17.639 90.834  4.8822 88.590  8.2456  92.046  6.0584 642.790 30.291 657.187 21.768 -14.39722      37.30118 
1 1 1 7   9  2  o 515.739 17.564 56.538  3.8362 51.993  6.4735  58.998  4.7626 491.582 31.258 526.356 21.366 -34.77444      37.86234 
1 1 1 7   9  3  o 822.640 18.514 143.832 6.4499 146.520 11.042  142.439 7.9463 827.373 31.515 817.834 22.943 9.539001       38.98218 
1 1 1 7   9  4  o 1357.57 21.245 391.923 12.214 399.861 21.031  387.883 15.004 1365.63 36.365 1349.04 26.262 16.59509       44.85664 
1 1 1 7   9  5  o 377.721 18.321 30.294  2.9307 27.490  4.9482  31.809  3.6374 357.223 33.084 386.154 22.338 -28.93082      39.91926 
1 1 1 7   9  6  o 487.203 22.095 50.440  4.5588 57.754  6.4529  43.152  6.4413 519.805 29.435 448.259 34.189 71.54605       45.11440 
1 1 1 7   9  7  o 548.335 18.325 63.808  4.2554 60.376  7.2910  65.581  5.2406 531.129 32.572 555.607 22.272 -24.47845      39.45891 
1 1 1 7   9  8  f 838.328 33.566 149.894 11.917 0.0000  0.0000  149.894 11.917 ?       ?      838.328 33.566 0.000000       33.56637 
1 1 1 7   9  9  o 1221.12 20.920 316.655 10.819 328.430 18.666  310.700 13.276 1240.24 35.540 1208.64 25.937 31.59558       43.99762 
1 1 1 7   9  10 o 457.815 18.614 44.489  3.6089 51.617  6.2623  40.944  4.4160 491.235 30.249 438.209 23.886 53.02588       38.54295 
1 1 1 7   9  11 o 855.735 19.429 155.509 7.0411 150.037 12.072  158.330 8.6681 838.032 34.016 862.847 23.722 -24.81494      41.47091 
1 1 1 7   9  12 o 238.211 21.493 12.159  2.1449 11.856  3.6839  12.315  2.6382 232.134 38.846 239.010 26.511 -6.876236      47.03046 
1 1 1 7   9  13 o 270.061 21.049 15.598  2.3883 15.320  4.0298  15.749  2.9652 264.893 36.927 270.636 26.200 -5.742828      45.27718 
1 1 1 7   9  14 o 543.245 23.531 62.817  5.4136 62.988  7.5519  62.635  7.7644 541.631 33.083 539.868 34.136 1.762817       47.53682 
1 1 1 7   9  15 f 1165.94 36.841 291.775 18.191 0.0000  0.0000  291.775 18.191 ?       ?      1165.94 36.841 0.000000       36.84148 
1 1 1 7   9  16 o 655.156 19.318 91.285  5.3598 92.992  9.2504  90.422  6.5761 657.617 33.325 651.311 23.842 6.305298       40.97495 
1 1 1 7   9  17 o 423.375 19.599 38.166  3.5140 32.275  5.9663  41.294  4.3482 384.940 37.057 439.249 23.460 -54.30899      43.85858 
1 1 1 7   9  18 o 380.129 20.035 30.894  3.2139 28.779  5.5479  31.962  3.9429 362.753 36.615 385.812 24.256 -23.05975      43.92047 
1 1 1 7   9  19 o 354.329 37.025 27.580  5.4738 0.0000  0.0000  27.580  5.4738 ?       ?      354.329 37.025 0.000000       37.02530 
1 1 1 7   9  20 o 261.400 22.048 14.728  2.4180 12.197  4.3497  15.860  2.9088 230.899 46.097 270.503 25.701 -39.60417      52.77816 
1 1 1 7   9  21 f 261.904 39.625 15.450  4.2576 15.450  4.2576  0.0000  0.0000 261.904 39.625 ?       ?      0.000000       39.62482 
1 1 1 7   9  22 o 309.520 36.819 21.432  4.7314 0.0000  0.0000  21.432  4.7314 ?       ?      309.520 36.819 0.000000       36.81857 
1 1 1 7   9  23 o 423.185 20.094 38.473  3.6012 48.414  6.3671  33.798  4.3667 468.436 32.293 393.803 26.336 74.63232       41.67047 
1 1 1 7   9  24 o 176.748 26.123 6.9411  1.8964 5.4918  3.4197  7.5848  2.2790 152.839 47.667 183.506 30.389 -30.66704      56.52996 
1 1 1 7   9  25 o 336.046 21.140 24.483  2.9932 19.768  5.0812  26.989  3.7040 291.695 42.373 351.260 25.065 -59.56485      49.23120 
1 1 1 7   10 0  o 535.356 20.622 61.051  4.6753 62.999  6.4656  58.915  6.7686 541.700 28.282 523.160 30.685 18.54047       41.73080 
1 1 1 7   10 1  o 611.580 21.076 79.660  5.4586 76.321  7.5443  83.329  7.9077 596.136 29.979 623.669 29.940 -27.53253      42.36929 
1 1 1 7   10 2  o 493.061 21.146 51.746  4.4155 55.675  6.1689  47.619  6.3229 509.537 28.705 470.381 31.930 39.15555       42.93659 
1 1 1 7   10 3  o 677.815 17.910 97.605  5.1411 94.527  8.7370  99.235  6.3584 664.849 31.031 682.881 21.987 -18.03217      38.03088 
1 1 1 7   10 4  o 529.770 17.787 59.597  3.9906 58.190  6.8149  60.331  4.9228 521.066 31.024 532.640 21.824 -11.57361      37.93103 
1 1 1 7   10 5  o 700.813 18.273 104.271 5.4233 102.440 9.2925  105.216 6.6787 692.812 31.672 703.517 22.417 -10.70581      38.80243 
1 1 1 7   10 6  o 840.646 22.991 150.197 8.1848 159.472 11.540  140.810 11.610 864.797 31.510 812.205 33.754 52.59204       46.17641 
1 1 1 7   10 7  o 133.651 32.046 3.9601  1.7903 0.0000  0.0000  3.9601  1.7903 ?       ?      133.651 32.046 0.000000       32.04568 
1 1 1 7   10 8  o 431.654 22.540 39.692  4.1060 37.522  5.6981  42.035  5.9218 418.287 32.420 442.974 31.778 -24.68790      45.39739 
1 1 1 7   10 9  o 1383.55 21.761 406.627 12.750 416.280 21.988  401.737 15.649 1395.58 37.204 1374.04 26.894 21.53723       45.90675 
1 1 1 7   10 10 o 309.882 19.852 20.474  2.5915 32.452  4.5454  14.706  3.1543 389.428 27.743 261.161 29.011 128.2673       40.14083 
1 1 1 7   10 11 o 205.427 22.892 9.0828  1.9576 5.8384  3.3265  10.802  2.4213 162.581 46.161 223.772 26.037 -61.19110      52.99754 
1 1 1 7   10 12 o 479.468 18.932 48.829  3.8442 45.634  6.5821  50.484  4.7358 460.718 33.975 487.167 22.955 -26.44888      41.00250 
1 1 1 7   10 13 o 192.211 24.169 7.9872  1.9239 4.6546  3.3573  9.6166  2.3475 148.153 47.364 210.727 26.921 -62.57404      54.47965 
1 1 1 7   10 14 o 1070.37 25.053 244.059 11.356 229.960 15.966  258.496 16.157 1035.55 36.407 1098.55 34.729 -62.99463      50.31438 
1 1 1 7   10 15 o 729.527 33.890 114.029 10.470 0.0000  0.0000  114.029 10.470 ?       ?      729.527 33.890 0.000000       33.89000 
1 1 1 7   10 16 o 517.364 19.568 56.943  4.2873 50.823  7.3603  60.085  5.2744 484.786 36.110 530.907 23.459 -46.12155      43.06121 
1 1 1 7   10 17 o 483.612 19.536 49.808  4.0011 55.065  6.8643  47.102  4.9240 505.031 32.263 468.820 24.890 36.21127       40.74862 
1 1 1 7   10 18 o 222.774 23.716 10.731  2.2030 19.179  3.9169  6.8214  2.6644 296.710 31.661 174.175 37.250 122.5343       48.88716 
1 1 1 7   10 19 o 408.331 35.655 36.473  6.1038 0.0000  0.0000  36.473  6.1038 ?       ?      408.331 35.655 0.000000       35.65500 
1 1 1 7   10 20 o 203.468 24.674 9.0147  2.0826 10.383  3.5453  8.2935  2.5734 214.182 40.572 193.059 32.640 21.12350       52.07098 
1 1 1 7   10 21 o 281.653 39.355 17.838  4.5660 17.838  4.5660  0.0000  0.0000 281.653 39.355 ?       ?      0.000000       39.35546 
1 1 1 7   10 22 o 329.083 35.864 24.147  4.9172 0.0000  0.0000  24.147  4.9172 ?       ?      329.083 35.864 0.000000       35.86361 
1 1 1 7   10 23 o 523.096 19.869 58.793  4.4015 63.872  7.6402  56.270  5.3848 536.997 33.768 509.620 24.951 27.37717       41.98578 
1 1 1 7   10 24 o 244.181 22.056 12.992  2.2562 10.171  3.9894  14.319  2.7357 205.989 46.796 255.214 25.659 -49.22447      53.36923 
1 1 1 7   10 25 o 389.922 20.595 32.899  3.3888 37.811  6.0579  30.661  4.0883 409.935 35.237 374.031 25.971 35.90326       43.77432 
1 1 1 7   11 0  o 406.771 20.212 35.227  3.4817 33.276  4.7927  37.408  5.0665 393.187 28.987 417.032 28.865 -23.84415      40.90806 
1 1 1 7   11 1  f 647.008 21.004 89.119  5.7551 90.648  7.9554  87.439  8.3357 650.989 28.856 638.913 30.808 12.07568       42.21141 
1 1 1 7   11 2  o 366.367 21.162 28.655  3.2693 27.837  4.4939  29.575  4.7650 359.637 29.774 370.598 30.636 -10.96017      42.72035 
1 1 1 7   11 3  o 508.988 21.198 55.097  4.5693 55.184  6.3435  55.003  6.5872 507.491 29.645 506.408 30.863 1.082520       42.79431 
1 1 1 7   11 4  o 368.417 21.772 28.957  3.3818 28.291  4.6759  29.687  4.8970 362.792 30.723 371.577 31.414 -8.784821      43.94040 
1 1 1 7   11 5  o 849.146 18.659 153.083 6.7099 155.650 11.437  151.736 8.2856 854.124 31.620 844.798 23.159 9.325806       39.19408 
1 1 1 7   11 6  o 620.224 22.199 81.730  5.8307 76.938  8.1523  86.750  8.3426 599.797 32.212 637.975 30.878 -38.17810      44.62192 
1 1 1 7   11 7  o 974.259 34.038 202.523 14.044 0.0000  0.0000  202.523 14.044 ?       ?      974.259 34.038 0.000000       34.03779 
1 1 1 7   11 8  o 547.701 18.255 63.660  4.2342 61.939  7.2119  64.565  5.2307 538.119 31.788 551.270 22.405 -13.15167      38.89027 
1 1 1 7   11 9  o 999.543 19.752 212.129 8.3611 220.208 14.396  208.016 10.271 1015.82 33.465 989.078 24.521 26.74036       41.48699 
1 1 1 7   11 10 o 607.924 18.674 78.460  4.8078 77.635  8.2588  78.883  5.9129 602.272 32.501 609.158 22.921 -6.886414      39.76992 
1 1 1 7   11 11 o 338.715 19.597 24.450  2.7991 22.398  4.7109  25.571  3.4800 321.752 35.144 345.882 23.905 -24.13004      42.50357 
1 1 1 7   11 12 o 487.099 18.930 50.400  3.9050 45.727  6.6189  52.895  4.8363 461.095 34.139 498.643 22.902 -37.54828      41.10938 
1 1 1 7   11 13 o 526.849 18.934 58.973  4.2246 62.794  7.3067  57.055  5.1777 541.028 32.033 517.722 23.616 23.30676       39.79718 
1 1 1 7   11 14 o 879.675 24.190 164.792 9.0117 158.299 12.669  171.443 12.821 859.557 34.803 894.816 33.834 -35.25940      48.53880 
1 1 1 7   11 15 o 1666.68 29.378 593.616 20.736 0.0000  0.0000  593.616 20.736 ?       ?      1666.68 29.378 0.000000       29.37776 
1 1 1 7   11 16 o 299.940 21.066 19.251  2.6589 19.485  4.5105  19.126  3.2916 298.723 36.407 298.082 26.346 0.6414185      44.93996 
1 1 1 7   11 17 o 403.961 19.775 34.766  3.3829 32.729  5.7503  35.845  4.1835 387.825 35.402 408.846 24.271 -21.02100      42.92295 
1 1 1 7   11 18 o 454.333 19.583 44.019  3.7679 37.704  6.3301  47.484  4.6891 415.451 36.344 471.145 23.501 -55.69400      43.28079 
1 1 1 7   11 19 o 214.523 29.663 10.100  2.6228 0.0000  0.0000  10.100  2.6228 ?       ?      214.523 29.663 0.000000       29.66346 
1 1 1 7   11 20 o 258.808 21.289 14.432  2.3126 11.071  3.8762  16.290  2.8817 220.369 43.078 274.189 25.096 -53.82033      49.85523 
1 1 1 7   11 21 o 266.832 38.968 16.044  4.2736 16.044  4.2736  0.0000  0.0000 266.832 38.968 ?       ?      0.000000       38.96795 
1 1 1 7   11 22 o 122.046 35.385 3.3640  1.9353 0.0000  0.0000  3.3640  1.9353 ?       ?      122.046 35.385 0.000000       35.38464 
1 1 1 7   11 23 o 353.530 20.429 26.977  3.0455 29.103  5.3675  25.967  3.6985 360.496 35.624 345.009 25.494 15.48697       43.80669 
1 1 1 7   11 24 o 469.974 20.033 47.610  3.9872 40.048  6.7174  51.723  4.9543 420.007 38.183 487.998 23.973 -67.99088      45.08520 
1 1 1 7   11 25 o 121.749 30.367 3.3939  1.5605 5.9962  2.7698  2.1837  1.8888 159.363 40.850 102.613 35.591 56.74991       54.18009 
1 1 1 7   12 0  o 942.105 21.979 189.065 8.7689 190.272 12.104  187.732 12.721 942.568 30.323 935.618 32.106 6.950867       44.16195 
1 1 1 7   12 1  o 447.169 20.497 42.543  3.8816 42.295  5.3590  42.816  5.6299 443.963 28.656 446.429 29.952 -2.466309      41.45276 
1 1 1 7   12 2  o 581.187 20.859 71.843  5.1340 69.606  7.0711  74.337  7.4663 570.083 29.389 589.038 30.031 -18.95551      42.01832 
1 1 1 7   12 3  o 146.389 27.906 4.7200  1.6668 4.1258  2.2151  5.4957  2.5309 136.534 37.267 156.968 38.391 -20.43413      53.50424 
1 1 1 7   12 4  o 1560.65 27.131 518.817 17.932 514.502 25.086  523.324 25.641 1549.61 38.227 1562.58 38.748 -12.97742      54.43064 
1 1 1 7   12 5  o 618.596 30.341 81.575  7.9484 81.575  7.9484  0.0000  0.0000 618.596 30.341 ?       ?      0.000000       30.34105 
1 1 1 7   12 6  o 813.950 22.641 140.776 7.8043 143.105 10.886  138.314 11.195 819.339 31.372 805.250 32.828 14.08844       45.40788 
1 1 1 7   12 7  o 390.944 32.772 32.817  5.3758 0.0000  0.0000  32.817  5.3758 ?       ?      390.944 32.772 0.000000       32.77231 
1 1 1 7   12 8  o 489.006 18.166 50.747  3.7620 52.731  6.4640  49.731  4.6261 496.483 30.896 483.791 22.580 12.69226       38.26793 
1 1 1 7   12 9  o 733.019 18.753 114.062 5.8214 104.606 9.9181  119.032 7.1903 700.053 33.454 748.382 22.687 -48.32904      40.42157 
1 1 1 7   12 10 o 835.038 19.092 148.066 6.7516 147.576 11.542  148.321 8.3243 831.369 32.784 835.143 23.537 -3.774170      40.35757 
1 1 1 7   12 11 o 593.382 18.623 74.776  4.6799 70.217  7.9997  77.149  5.7703 572.248 33.152 602.300 22.623 -30.05182      40.13508 
1 1 1 7   12 12 o 851.947 19.353 154.214 6.9826 157.264 11.994  152.651 8.5879 857.535 33.028 846.850 23.946 10.68512       40.79501 
1 1 1 7   12 13 o 354.852 24.315 26.939  3.6319 36.081  5.1838  18.124  5.0901 409.937 30.070 286.971 43.224 122.9662       52.65496 
1 1 1 7   12 14 o 871.470 24.090 161.746 8.8907 169.142 12.551  154.297 12.596 888.824 33.344 848.432 35.057 40.39191       48.38150 
1 1 1 7   12 15 o 500.912 23.929 53.468  5.0760 0.0000  0.0000  53.468  5.0760 ?       ?      500.912 23.929 0.000000       23.92871 
1 1 1 7   12 16 o 547.090 19.327 63.697  4.4779 60.647  7.5952  65.322  5.5439 530.007 34.018 553.331 23.659 -23.32452      41.43638 
1 1 1 7   12 17 o 187.094 25.149 7.6190  1.9422 6.9279  3.2114  8.0175  2.4387 174.821 43.540 190.687 31.285 -15.86530      53.61423 
1 1 1 7   12 18 o 332.041 20.758 23.628  2.9043 22.435  4.8305  24.304  3.6347 319.567 36.339 335.705 25.763 -16.13727      44.54496 
1 1 1 7   12 19 o 670.703 24.066 96.442  6.8357 0.0000  0.0000  96.442  6.8357 ?       ?      670.703 24.066 0.000000       24.06616 
1 1 1 7   12 20 o 510.096 19.513 55.626  4.2151 54.995  7.1628  55.960  5.2134 501.340 33.937 510.343 24.122 -9.003174      41.63658 
1 1 1 7   12 21 o 270.245 37.262 16.394  4.1511 16.394  4.1511  0.0000  0.0000 270.245 37.262 ?       ?      0.000000       37.26192 
1 1 1 7   12 22 o 328.717 25.314 23.513  3.4968 0.0000  0.0000  23.513  3.4968 ?       ?      328.717 25.314 0.000000       25.31403 
1 1 1 7   12 23 o 180.948 27.006 7.2770  2.0061 7.1753  3.5518  7.3247  2.4310 173.449 47.127 179.542 33.195 -6.092209      57.64462 
1 1 1 7   12 24 o 365.502 20.941 28.941  3.2278 22.139  5.3309  32.879  4.0558 309.170 41.786 387.911 24.819 -78.74136      48.60120 
1 1 1 7   13 0  o 487.848 20.065 50.628  4.1453 48.602  5.6961  52.908  6.0442 476.073 28.381 496.681 28.860 -20.60767      40.47717 
1 1 1 7   13 1  o 277.966 21.136 16.532  2.4694 14.000  3.4240  19.276  3.5649 253.693 32.626 299.114 28.487 -45.42180      43.31217 
1 1 1 7   13 2  o 1102.80 23.249 258.850 10.858 263.655 15.060  253.650 15.669 1110.42 32.026 1088.48 33.991 21.94177       46.70223 
1 1 1 7   13 3  f 179.071 24.395 6.9488  1.8018 7.7087  2.4507  6.0547  2.6583 187.419 32.028 164.789 38.743 22.62943       50.26770 
1 1 1 7   13 4  f 596.615 21.185 75.634  5.3527 71.939  7.3900  79.712  7.7636 580.049 30.188 611.422 29.983 -31.37274      42.54781 
1 1 1 7   13 5  o 696.194 30.386 103.305 8.9588 103.305 8.9588  0.0000  0.0000 696.194 30.386 ?       ?      0.000000       30.38627 
1 1 1 7   13 6  f 955.070 33.341 194.607 13.485 0.0000  0.0000  194.607 13.485 ?       ?      955.070 33.341 0.000000       33.34066 
1 1 1 7   13 7  o 1126.95 24.398 270.005 11.644 280.160 16.294  259.407 16.646 1145.89 33.577 1102.09 35.665 43.79529       48.98367 
1 1 1 7   13 8  o 310.773 23.389 20.644  3.0556 18.726  4.1527  22.907  4.5123 294.295 33.943 326.016 33.143 -31.72095      47.44007 
1 1 1 7   13 9  o 453.482 18.333 43.654  3.5208 38.710  5.9911  46.262  4.3515 424.490 33.602 466.574 22.023 -42.08484      40.17558 
1 1 1 7   13 10 o 927.358 19.483 182.660 7.6517 178.070 13.070  185.054 9.4381 912.818 33.811 932.694 23.895 -19.87518      41.40174 
1 1 1 7   13 11 o 982.860 19.735 205.251 8.2144 191.781 14.002  212.321 10.143 946.615 34.927 998.830 23.980 -52.21509      42.36708 
1 1 1 7   13 12 o 856.107 19.397 155.742 7.0323 147.514 12.024  160.021 8.6698 830.097 34.203 867.049 23.611 -36.95148      41.56164 
1 1 1 7   13 13 o 312.818 24.832 20.975  3.2625 19.962  4.5345  22.061  4.6976 303.065 36.037 318.939 35.376 -15.87326      50.49873 
1 1 1 7   13 14 o 463.955 34.003 46.360  6.6343 0.0000  0.0000  46.360  6.6343 ?       ?      463.955 34.003 0.000000       34.00253 
1 1 1 7   13 15 o 527.619 19.348 59.205  4.3231 63.106  7.3461  57.137  5.3471 541.727 32.165 517.660 24.391 24.06696       40.36724 
1 1 1 7   13 16 o 579.186 19.224 71.408  4.7152 69.214  8.0739  72.544  5.8087 566.138 33.831 583.009 23.527 -16.87109      41.20693 
1 1 1 7   13 17 o 143.197 31.032 4.5790  1.8275 0.6307  3.0475  6.7962  2.2837 102.306 42.560 175.013 31.991 -72.70696      53.24256 
1 1 1 7   13 18 o 303.258 21.366 19.745  2.7264 17.575  4.5387  20.970  3.4102 281.392 39.148 311.542 26.088 -30.14999      47.04369 
1 1 1 7   13 19 o 339.319 20.806 24.705  2.9753 19.470  5.1654  27.304  3.6398 294.650 42.635 355.964 24.290 -61.31403      49.06892 
1 1 1 7   13 20 o 324.151 25.538 22.767  3.4774 24.219  4.8663  21.253  4.9708 331.087 35.249 308.523 38.910 22.56424       52.50218 
1 1 1 7   13 21 o 271.973 26.746 16.169  3.0407 19.958  4.3708  12.616  4.2329 299.258 35.158 233.465 44.436 65.79343       56.66274 
1 1 1 7   13 22 o 459.390 24.569 45.762  4.7626 0.0000  0.0000  45.762  4.7626 ?       ?      459.390 24.569 0.000000       24.56941 
1 1 1 7   13 23 o 337.043 21.070 24.591  2.9924 19.628  5.0232  27.322  3.7256 291.628 41.874 353.777 25.028 -62.14822      48.78405 
1 1 1 7   13 24 o 409.387 20.251 36.164  3.5110 39.977  5.9970  34.176  4.3307 422.300 33.816 394.793 26.049 27.50681       42.68627 
1 1 1 7   14 0  o 228.425 21.943 11.206  2.0965 10.476  2.8858  12.022  3.0510 218.996 32.066 235.023 31.442 -16.02660      44.90949 
1 1 1 7   14 1  o 226.142 22.763 10.992  2.1504 10.111  2.8982  12.071  3.2076 214.992 32.876 235.274 33.109 -20.28218      46.65873 
1 1 1 7   14 2  o 858.996 21.698 156.900 7.8932 161.184 10.911  152.195 11.432 869.067 29.646 843.946 31.988 25.12152       43.61318 
1 1 1 7   14 3  o 746.229 21.333 118.349 6.7416 107.419 9.2768  130.582 9.8141 709.504 30.875 782.508 29.615 -73.00342      42.78213 
1 1 1 7   14 4  o 1256.51 34.155 337.223 18.175 337.223 18.175  0.0000  0.0000 1256.51 34.155 ?       ?      0.000000       34.15501 
1 1 1 7   14 5  o 813.036 22.021 140.446 7.5822 134.683 10.491  146.750 10.971 794.826 31.166 829.660 31.226 -34.83325      44.11785 
1 1 1 7   14 6  o 716.817 31.772 109.548 9.6449 0.0000  0.0000  109.548 9.6449 ?       ?      716.817 31.772 0.000000       31.77211 
1 1 1 7   14 7  o 918.669 23.016 179.360 8.9543 170.460 12.471  188.830 12.865 893.873 32.944 940.944 32.285 -47.07135      46.12628 
1 1 1 7   14 8  o 478.221 22.114 48.598  4.4787 46.023  6.1851  51.435  6.4937 463.455 31.704 490.110 31.452 -26.65491      44.65871 
1 1 1 7   14 9  o 409.251 22.365 35.707  3.8615 34.605  5.3561  36.900  5.5721 401.468 31.763 414.602 31.983 -13.13434      45.07516 
1 1 1 7   14 10 o 788.013 22.998 132.074 7.6747 124.056 10.675  140.652 11.041 761.906 33.085 811.481 32.129 -49.57495      46.11823 
1 1 1 7   14 11 o 1054.85 20.052 236.478 8.9576 234.469 15.332  237.519 11.037 1046.59 34.593 1056.18 24.676 -9.592041      42.49207 
1 1 1 7   14 12 o 232.126 22.217 11.567  2.1573 13.940  3.6187  10.259  2.6870 252.836 34.712 217.167 30.019 35.66917       45.89204 
1 1 1 7   14 13 o 638.120 23.102 86.683  6.2430 85.493  8.7736  87.903  8.8854 631.163 32.938 640.034 32.893 -8.870178      46.54951 
1 1 1 7   14 14 o 545.440 34.130 64.019  7.8439 0.0000  0.0000  64.019  7.8439 ?       ?      545.440 34.130 0.000000       34.12973 
1 1 1 7   14 15 o 481.115 19.086 49.236  3.8887 53.983  6.6274  46.743  4.8023 500.904 31.401 467.497 24.340 33.40689       39.73030 
1 1 1 7   14 16 o 391.630 19.980 32.757  3.3028 35.815  5.6229  31.146  4.0810 406.662 32.933 380.830 25.450 25.83249       41.62072 
1 1 1 7   14 17 o 255.068 21.984 13.997  2.3515 10.037  3.8673  16.319  2.9618 210.225 44.809 274.808 25.750 -64.58209      51.68105 
1 1 1 7   14 18 o 288.350 26.063 17.992  3.1483 24.288  4.4194  11.506  4.4859 333.833 31.638 223.733 48.726 110.1007       58.09602 
1 1 1 7   14 19 o 324.040 20.816 22.547  2.8415 23.383  4.8466  22.109  3.5075 325.752 35.718 319.587 26.145 6.164093       44.26427 
1 1 1 7   14 20 o 395.531 24.424 33.805  4.0712 36.841  5.7057  30.656  5.8107 409.590 33.179 371.571 37.437 38.01889       50.02377 
1 1 1 7   14 21 o 458.602 35.361 46.643  6.8146 0.0000  0.0000  46.643  6.8146 ?       ?      458.602 35.361 0.000000       35.36090 
1 1 1 7   14 22 o 300.777 25.728 19.751  3.2456 21.652  4.6892  18.003  4.4969 310.562 36.341 281.791 38.705 28.77112       53.09174 
1 1 1 7   14 23 o 416.939 20.023 37.452  3.5355 39.256  6.1875  36.578  4.3079 418.149 35.271 409.406 24.966 8.742920       43.21279 
1 1 1 7   14 24 f 389.833 20.819 32.924  3.4245 35.310  5.9150  31.721  4.2000 395.315 35.718 380.099 26.253 15.21600       44.32808 
1 1 1 7   15 0  o 381.150 19.858 30.963  3.1943 33.466  4.4052  28.188  4.6387 395.329 26.465 361.953 30.548 33.37616       40.41736 
1 1 1 7   15 1  o 470.933 20.086 47.133  4.0060 47.720  5.5057  46.473  5.8397 472.291 27.647 465.679 29.767 6.611816       40.62570 
1 1 1 7   15 2  o 316.888 21.372 21.440  2.8513 24.142  3.9135  18.384  4.1628 335.444 27.799 291.241 34.416 44.20285       44.24104 
1 1 1 7   15 3  o 474.841 20.589 47.900  4.1403 51.485  5.7635  44.078  5.9515 490.846 27.841 453.492 31.179 37.35468       41.80028 
1 1 1 7   15 4  o 792.591 29.918 133.882 10.042 133.882 10.042  0.0000  0.0000 792.591 29.918 ?       ?      0.000000       29.91788 
1 1 1 7   15 5  o 1008.70 33.195 217.105 14.180 0.0000  0.0000  217.105 14.180 ?       ?      1008.70 33.195 0.000000       33.19501 
1 1 1 7   15 6  o 534.079 21.306 60.590  4.8190 61.137  6.6513  59.985  6.9916 534.917 29.475 529.532 31.317 5.384460       43.00616 
1 1 1 7   15 7  o 362.853 21.874 28.075  3.3455 24.305  4.5712  32.423  4.9093 335.991 32.534 388.916 30.040 -52.92480      44.28163 
1 1 1 7   15 8  o 1661.92 28.170 588.339 19.826 579.995 27.749  597.040 28.337 1645.20 39.828 1669.07 40.091 -23.86975      56.51097 
1 1 1 7   15 9  o 729.832 22.569 113.255 6.9755 109.007 9.6850  117.833 10.055 714.524 32.006 742.898 31.961 -28.37366      45.23172 
1 1 1 7   15 10 o 644.890 22.378 88.452  6.1114 84.157  8.4683  93.119  8.8287 626.802 32.009 660.245 31.575 -33.44275      44.96193 
1 1 1 7   15 11 o 336.179 23.253 24.166  3.2902 24.121  4.5469  24.216  4.7671 334.310 32.528 334.663 34.113 -0.3531494     47.13538 
1 1 1 7   15 12 o 187.053 28.831 7.6401  2.2105 5.4469  3.0434  10.089  3.2159 156.693 44.036 213.930 36.826 -57.23682      57.40442 
1 1 1 7   15 13 o 870.991 23.808 161.572 8.7819 167.376 12.312  155.559 12.530 884.178 32.880 851.851 34.734 32.32709       47.82790 
1 1 1 7   15 14 o 399.969 23.940 34.211  4.0364 0.0000  0.0000  34.211  4.0364 ?       ?      399.969 23.940 0.000000       23.94014 
1 1 1 7   15 15 o 616.765 18.978 80.933  4.9569 83.172  8.5313  79.792  6.0904 621.562 32.524 611.623 23.513 9.939392       40.13305 
1 1 1 7   15 16 o 405.840 19.708 35.095  3.3872 27.273  5.7370  39.280  4.1968 352.567 39.081 428.228 23.229 -75.66132      45.46353 
1 1 1 7   15 17 o 331.678 20.564 23.569  2.8742 25.372  4.8354  22.584  3.5741 340.865 33.949 323.435 26.322 17.43039       42.95800 
1 1 1 7   15 18 o 175.035 32.947 6.8418  2.3526 5.8222  3.3081  7.8852  3.3464 160.169 46.212 185.743 43.335 -25.57423      63.35177 
1 1 1 7   15 19 o 679.663 19.474 98.717  5.6053 109.120 9.6778  93.466  6.8760 708.955 32.234 659.536 24.618 49.41864       40.55958 
1 1 1 7   15 20 f 334.212 35.224 24.766  4.9103 24.766  4.9103  0.0000  0.0000 334.212 35.224 ?       ?      0.000000       35.22377 
1 1 1 7   15 21 o 316.533 26.405 21.865  3.5073 0.0000  0.0000  21.865  3.5073 ?       ?      316.533 26.405 0.000000       26.40506 
1 1 1 7   15 22 o 487.089 24.579 51.515  5.0538 50.326  7.0595  52.765  7.2380 475.217 35.331 486.626 35.364 -11.40884      49.98873 
1 1 1 7   15 23 o 260.704 21.757 14.795  2.3801 15.005  4.0906  14.687  2.9266 255.199 39.095 257.796 27.218 -2.597031      47.63672 
1 1 1 7   15 24 o 220.849 23.464 10.708  2.1609 9.2547  3.5288  11.580  2.7333 197.107 43.445 227.720 29.001 -30.61343      52.23553 
1 1 1 7   16 0  o 921.164 21.065 180.400 8.2176 176.596 11.392  184.526 11.865 909.629 29.574 929.685 30.136 -20.05585      42.22313 
1 1 1 7   16 1  o 664.756 20.146 93.894  5.6715 92.904  7.8163  94.995  8.2422 660.190 27.957 667.384 29.163 -7.193787      40.39841 
1 1 1 7   16 2  o 407.179 20.336 35.222  3.5066 34.131  4.7827  36.491  5.1567 399.198 28.477 412.634 29.708 -13.43579      41.15258 
1 1 1 7   16 3  o 254.471 31.483 14.019  3.3204 14.019  3.3204  0.0000  0.0000 254.471 31.483 ?       ?      0.000000       31.48289 
1 1 1 7   16 4  o 610.250 20.875 79.102  5.3949 79.015  7.4706  79.196  7.7992 609.036 28.965 609.576 30.212 -0.5394287     41.85348 
1 1 1 7   16 5  o 447.498 30.295 42.869  5.7074 0.0000  0.0000  42.869  5.7074 ?       ?      447.498 30.295 0.000000       30.29507 
1 1 1 7   16 6  f 567.209 21.202 68.343  5.0928 61.728  6.9754  75.896  7.4530 537.242 30.787 596.835 29.487 -59.59338      42.63031 
1 1 1 7   16 7  o 881.370 22.500 165.109 8.3982 153.311 11.579  178.206 12.199 847.612 32.257 914.001 31.517 -66.38898      45.09754 
1 1 1 7   16 8  f 1117.82 23.999 265.789 11.361 258.416 15.765  273.755 16.386 1099.74 33.850 1131.81 34.187 -32.06714      48.10986 
1 1 1 7   16 9  o 755.608 22.401 121.413 7.1681 120.021 9.9682  122.905 10.315 749.718 31.396 758.527 32.112 -8.808350      44.90979 
1 1 1 7   16 10 o 431.524 22.414 39.717  4.0820 43.231  5.6903  35.992  5.8589 448.994 30.101 408.713 34.163 40.28116       45.53184 
1 1 1 7   16 11 o 1099.62 24.487 257.542 11.403 258.337 15.914  256.703 16.349 1098.27 34.215 1094.40 35.275 3.868286       49.14222 
1 1 1 7   16 12 o 293.843 35.051 18.764  4.2756 18.764  4.2756  0.0000  0.0000 293.843 35.051 ?       ?      0.000000       35.05091 
1 1 1 7   16 13 o 625.050 33.268 83.926  8.7744 0.0000  0.0000  83.926  8.7744 ?       ?      625.050 33.268 0.000000       33.26803 
1 1 1 7   16 14 o 173.732 25.723 6.5773  1.8354 10.028  3.0407  4.5996  2.3020 213.449 34.841 143.569 37.465 69.88040       51.16116 
1 1 1 7   16 15 o 707.370 19.242 106.511 5.7642 125.348 10.003  97.146  7.0530 764.213 30.909 674.412 24.695 89.80023       39.56213 
1 1 1 7   16 16 o 310.476 20.867 20.655  2.7277 20.254  4.6081  20.871  3.3843 303.777 36.554 311.119 25.922 -7.342010      44.81238 
1 1 1 7   16 17 o 291.770 21.119 18.279  2.5918 14.999  4.3710  20.058  3.2188 258.905 41.249 304.853 25.157 -45.94815      48.31530 
1 1 1 7   16 18 o 291.219 37.322 18.786  4.4970 0.0000  0.0000  18.786  4.4970 ?       ?      291.219 37.322 0.000000       37.32213 
1 1 1 7   16 19 o 481.171 19.386 49.499  3.9504 44.282  6.7590  52.205  4.8685 448.643 35.874 493.097 23.314 -44.45413      42.78450 
1 1 1 7   16 20 o 313.895 36.031 21.967  4.7028 21.967  4.7028  0.0000  0.0000 313.895 36.031 ?       ?      0.000000       36.03059 
1 1 1 7   16 21 o 420.621 24.938 38.414  4.4224 0.0000  0.0000  38.414  4.4224 ?       ?      420.621 24.938 0.000000       24.93796 
1 1 1 7   16 22 o 153.257 35.274 5.4122  2.2419 3.2753  2.9984  8.1217  3.3763 125.677 44.741 185.501 43.698 -59.82369      62.54070 
1 1 1 7   16 23 o 314.922 21.081 21.527  2.7953 20.963  4.6735  21.841  3.4879 303.157 37.182 315.071 26.383 -11.91403      45.59161 
1 1 1 7   16 24 o 268.221 21.877 15.682  2.4633 13.853  4.0370  16.768  3.1092 243.761 40.530 275.398 27.007 -31.63782      48.70324 
1 1 1 7   17 0  o 294.465 20.374 18.512  2.5251 19.297  3.4106  17.560  3.7564 299.738 27.164 285.056 31.651 14.68130       41.70962 
1 1 1 7   17 1  o 346.587 19.680 25.596  2.8766 22.928  3.9271  28.687  4.2256 326.745 28.670 365.946 27.467 -39.20084      39.70397 
1 1 1 7   17 2  o 727.565 28.322 112.774 8.7266 112.774 8.7266  0.0000  0.0000 727.565 28.322 ?       ?      0.000000       28.32246 
1 1 1 7   17 3  o 674.923 28.514 97.031  8.1499 97.031  8.1499  0.0000  0.0000 674.923 28.514 ?       ?      0.000000       28.51374 
1 1 1 7   17 4  o 858.248 31.730 157.092 11.532 0.0000  0.0000  157.092 11.532 ?       ?      858.248 31.730 0.000000       31.72952 
1 1 1 7   17 5  o 604.969 20.948 77.742  5.3669 76.148  7.4036  79.508  7.7911 597.834 29.243 610.769 30.121 -12.93518      41.98146 
1 1 1 7   17 6  o 769.630 21.708 125.863 7.0753 116.382 9.7400  136.455 10.295 738.715 31.134 800.023 30.387 -61.30841      43.50521 
1 1 1 7   17 7  o 815.328 22.085 141.295 7.6255 134.984 10.507  148.319 11.085 795.413 31.192 833.739 31.394 -38.32593      44.25471 
1 1 1 7   17 8  o 584.809 21.449 72.695  5.3120 68.500  7.3003  77.415  7.7438 565.765 30.583 601.567 30.496 -35.80292      43.18970 
1 1 1 7   17 9  o 640.302 21.801 87.184  5.9117 93.047  8.1878  80.800  8.5444 660.351 29.279 613.869 32.988 46.48151       44.10709 
1 1 1 7   17 10 o 256.936 24.236 14.180  2.6060 15.192  3.5414  12.985  3.8485 264.638 32.268 243.017 38.692 21.62099       50.38122 
1 1 1 7   17 11 o 1338.02 25.955 381.682 14.707 384.675 20.529  378.526 21.081 1338.96 36.203 1327.58 37.496 11.37781       52.12108 
1 1 1 7   17 12 o 348.125 32.899 26.174  4.7927 26.174  4.7927  0.0000  0.0000 348.125 32.899 ?       ?      0.000000       32.89854 
1 1 1 7   17 13 o 395.111 34.249 33.726  5.6741 0.0000  0.0000  33.726  5.6741 ?       ?      395.111 34.249 0.000000       34.24932 
1 1 1 7   17 14 o 608.771 22.924 78.997  5.9100 77.561  8.1511  80.589  8.5816 600.461 32.172 611.776 33.248 -11.31470      46.26481 
1 1 1 7   17 15 o 176.884 26.993 6.8473  1.9580 0.8605  3.2428  10.282  2.4562 107.192 44.187 217.480 27.268 -110.2871      51.92351 
1 1 1 7   17 16 o 365.935 24.988 28.806  3.8492 24.393  5.3410  33.575  5.5523 332.870 38.605 392.794 33.705 -59.92416      51.24799 
1 1 1 7   17 17 o 169.136 27.568 6.3049  1.9066 1.5401  3.0928  9.2258  2.4215 110.708 44.037 205.097 28.662 -94.38884      52.54263 
1 1 1 7   17 18 o 190.172 43.645 8.2926  3.4405 0.0000  0.0000  8.2926  3.4405 ?       ?      190.172 43.645 0.000000       43.64473 
1 1 1 7   17 19 o 485.993 23.366 50.760  4.8091 48.798  6.6703  52.884  6.9399 471.733 33.609 491.192 33.563 -19.45932      47.49792 
1 1 1 7   17 20 o 504.072 23.823 54.825  5.0854 56.805  7.0982  52.737  7.2893 507.693 33.197 487.717 35.536 19.97610       48.63007 
1 1 1 7   17 21 o 565.195 23.999 69.069  5.7443 0.0000  0.0000  69.069  5.7443 ?       ?      565.195 23.999 0.000000       23.99908 
1 1 1 7   17 22 o 302.116 26.230 20.026  3.3227 18.503  4.5606  21.749  4.8507 284.528 38.866 309.374 37.810 -24.84601      54.22307 
1 1 1 7   17 23 o 225.846 23.745 11.205  2.2370 11.569  3.6782  10.992  2.8182 222.348 40.556 220.943 30.970 1.405548       51.02911 
1 1 1 7   17 24 o 296.205 21.283 19.080  2.6520 18.029  4.4984  19.641  3.2832 279.459 39.079 298.539 26.235 -19.08069      47.06860 
1 1 1 7   18 0  o 361.935 19.551 27.904  2.9857 26.824  4.1102  29.111  4.3442 353.769 27.655 368.569 28.042 -14.79993      39.38488 
1 1 1 7   18 1  o 767.755 28.219 125.580 9.1752 125.580 9.1752  0.0000  0.0000 767.755 28.219 ?       ?      0.000000       28.21943 
1 1 1 7   18 2  o 496.999 27.759 52.766  5.8192 52.766  5.8192  0.0000  0.0000 496.999 27.759 ?       ?      0.000000       27.75886 
1 1 1 7   18 3  o 274.269 32.933 16.279  3.7487 0.0000  0.0000  16.279  3.7487 ?       ?      274.269 32.933 0.000000       32.93304 
1 1 1 7   18 4  o 849.697 31.318 153.979 11.269 0.0000  0.0000  153.979 11.269 ?       ?      849.697 31.318 0.000000       31.31799 
1 1 1 7   18 5  o 277.304 22.217 16.446  2.5871 15.947  3.6376  16.958  3.6803 271.507 32.269 280.224 31.561 -8.717316      45.13753 
1 1 1 7   18 6  o 1033.40 22.960 227.055 10.048 225.998 13.920  228.204 14.520 1029.02 31.942 1033.71 33.168 -4.692261      46.04815 
1 1 1 7   18 7  o 525.994 21.087 58.798  4.6971 51.438  6.4411  67.156  6.8644 489.948 31.206 560.493 29.019 -70.54446      42.61337 
1 1 1 7   18 8  o 472.767 21.405 47.518  4.2856 48.308  5.8819  46.625  6.2568 474.947 29.388 466.099 31.890 8.848236       43.36588 
1 1 1 7   18 9  o 466.549 21.835 46.298  4.3141 38.988  5.8745  54.856  6.3561 425.707 32.839 506.005 29.793 -80.29764      44.33961 
1 1 1 7   18 10 o 242.304 25.105 12.642  2.5388 11.888  3.4359  13.548  3.7678 232.818 36.010 248.674 36.897 -15.85641      51.55685 
1 1 1 7   18 11 o 647.756 30.713 89.724  8.4251 89.724  8.4251  0.0000  0.0000 647.756 30.713 ?       ?      0.000000       30.71269 
1 1 1 7   18 12 o 801.066 22.894 136.647 7.7666 119.594 10.712  155.548 11.277 746.927 33.864 852.611 31.233 -105.6846      46.06800 
1 1 1 7   18 13 o 264.117 36.780 15.278  4.0023 0.0000  0.0000  15.278  4.0023 ?       ?      264.117 36.780 0.000000       36.78041 
1 1 1 7   18 14 o 718.199 23.254 110.033 7.0726 114.084 9.8677  105.754 10.142 728.908 31.967 701.102 34.160 27.80554       46.78434 
1 1 1 7   18 15 o 764.688 23.273 124.928 7.5368 113.806 10.438  137.043 10.894 726.228 33.939 797.652 32.250 -71.42456      46.81802 
1 1 1 7   18 16 o 398.114 24.107 34.059  4.0452 28.581  5.6608  39.776  5.7826 360.678 37.614 428.007 32.137 -67.32825      49.47343 
1 1 1 7   18 17 o 199.089 24.751 8.6310  2.0418 11.300  3.7221  7.4823  2.4420 223.812 40.773 183.272 32.660 40.53966       52.24080 
1 1 1 7   18 18 o 205.915 43.151 9.7022  3.6425 0.0000  0.0000  9.7022  3.6425 ?       ?      205.915 43.151 0.000000       43.15076 
1 1 1 7   18 19 f 596.727 23.322 76.611  5.8938 71.202  8.3045  82.100  8.3659 568.945 34.632 612.494 32.368 -43.54913      47.40263 
1 1 1 7   18 20 o 445.618 35.187 44.115  6.5863 0.0000  0.0000  44.115  6.5863 ?       ?      445.618 35.187 0.000000       35.18724 
1 1 1 7   18 21 o 279.046 21.419 16.869  2.5118 11.241  4.3209  19.742  3.0871 217.373 48.201 301.014 24.427 -83.64143      54.03751 
1 1 1 7   18 22 o 592.899 24.139 76.386  6.0610 68.687  8.3689  84.879  8.7897 552.737 35.948 616.708 33.783 -63.97064      49.33136 
1 1 1 7   18 23 o 268.035 21.866 15.668  2.4603 22.308  4.2158  12.239  3.0298 315.293 32.018 232.957 31.521 82.33524       44.92974 
1 1 1 7   19 0  o 763.296 20.009 123.753 6.4680 122.110 8.9803  125.523 9.3237 757.082 28.009 767.477 28.687 -10.39459      40.09292 
1 1 1 7   19 1  o 310.797 28.371 20.747  3.6930 20.747  3.6930  0.0000  0.0000 310.797 28.371 ?       ?      0.000000       28.37076 
1 1 1 7   19 2  o 552.630 28.816 65.242  6.7205 0.0000  0.0000  65.242  6.7205 ?       ?      552.630 28.816 0.000000       28.81598 
1 1 1 7   19 3  o 801.650 30.361 137.016 10.307 0.0000  0.0000  137.016 10.307 ?       ?      801.650 30.361 0.000000       30.36086 
1 1 1 7   19 4  o 273.986 22.324 16.060  2.5678 12.406  3.4965  20.338  3.7832 238.342 35.743 307.538 29.407 -69.19589      46.28526 
1 1 1 7   19 5  o 917.095 21.980 178.767 8.5366 180.894 11.812  176.441 12.351 920.973 30.285 909.170 32.079 11.80341       44.11672 
1 1 1 7   19 6  o 603.174 21.026 77.316  5.3708 79.493  7.4771  74.995  7.7198 610.625 28.914 592.026 30.898 18.59857       42.31687 
1 1 1 7   19 7  o 456.600 21.364 44.321  4.1310 42.672  5.7254  46.112  5.9662 446.095 30.489 463.792 30.547 -17.69690      43.15910 
1 1 1 7   19 8  o 534.284 21.304 60.701  4.8203 54.895  6.6237  67.237  7.0282 505.964 31.063 560.429 29.719 -54.46484      42.98981 
1 1 1 7   19 9  o 691.443 21.781 101.711 6.3779 99.307  8.7887  104.385 9.2700 681.702 30.443 698.726 31.328 -17.02386      43.68303 
1 1 1 7   19 10 o 372.856 22.222 29.693  3.4930 27.355  4.7863  32.356  5.1092 356.122 32.081 387.681 31.389 -31.55911      44.88272 
1 1 1 7   19 11 o 1230.13 34.762 324.583 18.109 324.583 18.109  0.0000  0.0000 1230.13 34.762 ?       ?      0.000000       34.76227 
1 1 1 7   19 12 o 519.661 32.320 58.068  7.0775 0.0000  0.0000  58.068  7.0775 ?       ?      519.661 32.320 0.000000       32.32012 
1 1 1 7   19 13 o 307.206 23.744 20.242  3.0650 23.393  4.2225  16.733  4.4561 329.074 30.652 275.870 39.249 53.20453       49.80005 
1 1 1 7   19 14 o 228.033 27.716 11.295  2.6215 12.144  3.7549  10.487  3.6616 233.825 39.315 216.398 41.465 17.42679       57.14028 
1 1 1 7   19 15 o 660.366 23.024 93.214  6.4388 94.274  8.9609  92.083  9.2581 661.220 32.001 652.068 33.641 9.152466       46.43020 
1 1 1 7   19 16 o 155.258 35.138 5.4330  2.2565 4.3700  3.2060  6.4764  3.1764 142.282 46.358 168.465 44.032 -26.18367      63.93631 
1 1 1 7   19 17 o 233.889 28.123 11.954  2.7298 8.7615  3.7844  15.417  3.9413 194.928 46.495 263.623 36.263 -68.69514      58.96452 
1 1 1 7   19 18 f 115.401 36.597 2.8888  2.0076 0.0000  0.0000  2.8888  2.0076 ?       ?      115.401 36.597 0.000000       36.59713 
1 1 1 7   19 19 o 412.172 34.158 37.534  5.9086 37.534  5.9086  0.0000  0.0000 412.172 34.158 ?       ?      0.000000       34.15832 
1 1 1 7   19 20 o 278.514 26.623 16.991  3.1019 0.0000  0.0000  16.991  3.1019 ?       ?      278.514 26.623 0.000000       26.62333 
1 1 1 7   19 21 o 226.799 23.765 11.250  2.2486 11.377  4.0453  11.194  2.7051 219.768 44.980 224.460 29.145 -4.692383      53.59704 
1 1 1 7   19 22 o 268.484 27.774 15.969  3.1123 16.697  4.3923  15.234  4.4106 268.680 39.806 255.079 42.313 13.60112       58.09404 
1 1 1 7   19 23 o 246.241 22.770 13.279  2.3476 15.360  3.8506  12.047  2.9616 258.946 36.095 231.208 31.030 27.73831       47.59963 
1 1 1 7   20 0  o 730.514 27.513 113.661 8.5117 113.661 8.5117  0.0000  0.0000 730.514 27.513 ?       ?      0.000000       27.51339 
1 1 1 7   20 1  o 739.409 20.135 116.125 6.3050 109.250 8.7465  123.561 9.0971 716.030 28.844 761.589 28.206 -45.55939      40.34319 
1 1 1 7   20 2  o 556.524 28.479 66.159  6.6895 0.0000  0.0000  66.159  6.6895 ?       ?      556.524 28.479 0.000000       28.47903 
1 1 1 7   20 3  o 515.661 19.876 56.476  4.3404 56.195  5.9482  56.797  6.3479 512.939 27.483 515.404 29.203 -2.465332      40.10131 
1 1 1 7   20 4  o 320.161 21.246 21.877  2.8643 24.894  3.9545  18.548  4.1543 340.745 27.642 292.678 34.159 48.06668       43.94255 
1 1 1 7   20 5  o 883.929 21.689 166.086 8.1189 172.208 11.238  159.402 11.742 898.590 29.531 863.975 32.093 34.61438       43.61277 
1 1 1 7   20 6  o 315.491 22.443 21.274  2.9790 21.763  4.0761  20.713  4.3644 317.854 30.662 309.435 33.858 8.419037       45.67805 
1 1 1 7   20 7  o 525.566 21.001 58.727  4.6742 60.110  6.4981  57.245  6.7287 529.952 29.065 516.770 30.888 13.18140       42.41228 
1 1 1 7   20 8  o 354.329 22.392 26.821  3.3427 21.665  4.6464  32.352  4.8127 316.043 35.319 388.124 29.501 -72.08157      46.01935 
1 1 1 7   20 9  o 517.950 21.746 57.085  4.7700 63.578  6.6585  50.239  6.8366 544.834 28.962 483.135 33.624 61.69904       44.37758 
1 1 1 7   20 10 o 887.491 31.504 168.573 11.841 168.573 11.841  0.0000  0.0000 887.491 31.504 ?       ?      0.000000       31.50444 
1 1 1 7   20 11 o 466.763 21.913 46.379  4.3315 45.014  5.9462  47.922  6.3224 457.646 30.861 472.046 31.812 -14.40012      44.32161 
1 1 1 7   20 12 o 268.633 37.605 15.821  4.1608 0.0000  0.0000  15.821  4.1608 ?       ?      268.633 37.605 0.000000       37.60458 
1 1 1 7   20 13 o 458.277 22.548 44.780  4.3761 38.821  5.9056  52.036  6.5169 423.761 33.173 491.442 31.478 -67.68155      45.73090 
1 1 1 7   20 14 o 404.282 23.065 35.020  3.9326 28.906  5.4444  41.689  5.6865 364.050 35.776 439.306 30.760 -75.25558      47.18119 
1 1 1 7   20 15 o 501.523 22.846 53.793  4.8522 56.145  6.7971  51.349  6.9288 509.120 31.682 486.020 33.875 23.09930       46.38228 
1 1 1 7   20 16 o 220.038 28.237 10.592  2.5705 9.5079  3.6840  11.621  3.5884 204.034 43.934 227.732 38.585 -23.69820      58.47245 
1 1 1 7   20 17 o 203.583 31.543 9.1820  2.6315 5.3770  3.7815  12.755  3.6643 155.721 50.318 238.827 37.462 -83.10580      62.73203 
1 1 1 7   20 18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   20 19 o 94.468  39.325 0.6400  2.6043 0.6400  2.6043  0.0000  0.0000 94.468  39.325 ?       ?      0.000000       39.32525 
1 1 1 7   20 20 o 99.326  36.486 1.8267  2.0135 0.0000  0.0000  1.8267  2.0135 ?       ?      99.326  36.486 0.000000       36.48575 
1 1 1 7   20 21 o 217.181 24.112 10.350  2.1802 13.651  3.7803  8.7051  2.6688 244.261 37.764 195.805 33.382 48.45503       50.40291 
1 1 1 7   20 22 o 150.528 30.022 5.1689  1.8467 5.6291  3.2085  4.9410  2.2583 153.348 45.857 145.260 36.697 8.088043       58.73284 
1 1 1 7   20 23 o 199.321 24.485 8.7886  2.0234 5.4351  3.2800  10.849  2.5708 150.685 46.632 220.316 28.200 -69.63126      54.49626 
1 1 1 7   21 0  o 862.793 29.237 158.686 10.683 0.0000  0.0000  158.686 10.683 ?       ?      862.793 29.237 0.000000       29.23714 
1 1 1 7   21 1  o 1459.05 35.310 455.208 21.818 0.0000  0.0000  455.208 21.818 ?       ?      1459.05 35.310 0.000000       35.30954 
1 1 1 7   21 2  o 671.050 19.959 95.652  5.6720 95.004  7.8807  96.349  8.1699 667.774 27.867 672.359 28.693 -4.584534      39.99798 
1 1 1 7   21 3  o 292.763 21.055 18.308  2.5930 15.672  3.5698  21.252  3.7727 269.090 31.950 314.479 28.642 -45.38843      42.90916 
1 1 1 7   21 4  o 262.332 22.271 14.737  2.4508 16.035  3.4320  13.386  3.5009 272.502 30.250 247.940 34.257 24.56244       45.70118 
1 1 1 7   21 5  o 886.410 21.469 167.047 8.0592 172.826 11.136  160.691 11.678 900.068 29.215 867.298 31.795 32.76959       43.17942 
1 1 1 7   21 6  o 420.716 21.164 37.729  3.7587 39.966  5.1377  35.154  5.5132 431.944 28.242 404.212 32.481 27.73099       43.04258 
1 1 1 7   21 7  o 645.524 21.005 88.620  5.7423 83.171  7.8720  94.816  8.3950 623.997 29.789 666.256 29.753 -42.25903      42.10274 
1 1 1 7   21 8  o 233.629 24.332 11.752  2.3720 9.9740  3.4330  13.377  3.2813 212.014 39.695 248.045 31.982 -36.03163      50.97555 
1 1 1 7   21 9  o 636.446 21.662 86.208  5.8384 91.202  8.1081  80.831  8.4140 653.243 29.309 613.499 32.501 39.74353       43.76441 
1 1 1 7   21 10 o 453.843 31.119 44.285  5.9448 44.285  5.9448  0.0000  0.0000 453.843 31.119 ?       ?      0.000000       31.11851 
1 1 1 7   21 11 o 766.517 32.462 125.932 10.538 0.0000  0.0000  125.932 10.538 ?       ?      766.517 32.462 0.000000       32.46212 
1 1 1 7   21 12 o 619.574 22.104 81.789  5.7997 78.698  7.9492  85.307  8.4805 605.147 31.124 629.876 31.896 -24.72864      44.56541 
1 1 1 7   21 13 f 568.048 22.390 68.840  5.3861 71.308  7.4413  66.124  7.8059 575.488 30.643 553.225 33.476 22.26288       45.38318 
1 1 1 7   21 14 o 562.937 22.546 67.710  5.3748 68.071  7.4307  67.314  7.7839 561.244 31.389 557.471 33.120 3.773499       45.63106 
1 1 1 7   21 15 o 342.323 24.297 25.237  3.4995 30.615  4.8338  19.314  5.0730 375.434 30.671 294.112 41.915 81.32278       51.93809 
1 1 1 7   21 16 o 346.374 24.365 25.876  3.5512 30.293  5.0755  21.639  4.9705 372.384 32.511 312.286 38.393 60.09808       50.30839 
1 1 1 7   21 17 o 282.034 26.180 17.278  3.0913 15.532  4.3383  19.079  4.4060 262.779 40.267 293.268 36.247 -30.48904      54.17869 
1 1 1 7   21 18 o 202.846 42.269 9.4851  3.5133 9.4851  3.5133  0.0000  0.0000 202.846 42.269 ?       ?      0.000000       42.26902 
1 1 1 7   21 19 o 161.337 45.197 6.1071  3.2113 0.0000  0.0000  6.1071  3.2113 ?       ?      161.337 45.197 0.000000       45.19653 
1 1 1 7   21 20 o 129.337 29.525 3.8011  1.5816 -1.9614 3.0871  5.8519  1.8417 82.973  38.177 161.680 27.906 -78.70747      47.28869 
1 1 1 7   21 21 o 353.462 20.560 27.050  3.0642 33.738  5.3000  23.692  3.7555 388.747 32.491 327.956 27.288 60.79126       42.43019 
1 1 1 7   21 22 o 185.932 33.608 7.9424  2.5489 6.6101  3.7391  9.0990  3.4839 164.425 49.579 194.879 43.335 -30.45432      65.84807 
1 1 1 7   21 23 o 203.623 24.871 9.1827  2.1001 6.4503  3.4155  10.844  2.6630 162.827 46.949 219.739 29.350 -56.91280      55.36829 
1 1 1 7   22 0  o 548.638 27.595 64.290  6.3911 0.0000  0.0000  64.290  6.3911 ?       ?      548.638 27.595 0.000000       27.59538 
1 1 1 7   22 1  o 1303.61 23.375 361.462 12.905 377.590 18.060  344.636 18.446 1329.75 32.070 1269.63 34.307 60.12195       46.96214 
1 1 1 7   22 2  o 346.156 20.181 25.545  2.9456 23.488  4.0235  27.921  4.3240 330.639 29.029 360.787 28.533 -30.14810      40.70403 
1 1 1 7   22 3  o 308.034 20.564 20.254  2.6671 16.941  3.6265  24.156  3.9361 280.005 31.109 335.492 27.959 -55.48688      41.82660 
1 1 1 7   22 4  o 355.504 20.599 26.952  3.0879 27.734  4.2520  26.079  4.4917 359.557 28.149 348.144 30.783 11.41345       41.71272 
1 1 1 7   22 5  o 288.379 22.405 17.798  2.7147 14.664  3.7105  21.407  3.9823 259.488 34.630 315.198 30.204 -55.71057      45.95092 
1 1 1 7   22 6  o 612.984 20.689 79.902  5.3707 82.355  7.3486  77.089  7.8686 621.242 27.932 599.719 31.088 21.52307       41.79329 
1 1 1 7   22 7  o 896.734 21.986 171.133 8.3495 171.035 11.493  171.242 12.150 894.444 30.342 894.485 32.074 -0.4083252E-01 44.15210 
1 1 1 7   22 8  o 1004.84 22.758 215.013 9.6844 211.045 13.323  219.457 14.102 992.906 31.685 1012.07 32.901 -19.16510      45.67764 
1 1 1 7   22 9  o 484.700 29.775 50.428  6.0822 50.428  6.0822  0.0000  0.0000 484.700 29.775 ?       ?      0.000000       29.77481 
1 1 1 7   22 10 o 438.791 22.088 41.101  4.0914 46.526  5.7587  35.571  5.8140 465.536 29.360 405.758 34.152 59.77820       45.03767 
1 1 1 7   22 11 o 685.192 32.299 100.687 9.3724 0.0000  0.0000  100.687 9.3724 ?       ?      685.192 32.299 0.000000       32.29949 
1 1 1 7   22 12 o 312.508 23.468 20.953  3.0831 19.944  4.1996  22.132  4.5407 302.830 33.297 318.983 34.144 -16.15323      47.69121 
1 1 1 7   22 13 o 283.819 24.356 17.347  2.8991 12.495  3.8787  23.490  4.3642 236.770 40.115 328.888 31.727 -92.11873      51.14489 
1 1 1 7   22 14 o 868.606 23.246 161.430 8.5510 164.143 11.811  158.442 12.396 871.845 31.990 855.371 34.219 16.47394       46.84358 
1 1 1 7   22 15 o 472.096 22.939 47.743  4.5862 43.848  6.3036  52.123  6.6849 448.388 33.437 489.473 32.433 -41.08481      46.58235 
1 1 1 7   22 16 o 151.730 33.057 5.1890  2.0641 3.0972  2.9820  7.1129  2.8599 125.405 44.622 176.739 39.233 -51.33335      59.41692 
1 1 1 7   22 17 o 467.135 32.178 47.731  6.3269 47.731  6.3269  0.0000  0.0000 467.135 32.178 ?       ?      0.000000       32.17818 
1 1 1 7   22 18 o 491.944 32.295 53.229  6.6907 53.229  6.6907  0.0000  0.0000 491.944 32.295 ?       ?      0.000000       32.29477 
1 1 1 7   22 19 o 580.911 34.105 74.865  8.3533 0.0000  0.0000  74.865  8.3533 ?       ?      580.911 34.105 0.000000       34.10457 
1 1 1 7   22 20 o 204.852 28.239 9.3328  2.3847 7.0496  3.4095  11.520  3.3367 171.978 45.942 224.798 36.285 -52.82045      58.54260 
1 1 1 7   22 21 o 386.497 20.074 32.334  3.2744 38.038  5.5637  29.311  4.0501 412.539 32.098 365.057 26.375 47.48117       41.54447 
1 1 1 7   22 22 o 82.601  36.349 -0.3440 2.4639 -0.3440 2.4639  0.0000  0.0000 82.601  36.349 ?       ?      0.000000       36.34912 
1 1 1 7   23 0  o 847.500 20.035 152.613 7.1906 154.635 10.037  150.482 10.307 851.730 27.826 839.983 28.974 11.74713       40.17179 
1 1 1 7   23 1  o 553.963 19.297 65.191  4.5271 57.784  6.2558  73.335  6.5596 519.778 28.529 586.717 26.400 -66.93915      38.86966 
1 1 1 7   23 2  o 702.875 19.811 104.976 5.8969 108.481 8.1693  101.164 8.5209 713.436 27.039 688.580 29.220 24.85583       39.81110 
1 1 1 7   23 3  o 419.202 20.079 37.348  3.5645 42.592  4.9756  31.820  5.1091 446.286 26.444 384.613 31.648 61.67300       41.24191 
1 1 1 7   23 4  o 707.577 20.388 106.438 6.1094 100.122 8.4515  113.350 8.8415 684.840 29.141 728.776 28.648 -43.93628      40.86415 
1 1 1 7   23 5  o 188.587 26.055 7.7229  2.0253 9.3826  2.7862  5.8632  2.9493 206.904 32.899 161.995 42.470 44.90842       53.72230 
1 1 1 7   23 6  o 579.094 20.662 71.330  5.0671 73.411  6.9838  69.016  7.3633 586.358 28.124 567.263 30.766 19.09552       41.68373 
1 1 1 7   23 7  o 250.355 24.400 13.483  2.5540 13.772  3.4787  13.145  3.7618 251.343 33.517 244.577 37.517 6.766235       50.30815 
1 1 1 7   23 8  o 281.921 31.413 17.223  3.6866 17.223  3.6866  0.0000  0.0000 281.921 31.413 ?       ?      0.000000       31.41285 
1 1 1 7   23 9  o 259.271 33.047 14.638  3.5460 14.638  3.5460  0.0000  0.0000 259.271 33.047 ?       ?      0.000000       33.04652 
1 1 1 7   23 10 o 285.147 35.556 17.738  4.2003 0.0000  0.0000  17.738  4.2003 ?       ?      285.147 35.556 0.000000       35.55558 
1 1 1 7   23 11 o 164.953 34.131 6.0596  2.3056 5.1575  3.1965  7.0380  3.3289 152.939 45.779 176.627 44.519 -23.68788      63.85633 
1 1 1 7   23 12 o 473.131 22.423 47.769  4.4928 55.511  6.2413  39.442  6.4725 507.885 29.140 425.836 36.235 82.04874       46.49852 
1 1 1 7   23 13 o 184.551 31.081 7.5286  2.3429 9.8316  3.3202  5.2448  3.3064 209.516 38.851 153.600 46.691 55.91516       60.74093 
1 1 1 7   23 14 o 272.217 25.734 16.045  2.9314 18.490  4.1298  13.561  4.1618 290.073 34.281 245.647 41.483 44.42650       53.81506 
1 1 1 7   23 15 o 76.248  31.739 0.3192  1.6963 -1.6343 2.4284  2.1809  2.3706 74.196  34.036 108.858 39.649 -34.66249      52.25408 
1 1 1 7   23 16 o 104.762 35.708 2.2396  1.8984 1.6857  2.5608  2.9154  2.8285 105.065 40.575 121.856 43.448 -16.79083      59.44795 
1 1 1 7   23 17 o 158.402 43.950 5.7975  3.0520 5.7975  3.0520  0.0000  0.0000 158.402 43.950 ?       ?      0.000000       43.95008 
1 1 1 7   23 18 o 482.259 23.045 50.195  4.7065 47.849  6.5083  52.766  6.8144 465.083 33.264 488.575 33.130 -23.49170      46.94755 
1 1 1 7   23 19 o 146.910 42.725 5.0288  2.8177 0.0000  0.0000  5.0288  2.8177 ?       ?      146.910 42.725 0.000000       42.72543 
1 1 1 7   23 20 o 258.294 26.486 14.703  2.8562 15.583  3.9905  13.779  4.0898 261.309 37.103 243.494 41.126 17.81493       55.38948 
1 1 1 7   23 21 o 231.759 28.486 12.004  2.7370 11.142  3.6875  13.062  4.0842 217.002 41.640 234.819 42.642 -17.81638      59.60018 
1 1 1 7   23 22 o 395.139 20.090 33.868  3.3508 34.423  5.7745  33.586  4.1143 388.828 35.458 390.966 24.980 -2.138336      43.37333 
1 1 1 7   24 0  o 442.284 18.747 41.554  3.5113 38.915  4.8507  44.460  5.0893 426.434 26.999 456.007 26.468 -29.57242      37.80892 
1 1 1 7   24 1  o 667.643 19.317 94.715  5.4618 87.582  7.5497  102.547 7.9112 640.816 27.820 693.560 26.935 -52.74390      38.72258 
1 1 1 7   24 2  o 361.640 19.871 27.881  3.0316 22.740  4.1859  33.552  4.3964 324.814 30.799 395.882 26.374 -71.06747      40.54847 
1 1 1 7   24 3  o 544.256 19.726 62.965  4.5465 59.334  6.3120  66.881  6.5544 526.488 28.415 559.883 27.643 -33.39447      39.64293 
1 1 1 7   24 4  o 571.677 20.079 69.491  4.8611 70.662  6.7427  68.222  7.0147 575.401 27.671 564.338 29.453 11.06262       40.41228 
1 1 1 7   24 5  o 421.122 20.611 37.724  3.6757 35.112  5.0849  40.583  5.3196 404.186 29.920 434.867 29.053 -30.68011      41.70413 
1 1 1 7   24 6  o 640.591 20.743 87.311  5.6273 80.094  7.7373  95.415  8.1992 611.971 29.855 668.137 28.978 -56.16534      41.60551 
1 1 1 7   24 7  o 519.025 21.045 57.335  4.6258 64.072  6.3665  49.802  6.7326 546.990 27.573 480.781 33.271 66.20920       43.21133 
1 1 1 7   24 8  o 247.021 34.834 13.353  3.5428 13.353  3.5428  0.0000  0.0000 247.021 34.834 ?       ?      0.000000       34.83361 
1 1 1 7   24 9  o 233.796 39.203 12.092  3.7441 0.0000  0.0000  12.092  3.7441 ?       ?      233.796 39.203 0.000000       39.20280 
1 1 1 7   24 10 o 746.071 32.222 119.451 10.181 0.0000  0.0000  119.451 10.181 ?       ?      746.071 32.222 0.000000       32.22155 
1 1 1 7   24 11 o 482.105 22.123 49.570  4.5169 46.206  6.1226  53.587  6.6908 462.760 31.428 498.378 31.868 -35.61877      44.75807 
1 1 1 7   24 12 o 659.388 21.903 92.827  6.1162 78.693  8.2664  109.923 9.0914 603.333 32.473 714.967 30.026 -111.6340      44.22738 
1 1 1 7   24 13 o 311.660 23.482 20.908  3.0765 18.902  4.1201  23.436  4.6252 293.655 33.744 327.323 33.855 -33.66843      47.79994 
1 1 1 7   24 14 o 529.135 22.385 59.961  5.0162 64.156  6.9527  55.408  7.2442 543.996 30.300 503.831 34.154 40.16574       45.65707 
1 1 1 7   24 15 o 470.893 22.552 47.553  4.4972 52.764  6.2418  41.928  6.4852 492.761 30.055 436.874 35.356 55.88678       46.40424 
1 1 1 7   24 16 o 465.880 22.835 46.626  4.5052 40.237  6.1702  53.921  6.5935 427.701 34.356 496.892 31.496 -69.19043      46.60825 
1 1 1 7   24 17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   24 18 o 235.804 41.563 12.860  3.9988 0.0000  0.0000  12.860  3.9988 ?       ?      235.804 41.563 0.000000       41.56281 
1 1 1 7   24 19 o 68.609  29.573 -0.0616 1.5612 1.2288  2.3515  -1.0787 2.0877 96.147  38.350 70.617  32.073 25.53007       49.99392 
1 1 1 7   24 20 o 187.828 31.079 7.9931  2.3857 6.6423  3.1921  9.7022  3.5907 166.364 44.458 201.955 43.285 -35.59067      62.04922 
1 1 1 7   24 21 o 303.046 25.456 20.257  3.2366 22.789  4.4201  17.329  4.7525 317.144 33.413 270.505 42.920 46.63937       54.39242 
1 1 1 7   24 22 o 143.417 34.978 4.8204  2.1054 6.0296  2.9545  3.5728  3.0010 158.024 43.001 127.230 44.818 30.79372       62.11065 
1 1 1 7   25 0  o 181.735 25.106 7.1677  1.8807 4.7514  2.6994  9.4468  2.6216 146.634 41.565 208.089 30.669 -61.45518      51.65466 
1 1 1 7   25 1  o 161.538 25.130 5.6901  1.6633 6.6414  2.3780  4.7790  2.3272 173.241 33.626 146.427 37.396 26.81325       50.29119 
1 1 1 7   25 2  f 440.563 19.660 41.264  3.6680 40.824  5.0697  41.747  5.3137 436.520 27.566 441.251 28.589 -4.730835      39.71450 
1 1 1 7   25 3  o 417.847 19.827 37.126  3.5084 30.144  4.8367  44.879  5.0968 374.177 30.797 457.924 26.394 -83.74640      40.55954 
1 1 1 7   25 4  o 609.747 19.895 79.071  5.1374 81.112  7.1117  76.844  7.4295 616.385 27.244 599.573 29.260 16.81165       39.97998 
1 1 1 7   25 5  o 859.774 21.192 157.332 7.7163 153.832 10.735  161.072 11.099 848.008 29.893 867.640 30.206 -19.63263      42.49689 
1 1 1 7   25 6  o 458.447 20.850 44.733  4.0480 44.853  5.5895  44.600  5.8703 457.072 29.027 455.427 30.615 1.644989       42.18821 
1 1 1 7   25 7  o 647.654 28.823 89.713  7.9054 89.713  7.9054  0.0000  0.0000 647.654 28.823 ?       ?      0.000000       28.82282 
1 1 1 7   25 8  o 492.577 21.270 51.663  4.4370 56.111  6.0917  46.638  6.4756 511.504 28.231 465.047 33.097 46.45700       43.50168 
1 1 1 7   25 9  o 343.029 32.131 25.460  4.6133 0.0000  0.0000  25.460  4.6133 ?       ?      343.029 32.131 0.000000       32.13124 
1 1 1 7   25 10 o 354.059 22.883 26.851  3.4127 23.328  4.6301  31.041  5.0497 327.595 33.863 378.891 31.764 -51.29517      46.42884 
1 1 1 7   25 11 o 158.716 33.323 5.6274  2.1685 5.3126  2.9265  6.0107  3.2291 153.831 43.164 163.220 45.180 -9.389053      62.48471 
1 1 1 7   25 12 o 992.552 23.241 210.760 9.7691 209.998 13.429  211.617 14.237 986.153 32.156 988.815 34.000 -2.662842      46.79692 
1 1 1 7   25 13 o 190.006 30.812 7.9896  2.3944 7.0326  3.2432  9.1361  3.5498 175.261 43.815 200.133 43.153 -24.87183      61.49703 
1 1 1 7   25 14 o 153.851 33.041 5.3318  2.0885 4.4270  2.8439  6.3912  3.0771 140.941 43.389 166.873 43.203 -25.93190      61.23056 
1 1 1 7   25 15 o 774.760 22.801 128.869 7.4811 133.576 10.265  123.537 10.925 784.290 30.906 752.073 34.303 32.21667       46.17251 
1 1 1 7   25 16 o 165.941 43.995 6.3916  3.1419 6.3916  3.1419  0.0000  0.0000 165.941 43.995 ?       ?      0.000000       43.99525 
1 1 1 7   25 17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   25 18 o 158.311 44.984 5.9196  3.1578 0.0000  0.0000  5.9196  3.1578 ?       ?      158.311 44.984 0.000000       44.98402 
1 1 1 7   25 19 o 192.903 30.344 8.3731  2.3970 2.7624  3.2850  14.762  3.5056 121.871 46.229 256.075 33.100 -134.2039      56.85687 
1 1 1 7   25 20 o 248.253 27.726 13.716  2.8651 17.037  3.9554  10.050  4.1557 273.322 34.974 202.038 49.060 71.28403       60.25006 
1 1 1 7   25 21 f 337.930 25.143 25.165  3.5725 30.485  4.9328  19.297  5.1810 367.808 31.987 284.131 44.520 83.67654       54.81940 
1 1 1 7   26 0  o 578.905 19.074 71.239  4.6761 76.535  6.5714  65.808  6.6554 599.052 25.903 554.371 28.444 44.68097       38.47140 
1 1 1 7   26 1  o 627.361 19.040 83.670  5.0586 81.663  6.9781  85.893  7.3440 618.622 26.636 634.312 27.339 -15.69080      38.16919 
1 1 1 7   26 2  o 852.682 20.368 154.671 7.3550 159.994 10.267  149.059 10.541 865.443 28.013 834.860 29.815 30.58313       40.91103 
1 1 1 7   26 3  o 218.613 23.410 10.298  2.1336 11.040  2.9210  9.4482  3.1241 224.945 31.529 206.608 37.067 18.33679       48.66237 
1 1 1 7   26 4  o 574.200 19.904 70.141  4.8401 72.418  6.7207  67.687  6.9762 582.259 27.256 561.770 29.426 20.48840       40.10942 
1 1 1 7   26 5  o 230.036 23.867 11.401  2.2912 11.132  3.0764  11.737  3.4334 225.462 33.216 230.935 36.304 -5.473709      49.20642 
1 1 1 7   26 6  o 305.082 31.701 20.161  4.0359 20.161  4.0359  0.0000  0.0000 305.082 31.701 ?       ?      0.000000       31.70092 
1 1 1 7   26 7  o 544.558 20.707 63.131  4.7752 57.740  6.5419  69.279  6.9864 518.442 29.923 568.245 29.130 -49.80310      41.76072 
1 1 1 7   26 8  o 472.405 30.638 48.027  6.0963 0.0000  0.0000  48.027  6.0963 ?       ?      472.405 30.638 0.000000       30.63793 
1 1 1 7   26 9  o 486.603 21.398 50.460  4.4095 50.270  6.0270  50.679  6.4684 483.410 29.583 484.823 31.678 -1.413818      43.34342 
1 1 1 7   26 10 o 273.112 24.369 16.066  2.7889 18.040  3.9506  14.105  3.9376 287.610 33.035 252.604 37.984 35.00612       50.33995 
1 1 1 7   26 11 o 431.297 22.236 39.850  4.0476 39.905  5.5242  39.786  5.9475 429.400 30.578 427.972 33.072 1.428406       45.04170 
1 1 1 7   26 12 o 424.157 22.449 38.605  4.0181 38.771  5.5702  38.425  5.8018 422.442 31.360 420.014 32.880 2.427917       45.43700 
1 1 1 7   26 13 o 77.619  32.120 0.3949  1.7227 -0.4997 2.3301  1.4735  2.5585 80.602  35.411 102.910 40.329 -22.30795      53.66947 
1 1 1 7   26 14 o 547.670 22.139 64.327  5.1347 62.493  7.0324  66.423  7.5149 535.657 31.135 551.717 32.304 -16.05920      44.86599 
1 1 1 7   26 15 o 168.449 32.824 6.3897  2.2574 8.8644  3.0697  3.4751  3.3313 197.536 38.075 131.739 47.132 65.79669       60.59002 
1 1 1 7   26 16 o 226.679 37.774 11.661  3.4986 11.661  3.4986  0.0000  0.0000 226.679 37.774 ?       ?      0.000000       37.77425 
1 1 1 7   26 17 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   26 18 o 202.406 28.109 9.1209  2.3444 8.5503  3.2077  9.7752  3.4348 191.063 40.879 204.517 41.084 -13.45383      57.95692 
1 1 1 7   26 19 f 55.321  26.123 -1.7199 1.6039 -3.3339 2.3722  -0.3607 2.1769 62.734  30.205 77.727  34.186 -14.99266      45.61806 
1 1 1 7   26 20 o 192.167 30.259 8.3824  2.3811 8.2084  3.2879  8.5743  3.4528 184.496 42.894 188.059 44.116 -3.562744      61.53175 
1 1 1 7   26 21 o 288.802 25.526 18.453  3.0898 15.229  4.1789  22.340  4.5891 254.347 40.126 312.160 35.337 -57.81310      53.46776 
1 1 1 7   27 0  o 328.043 17.709 22.936  2.4511 25.069  3.9951  21.648  3.1040 341.436 27.872 317.913 23.216 23.52255       36.27475 
1 1 1 7   27 1  o 535.952 19.291 61.090  4.3785 63.800  6.1626  58.327  6.2221 546.631 26.621 521.641 28.272 24.99011       38.83262 
1 1 1 7   27 2  o 385.636 20.191 31.729  3.2860 28.555  4.5562  35.171  4.7439 364.105 29.809 404.741 27.846 -40.63522      40.79205 
1 1 1 7   27 3  o 210.218 23.508 9.5358  2.0570 9.2412  2.7379  9.9175  3.1166 205.144 32.606 211.931 36.014 -6.786926      48.58190 
1 1 1 7   27 4  o 184.149 26.402 7.3868  2.0001 7.6091  2.7741  7.1462  2.8864 184.888 36.724 178.629 39.229 6.258713       53.73615 
1 1 1 7   27 5  f 499.417 27.771 53.493  5.8503 53.493  5.8503  0.0000  0.0000 499.417 27.771 ?       ?      0.000000       27.77086 
1 1 1 7   27 6  o 459.790 28.756 45.413  5.5711 45.413  5.5711  0.0000  0.0000 459.790 28.756 ?       ?      0.000000       28.75592 
1 1 1 7   27 7  o 353.368 31.473 26.991  4.6605 0.0000  0.0000  26.991  4.6605 ?       ?      353.368 31.473 0.000000       31.47262 
1 1 1 7   27 8  o 366.371 21.811 28.712  3.3688 27.784  4.6704  29.719  4.8640 358.508 31.069 370.826 31.264 -12.31842      44.07645 
1 1 1 7   27 9  o 336.137 23.141 24.237  3.2741 20.543  4.6239  27.952  4.6366 306.302 36.356 359.407 30.759 -53.10547      47.62220 
1 1 1 7   27 10 o 376.085 22.228 30.318  3.5245 30.304  4.9405  30.333  5.0296 373.724 31.510 373.738 32.089 -0.1397705E-01 44.97295 
1 1 1 7   27 11 o 291.159 23.786 18.277  2.9073 14.112  4.0133  22.875  4.2172 251.588 38.925 324.052 31.113 -72.46429      49.83119 
1 1 1 7   27 12 o 545.387 22.080 63.698  5.0998 63.131  7.0422  64.323  7.3951 539.209 30.970 543.723 32.260 -4.513916      44.71952 
1 1 1 7   27 13 o 429.833 22.776 39.751  4.1311 44.077  5.7831  35.243  5.9032 449.906 30.533 400.240 35.185 49.66562       46.58601 
1 1 1 7   27 14 o 209.808 27.783 9.6761  2.4079 5.4162  3.2299  15.005  3.6126 154.006 45.999 260.189 33.569 -106.1832      56.94569 
1 1 1 7   27 15 o 223.274 35.983 11.227  3.2867 11.227  3.2867  0.0000  0.0000 223.274 35.983 ?       ?      0.000000       35.98316 
1 1 1 7   27 16 o 158.991 32.115 5.7402  2.0879 8.0226  2.8150  2.9494  3.1128 187.076 36.843 123.233 45.350 63.84265       58.42982 
1 1 1 7   27 17 o 452.283 33.816 45.638  6.4301 0.0000  0.0000  45.638  6.4301 ?       ?      452.283 33.816 0.000000       33.81580 
1 1 1 7   27 18 o 480.190 22.710 49.972  4.6182 43.897  6.1424  57.871  7.0043 443.440 32.944 509.685 32.621 -66.24533      46.36223 
1 1 1 7   27 19 o 310.611 24.062 21.166  3.1405 15.768  4.2231  27.845  4.6973 260.134 39.583 352.129 31.844 -91.99445      50.80208 
1 1 1 7   27 20 o 194.851 29.713 8.6129  2.3743 10.284  3.4421  7.0964  3.2793 207.869 40.557 170.205 44.861 37.66360       60.47647 
1 1 1 7   27 21 o 85.786  33.452 1.1431  1.7536 0.6397  2.6353  1.5432  2.3494 93.086  39.208 98.325  38.611 -5.239136      55.02783 
1 1 1 7   28 0  o 310.449 17.751 20.554  2.3241 21.461  3.6821  19.954  2.9964 315.643 27.831 305.062 23.372 10.58170       36.34241 
1 1 1 7   28 1  o 343.886 20.435 25.260  2.9626 25.406  4.2157  25.118  4.1644 343.326 29.275 341.397 29.081 1.928711       41.26368 
1 1 1 7   28 2  o 464.650 18.997 45.928  3.7382 47.788  5.2258  43.978  5.3497 472.272 26.232 452.609 28.048 19.66330       38.40323 
1 1 1 7   28 3  o 206.852 23.655 9.2424  2.0349 8.3134  2.8606  10.194  2.8953 193.496 36.241 215.576 32.744 -22.08011      48.84229 
1 1 1 7   28 4  o 321.384 29.335 22.296  3.9486 22.296  3.9486  0.0000  0.0000 321.384 29.335 ?       ?      0.000000       29.33506 
1 1 1 7   28 5  o 242.867 33.907 12.913  3.3923 12.913  3.3923  0.0000  0.0000 242.867 33.907 ?       ?      0.000000       33.90685 
1 1 1 7   28 6  o 273.538 33.805 16.322  3.8326 0.0000  0.0000  16.322  3.8326 ?       ?      273.538 33.805 0.000000       33.80477 
1 1 1 7   28 7  o 285.928 22.325 17.539  2.6818 16.496  3.6518  18.759  3.9513 275.350 31.908 293.770 32.294 -18.42017      45.39842 
1 1 1 7   28 8  f 530.170 21.031 59.931  4.7219 62.848  6.7213  57.088  6.6351 540.353 29.483 514.603 30.584 25.74933       42.48115 
1 1 1 7   28 9  o 90.137  34.899 1.1509  1.8981 1.3147  2.7321  0.9981  2.6390 104.118 41.397 99.655  40.318 4.463097       57.78660 
1 1 1 7   28 10 o 249.233 25.699 13.464  2.6735 12.730  3.8849  14.125  3.6849 238.465 39.877 252.830 35.385 -14.36536      53.31311 
1 1 1 7   28 11 o 373.426 22.800 29.986  3.5883 26.588  5.0853  33.355  5.0640 347.906 34.989 391.538 30.789 -43.63129      46.60721 
1 1 1 7   28 12 o 383.693 22.540 31.681  3.6464 29.518  4.9859  34.168  5.3466 367.179 32.396 395.298 32.218 -28.11957      45.68962 
1 1 1 7   28 13 o 544.793 22.356 63.717  5.1578 67.342  7.1585  59.803  7.4381 556.035 30.517 522.234 33.814 33.80078       45.54826 
1 1 1 7   28 14 o 550.553 22.062 65.130  5.1437 62.176  6.9785  68.644  7.6112 533.317 31.032 559.765 32.244 -26.44781      44.75137 
1 1 1 7   28 15 o 342.622 31.713 25.930  4.5493 25.930  4.5493  0.0000  0.0000 342.622 31.713 ?       ?      0.000000       31.71289 
1 1 1 7   28 16 f 295.742 36.298 19.768  4.4507 0.0000  0.0000  19.768  4.4507 ?       ?      295.742 36.298 0.000000       36.29797 
1 1 1 7   28 17 o 221.231 43.612 11.550  3.9407 0.0000  0.0000  11.550  3.9407 ?       ?      221.231 43.612 0.000000       43.61212 
1 1 1 7   28 18 f 103.296 35.194 2.2687  1.8442 4.1115  2.5822  0.3502  2.6347 133.158 41.403 91.259  38.855 41.89960       56.77924 
1 1 1 7   28 19 o 340.815 33.109 26.328  4.7184 26.328  4.7184  0.0000  0.0000 340.815 33.109 ?       ?      0.000000       33.10946 
1 1 1 7   28 20 o 97.138  34.480 1.9392  1.7795 0.6228  2.4659  3.3697  2.5705 90.434  38.000 122.084 41.551 -31.65009      56.30725 
1 1 1 7   29 0  o 161.115 26.993 5.6962  1.7766 10.786  2.7874  2.2142  2.3056 222.342 30.399 109.419 39.204 112.9227       49.60888 
1 1 1 7   29 1  o 340.042 17.798 24.655  2.5541 30.307  4.1521  21.214  3.2396 375.689 26.263 314.319 24.532 61.37042       35.93788 
1 1 1 7   29 2  o 268.366 22.450 15.459  2.5281 17.808  3.6786  13.357  3.4801 286.579 30.794 246.983 34.189 39.59589       46.01226 
1 1 1 7   29 3  o 500.412 27.066 53.705  5.7145 53.705  5.7145  0.0000  0.0000 500.412 27.066 ?       ?      0.000000       27.06612 
1 1 1 7   29 4  o 298.543 21.483 19.089  2.6979 17.388  3.6841  21.056  3.9619 283.012 31.260 311.942 30.376 -28.93039      43.58816 
1 1 1 7   29 5  o 608.886 29.087 79.440  7.5002 0.0000  0.0000  79.440  7.5002 ?       ?      608.886 29.087 0.000000       29.08674 
1 1 1 7   29 6  o 326.555 31.038 23.098  4.2408 0.0000  0.0000  23.098  4.2408 ?       ?      326.555 31.038 0.000000       31.03831 
1 1 1 7   29 7  o 269.444 23.426 15.621  2.6465 11.407  3.6167  20.479  3.8828 226.339 39.149 307.340 30.223 -81.00082      49.45760 
1 1 1 7   29 8  o 210.310 27.098 9.6385  2.3573 10.532  3.3471  8.7595  3.3205 217.371 37.729 196.995 41.131 20.37596       55.81372 
1 1 1 7   29 9  o 493.029 21.019 51.930  4.3886 49.220  6.0558  54.928  6.3689 476.870 30.142 503.915 29.980 -27.04468      42.51237 
1 1 1 7   29 10 o 447.720 22.084 42.916  4.1872 43.965  5.9044  41.855  5.9388 449.706 31.196 438.350 32.217 11.35571       44.84570 
1 1 1 7   29 11 o 368.811 23.357 29.310  3.6292 34.242  5.1281  24.362  5.1369 396.308 30.797 331.584 37.225 64.72415       48.31270 
1 1 1 7   29 12 o 172.231 33.036 6.6695  2.3219 7.0184  3.3490  6.3464  3.2222 174.023 45.080 165.726 44.828 8.296936       63.57462 
1 1 1 7   29 13 o 273.883 26.069 16.342  2.9872 17.157  4.2416  15.540  4.2076 276.870 37.109 262.553 39.029 14.31635       53.85478 
1 1 1 7   29 14 o 444.973 31.637 43.527  5.9229 43.527  5.9229  0.0000  0.0000 444.973 31.637 ?       ?      0.000000       31.63702 
1 1 1 7   29 15 o 261.916 38.877 15.662  4.1813 0.0000  0.0000  15.662  4.1813 ?       ?      261.916 38.877 0.000000       38.87655 
1 1 1 7   29 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   29 17 o 278.311 25.016 17.011  2.9169 17.261  4.0154  16.731  4.2443 275.700 35.194 269.801 38.215 5.899139       51.95213 
1 1 1 7   29 18 o 88.428  32.949 1.4186  1.6527 -0.5844 2.4208  3.1671  2.2619 79.954  35.564 118.567 38.953 -38.61260      52.74598 
1 1 1 7   29 19 o 403.974 23.693 35.844  4.0356 33.147  5.4341  39.161  6.0262 381.275 34.012 414.032 34.689 -32.75693      48.58081 
1 1 1 7   29 20 o 324.776 24.422 23.279  3.3344 22.968  4.4874  23.661  4.9823 316.741 33.985 318.921 37.613 -2.180603      50.69262 
1 1 1 7   30 0  o 541.624 16.017 62.342  3.6738 56.866  5.8565  65.895  4.7174 514.911 26.951 556.279 20.025 -41.36798      33.57592 
1 1 1 7   30 1  o 183.400 33.563 7.4524  2.5107 9.5040  2.9357  1.8650  4.8447 207.458 34.636 134.365 54.534 73.09363       64.60361 
1 1 1 7   30 2  o 236.953 29.174 12.206  2.8657 14.801  3.5452  7.3141  4.8678 260.438 32.876 181.812 56.898 78.62634       65.71333 
1 1 1 7   30 3  o 481.337 19.898 49.337  4.0561 52.012  5.7968  46.770  5.6774 492.106 27.931 466.332 28.891 25.77383       40.18430 
1 1 1 7   30 4  o 354.521 30.287 27.160  4.5035 0.0000  0.0000  27.160  4.5035 ?       ?      354.521 30.287 0.000000       30.28676 
1 1 1 7   30 5  o 984.232 21.695 206.600 9.0428 190.722 12.431  224.447 13.179 942.078 31.157 1022.32 30.441 -80.24561      43.55947 
1 1 1 7   30 6  o 396.685 20.607 33.642  3.4500 35.970  4.7078  30.941  5.0703 408.762 27.354 377.806 31.990 30.95584       42.09056 
1 1 1 7   30 7  o 555.211 20.514 65.774  4.8235 67.625  6.7159  63.802  6.9320 560.328 28.395 543.606 30.231 16.72235       41.47518 
1 1 1 7   30 8  o 201.130 28.761 8.8769  2.3800 11.241  3.5270  6.9005  3.2250 224.136 38.548 173.845 43.819 50.29106       58.36119 
1 1 1 7   30 9  o 300.622 24.326 19.517  3.0704 14.314  4.3277  24.789  4.3569 251.975 42.038 337.187 30.854 -85.21255      52.14497 
1 1 1 7   30 10 o 291.072 23.993 18.318  2.9311 16.128  4.1934  20.411  4.0987 268.809 37.887 304.931 32.228 -36.12253      49.74020 
1 1 1 7   30 11 o 122.990 36.436 3.3788  2.0327 0.7096  3.0636  5.4779  2.7168 102.225 42.611 154.534 40.882 -52.30910      59.05154 
1 1 1 7   30 12 o 155.714 33.803 5.4994  2.1652 0.7352  3.1050  10.009  3.0208 102.809 42.880 211.092 35.019 -108.2826      55.36271 
1 1 1 7   30 13 o 340.232 32.928 25.587  4.6851 25.587  4.6851  0.0000  0.0000 340.232 32.928 ?       ?      0.000000       32.92843 
1 1 1 7   30 14 o 447.656 31.911 44.262  6.0099 44.262  6.0099  0.0000  0.0000 447.656 31.911 ?       ?      0.000000       31.91051 
1 1 1 7   30 15 o 443.843 33.802 44.014  6.3057 0.0000  0.0000  44.014  6.3057 ?       ?      443.843 33.802 0.000000       33.80177 
1 1 1 7   30 16 f 154.840 47.163 5.7193  3.3711 5.7193  3.3711  0.0000  0.0000 154.840 47.163 ?       ?      0.000000       47.16346 
1 1 1 7   30 17 o 141.085 35.854 4.6580  2.1467 2.2452  3.2505  6.5242  2.8587 115.664 45.417 165.460 41.006 -49.79649      61.18985 
1 1 1 7   30 18 o 237.140 25.496 12.491  2.5203 10.124  3.4473  15.209  3.6939 205.832 40.988 257.091 34.824 -51.25865      53.78423 
1 1 1 7   30 19 o 403.670 23.581 35.832  4.0137 36.572  5.4819  34.976  5.8928 401.244 32.541 389.302 36.156 11.94214       48.64356 
1 1 1 7   31 0  o 384.548 21.513 31.623  3.4894 35.955  4.4075  24.348  5.7116 409.327 25.554 332.532 41.459 76.79446       48.70160 
1 1 1 7   31 1  o 450.240 21.152 43.209  4.0331 47.379  5.0150  35.576  6.7856 470.138 25.281 403.205 40.278 66.93341       47.55474 
1 1 1 7   31 2  f 439.799 22.431 41.371  4.1638 0.0000  0.0000  41.371  4.1638 ?       ?      439.799 22.431 0.000000       22.43059 
1 1 1 7   31 3  o 468.546 29.870 47.309  5.8961 0.0000  0.0000  47.309  5.8961 ?       ?      468.546 29.870 0.000000       29.86999 
1 1 1 7   31 4  o 636.038 19.870 86.205  5.3522 76.262  7.3204  97.625  7.8452 596.109 28.998 674.924 27.448 -78.81445      39.92788 
1 1 1 7   31 5  o 584.204 20.842 72.809  5.1564 68.154  7.0918  78.030  7.5106 562.259 29.891 602.562 29.432 -40.30304      41.94932 
1 1 1 7   31 6  o 551.992 20.656 65.039  4.8286 60.681  6.5764  70.136  7.1125 530.231 29.403 570.101 29.561 -39.87024      41.69365 
1 1 1 7   31 7  o 313.163 22.891 21.102  3.0148 26.475  4.4295  16.465  4.1151 349.029 30.267 272.851 36.530 76.17792       47.43988 
1 1 1 7   31 8  o 265.888 24.890 15.312  2.7700 18.377  4.0823  12.697  3.7710 288.905 34.018 238.007 38.746 50.89828       51.56021 
1 1 1 7   31 9  o 171.186 31.592 6.5505  2.2059 4.0487  3.2409  8.7097  3.0109 137.997 46.658 196.314 37.585 -58.31697      59.91359 
1 1 1 7   31 10 o 202.133 30.435 9.0557  2.5245 13.014  3.7462  5.7631  3.4169 240.515 38.045 158.560 47.301 81.95482       60.70263 
1 1 1 7   31 11 o 197.432 28.043 8.6034  2.2788 6.6954  3.1543  10.686  3.2958 169.871 43.621 217.527 37.108 -47.65562      57.26958 
1 1 1 7   31 12 o 136.028 47.132 3.9248  3.3119 3.9248  3.3119  0.0000  0.0000 136.028 47.132 ?       ?      0.000000       47.13243 
1 1 1 7   31 13 o 219.827 38.356 11.042  3.4409 11.042  3.4409  0.0000  0.0000 219.827 38.356 ?       ?      0.000000       38.35606 
1 1 1 7   31 14 o 447.083 34.075 44.642  6.4031 0.0000  0.0000  44.642  6.4031 ?       ?      447.083 34.075 0.000000       34.07530 
1 1 1 7   31 15 o 258.339 26.397 14.733  2.8474 10.378  3.9020  19.694  4.1645 208.057 45.548 295.426 33.900 -87.36905      56.77906 
1 1 1 7   31 16 o 154.538 46.568 5.7345  3.2995 5.7345  3.2995  0.0000  0.0000 154.538 46.568 ?       ?      0.000000       46.56842 
1 1 1 7   31 17 o 311.497 25.430 21.428  3.3253 28.063  4.6543  14.509  4.7527 353.057 31.459 243.436 47.807 109.6213       57.22886 
1 1 1 7   31 18 o 207.486 30.282 9.8111  2.5824 8.9490  3.6569  10.669  3.6474 189.870 45.970 209.874 42.495 -20.00401      62.60273 
1 1 1 7   31 19 o 70.557  30.507 -0.0217 1.6717 -0.8912 2.4530  0.7323  2.2843 77.685  35.074 88.546  36.843 -10.86072      50.86830 
1 1 1 7   32 0  f 189.838 22.890 7.8025  1.8031 8.1857  2.8699  7.5526  2.3177 191.555 36.714 185.151 30.629 6.403610       47.81244 
1 1 1 7   32 1  f 261.675 26.667 14.811  2.9138 0.0000  0.0000  14.811  2.9138 ?       ?      261.675 26.667 0.000000       26.66655 
1 1 1 7   32 2  o 518.866 29.389 57.994  6.4312 0.0000  0.0000  57.994  6.4312 ?       ?      518.866 29.389 0.000000       29.38898 
1 1 1 7   32 3  o 495.772 17.530 52.320  3.6804 48.785  5.8081  54.692  4.7575 475.728 28.967 506.080 22.198 -30.35236      36.49448 
1 1 1 7   32 4  o 395.847 21.368 33.553  3.5688 34.871  4.8506  31.997  5.2694 401.804 28.695 383.651 32.746 18.15234       43.53961 
1 1 1 7   32 5  o 268.379 25.311 15.578  2.8428 13.578  3.8589  17.950  4.2039 247.052 38.110 285.563 35.530 -38.51028      52.10312 
1 1 1 7   32 6  f 328.380 22.906 23.203  3.1655 21.828  4.1484  25.119  4.8979 316.237 31.391 338.385 34.668 -22.14804      46.76794 
1 1 1 7   32 7  o 745.987 20.839 119.062 6.5836 124.567 9.1297  113.099 9.5027 759.702 28.377 722.534 31.056 37.16766       42.06814 
1 1 1 7   32 8  o 330.024 22.292 23.464  3.0973 24.753  4.4236  22.224  4.3381 336.239 31.431 318.031 32.674 18.20758       45.33730 
1 1 1 7   32 9  o 156.510 33.083 5.5359  2.1242 3.1492  3.2832  7.2541  2.7857 127.944 46.652 178.346 38.044 -50.40202      60.19737 
1 1 1 7   32 10 o 260.192 24.752 14.726  2.6945 12.385  3.8776  16.913  3.7471 233.105 40.764 276.448 32.636 -43.34291      52.21844 
1 1 1 7   32 11 o 200.791 28.919 8.9325  2.3881 10.127  3.5571  7.9523  3.2223 209.701 41.524 185.187 42.048 24.51357       59.09528 
1 1 1 7   32 12 o 258.376 37.767 15.119  4.0104 15.119  4.0104  0.0000  0.0000 258.376 37.767 ?       ?      0.000000       37.76685 
1 1 1 7   32 13 o 387.222 33.889 33.479  5.5014 0.0000  0.0000  33.479  5.5014 ?       ?      387.222 33.889 0.000000       33.88939 
1 1 1 7   32 14 o 105.285 42.088 1.5681  2.8385 0.0000  0.0000  1.5681  2.8385 ?       ?      105.285 42.088 0.000000       42.08772 
1 1 1 7   32 15 o 211.467 29.934 10.060  2.6059 6.9874  3.7348  12.974  3.6376 169.047 49.197 237.044 37.482 -67.99652      61.84881 
1 1 1 7   32 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   32 17 o 177.127 33.199 7.2881  2.3988 10.704  3.4660  4.1472  3.3233 211.780 40.115 134.152 47.172 77.62823       61.92274 
1 1 1 7   32 18 o 250.565 26.631 14.058  2.7825 10.693  3.9052  17.527  3.9656 207.595 45.662 275.107 34.818 -67.51149      57.42188 
1 1 1 7   33 0  f 453.279 22.604 43.893  4.3390 0.0000  0.0000  43.893  4.3390 ?       ?      453.279 22.604 0.000000       22.60369 
1 1 1 7   33 1  o 567.921 19.052 68.740  4.5822 60.925  6.1140  78.755  6.9213 532.207 27.218 605.922 26.973 -73.71497      38.31926 
1 1 1 7   33 2  o 306.093 20.300 20.078  2.6165 20.794  4.0502  19.565  3.4278 309.036 31.382 300.713 27.211 8.323090       41.53674 
1 1 1 7   33 3  o 305.369 20.341 19.994  2.6154 23.901  4.0916  17.294  3.4009 331.891 29.416 282.061 28.878 49.82904       41.22200 
1 1 1 7   33 4  o 340.000 19.653 24.760  2.8178 25.392  4.4758  24.344  3.6266 341.401 31.306 335.775 25.699 5.626282       40.50348 
1 1 1 7   33 5  o 225.159 28.590 11.101  2.6647 10.352  3.6100  11.997  3.9497 213.653 41.394 230.174 42.069 -16.52151      59.01922 
1 1 1 7   33 6  o 347.108 22.368 25.934  3.2705 26.904  4.5624  24.909  4.6905 350.981 31.014 336.829 33.320 14.15198       45.52023 
1 1 1 7   33 7  f 412.250 21.764 36.544  3.7863 39.273  5.1918  33.444  5.5337 424.931 29.024 390.102 33.831 34.82849       44.57515 
1 1 1 7   33 8  o 251.774 24.602 13.782  2.5896 15.957  3.8328  11.955  3.5126 267.909 34.590 230.415 37.270 37.49384       50.84813 
1 1 1 7   33 9  f 202.772 27.693 9.0655  2.3159 9.7100  3.4960  8.5615  3.0915 205.423 41.612 193.431 39.084 11.99127       57.08921 
1 1 1 7   33 10 o 209.912 27.909 9.7235  2.4195 13.553  3.6747  6.7924  3.2147 245.354 36.475 170.538 44.162 74.81554       57.27768 
1 1 1 7   33 11 o 677.651 29.836 100.357 8.5623 100.357 8.5623  0.0000  0.0000 677.651 29.836 ?       ?      0.000000       29.83596 
1 1 1 7   33 12 f 294.245 24.151 18.888  2.9829 20.738  4.3251  17.210  4.1194 304.109 34.175 275.836 36.133 28.27301       49.73516 
1 1 1 7   33 13 o 220.622 40.600 11.376  3.6536 0.0000  0.0000  11.376  3.6536 ?       ?      220.622 40.600 0.000000       40.60041 
1 1 1 7   33 14 f 243.940 26.416 13.180  2.6853 12.623  3.8470  13.709  3.7500 232.055 40.626 243.673 37.546 -11.61768      55.31909 
1 1 1 7   33 15 f 104.533 36.663 2.2858  2.0068 0.5377  2.8915  3.9105  2.7875 96.123  40.809 130.565 43.260 -34.44186      59.47114 
1 1 1 7   33 16 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 7   33 17 o 133.877 35.350 4.2618  2.0338 3.9743  2.9658  4.5171  2.7944 130.277 44.630 136.729 43.158 -6.451233      62.08446 
1 1 1 7   33 18 o 125.769 38.192 3.7610  2.2130 3.1947  3.1413  4.3191  3.1183 122.155 45.442 134.572 45.765 -12.41647      64.49385 
1 1 1 7   34 0  o 329.681 21.783 23.332  3.0241 22.902  3.8070  24.067  4.9783 325.200 27.914 331.032 36.097 -5.831665      45.63036 
1 1 1 7   34 1  o 470.555 17.377 47.180  3.4627 48.901  5.4311  46.001  4.4948 476.221 27.042 463.575 22.895 12.64603       35.43224 
1 1 1 7   34 2  o 602.362 16.604 77.292  4.2357 75.679  6.8130  78.308  5.4077 593.093 27.125 605.198 21.100 -12.10461      34.36533 
1 1 1 7   34 3  o 238.978 21.452 12.317  2.1479 13.677  3.4583  11.463  2.7405 248.821 33.685 228.753 28.937 20.06863       44.40769 
1 1 1 7   34 4  o 331.540 19.072 23.559  2.6665 18.081  4.3068  26.965  3.3957 285.499 36.453 353.890 22.779 -68.39059      42.98451 
1 1 1 7   34 5  o 275.013 24.420 16.389  2.8145 18.998  4.0128  13.862  3.9484 293.714 32.823 248.367 38.809 45.34653       50.82799 
1 1 1 7   34 6  o 510.982 20.476 55.943  4.4310 50.379  6.0009  62.613  6.5704 481.004 29.603 536.700 29.016 -55.69595      41.45201 
1 1 1 7   34 7  o 274.966 24.601 16.424  2.8344 15.704  3.8755  17.254  4.1561 265.292 35.376 277.963 36.163 -12.67090      50.58918 
1 1 1 7   34 8  o 480.803 20.841 49.632  4.2435 54.065  5.9843  45.148  6.0184 498.108 28.487 453.587 31.527 44.52048       42.49094 
1 1 1 7   34 9  o 313.904 22.495 21.325  2.9705 19.083  4.1828  23.607  4.2193 292.627 34.410 327.371 30.796 -34.74347      46.17817 
1 1 1 7   34 10 o 293.313 34.472 19.229  4.2002 19.229  4.2002  0.0000  0.0000 293.313 34.472 ?       ?      0.000000       34.47152 
1 1 1 7   34 11 f 127.921 35.843 3.7567  2.0194 2.4240  2.9641  4.9111  2.7587 115.956 43.930 145.184 42.291 -29.22758      60.97849 
1 1 1 7   34 12 o 194.410 41.056 8.9023  3.2742 0.0000  0.0000  8.9023  3.2742 ?       ?      194.410 41.056 0.000000       41.05647 
1 1 1 7   34 13 o 200.839 28.085 9.0358  2.3234 9.8268  3.4702  8.3932  3.1280 203.531 41.664 188.304 40.432 15.22760       58.05725 
1 1 1 7   34 14 o 75.622  32.112 0.2055  1.7909 -2.9195 2.6561  2.8104  2.4251 69.776  33.145 114.687 40.298 -44.91031      52.17779 
1 1 1 7   34 15 o 161.326 33.619 6.0673  2.2223 2.7187  3.1246  9.4953  3.1615 118.242 45.030 200.332 38.665 -82.08973      59.35199 
1 1 1 7   34 16 o 200.992 41.674 9.8118  3.4308 0.0000  0.0000  9.8118  3.4308 ?       ?      200.992 41.674 0.000000       41.67357 
1 1 1 7   34 17 o 55.816  26.203 -1.4710 1.5724 -4.3053 2.5144  0.3493  2.0150 60.519  29.584 80.284  34.075 -19.76461      45.12526 
1 1 1 7   35 0  o 567.103 16.302 68.524  3.9152 65.454  6.1212  70.649  5.0933 551.548 26.207 574.677 20.928 -23.12891      33.53752 
1 1 1 7   35 1  o 165.081 29.566 6.0603  1.9911 9.8541  3.0202  3.1440  2.6480 209.989 35.208 123.382 42.172 86.60679       54.93713 
1 1 1 7   35 2  o 259.743 21.554 14.550  2.3495 11.942  3.7076  16.300  3.0372 230.105 39.468 273.799 26.527 -43.69395      47.55417 
1 1 1 7   35 3  o 263.878 21.232 15.015  2.3526 15.351  3.5194  14.743  3.1633 263.841 32.163 259.364 29.314 4.477478       43.51773 
1 1 1 7   35 4  o 354.067 19.157 26.896  2.8618 32.543  4.5449  23.185  3.6839 386.863 27.929 326.552 26.877 60.31024       38.76084 
1 1 1 7   35 5  o 272.420 24.131 16.106  2.7551 18.005  3.9832  14.364  3.8149 285.049 33.645 253.123 36.655 31.92598       49.75536 
1 1 1 7   35 6  o 257.497 23.593 14.400  2.5441 14.128  3.8773  14.605  3.3714 250.314 37.750 256.840 31.667 -6.526459      49.27301 
1 1 1 7   35 7  o 208.048 29.175 9.5909  2.4998 10.199  3.3540  8.8313  3.7494 211.306 38.915 193.840 46.309 17.46643       60.48890 
1 1 1 7   35 8  o 329.052 23.130 23.464  3.2026 19.210  4.3950  28.281  4.6765 292.636 36.239 358.217 31.137 -65.58069      47.77839 
1 1 1 7   35 9  o 307.572 33.439 21.080  4.2854 21.080  4.2854  0.0000  0.0000 307.572 33.439 ?       ?      0.000000       33.43917 
1 1 1 7   35 10 o 491.281 21.252 52.061  4.4215 62.955  6.2622  41.231  6.2439 536.188 27.672 429.566 34.617 106.6221       44.31782 
1 1 1 7   35 11 o 242.379 35.912 13.424  3.5747 0.0000  0.0000  13.424  3.5747 ?       ?      242.379 35.912 0.000000       35.91225 
1 1 1 7   35 12 o 151.100 33.719 5.2997  2.1029 3.7665  3.0937  6.6167  2.8671 130.328 45.531 166.558 40.938 -36.22952      61.22922 
1 1 1 7   35 13 o 172.185 32.612 6.8265  2.2909 9.0956  3.3361  4.8016  3.1515 195.162 41.634 142.384 45.928 52.77826       61.98982 
1 1 1 7   35 14 o 186.303 30.918 7.9329  2.3538 9.0901  3.4123  6.8825  3.2511 193.931 42.704 167.517 44.910 26.41431       61.97225 
1 1 1 7   35 15 o 91.706  35.160 1.4686  1.9130 0.5484  2.7977  2.2767  2.6218 93.927  40.016 108.661 41.279 -14.73409      57.49131 
1 1 1 7   35 16 o 176.145 45.559 7.8189  3.4240 0.0000  0.0000  7.8189  3.4240 ?       ?      176.145 45.559 0.000000       45.55911 
1 1 1 7   35 17 o 69.929  31.073 -0.4182 1.8436 -2.8693 2.8231  1.4041  2.4342 72.033  34.203 96.785  38.874 -24.75243      51.77919 
1 1 1 7   36 0  o 298.313 20.206 19.138  2.5376 20.042  3.8475  18.443  3.3761 302.421 30.456 290.835 27.747 11.58594       41.20013 
1 1 1 7   36 1  o 286.603 20.113 17.675  2.4257 19.069  3.7333  16.656  3.1910 294.856 30.330 276.211 27.651 18.64456       41.04286 
1 1 1 7   36 2  o 285.734 20.049 17.573  2.4106 21.026  3.7836  15.214  3.1276 310.022 29.161 263.523 28.478 46.49915       40.76005 
1 1 1 7   36 3  f 62.453  28.519 -1.0473 1.6794 -0.1723 2.7667  -1.5578 2.1132 90.340  39.153 68.153  31.441 22.18742       50.21450 
1 1 1 7   36 4  o 369.800 18.359 29.268  2.8751 28.710  4.5065  29.651  3.7337 362.072 29.650 370.104 23.950 -8.032562      38.11479 
1 1 1 7   36 5  o 196.182 30.120 8.5710  2.4224 9.3726  3.2693  7.5951  3.6072 202.104 39.614 179.604 46.913 22.49977       61.40114 
1 1 1 7   36 6  o 304.767 20.256 20.033  2.5995 21.921  4.0544  18.715  3.3873 315.240 30.762 292.203 27.704 23.03632       41.39805 
1 1 1 7   36 7  o 331.069 20.931 23.669  2.9195 24.133  4.5079  23.333  3.8317 329.798 32.708 326.225 28.007 3.572632       43.05999 
1 1 1 7   36 8  o 294.141 31.610 19.220  3.8757 19.220  3.8757  0.0000  0.0000 294.141 31.610 ?       ?      0.000000       31.60973 
1 1 1 7   36 9  o 416.180 21.235 37.470  3.7301 36.379  5.2489  38.582  5.3018 405.372 30.806 417.895 30.161 -12.52316      43.11241 
1 1 1 7   36 10 o 233.499 36.568 12.517  3.4974 0.0000  0.0000  12.517  3.4974 ?       ?      233.499 36.568 0.000000       36.56845 
1 1 1 7   36 11 f 163.777 32.479 6.1777  2.1731 8.5550  3.1948  4.1306  2.9646 189.666 40.972 133.975 44.623 55.69099       60.58005 
1 1 1 7   36 12 o 214.655 27.934 10.328  2.4792 10.076  3.5262  10.575  3.4862 205.303 41.974 211.279 40.436 -5.976501      58.28308 
1 1 1 7   36 13 o 145.381 33.907 4.9509  2.0492 4.4163  3.0152  5.4097  2.7936 136.818 44.976 149.620 42.239 -12.80223      61.70033 
1 1 1 7   36 14 o 294.666 24.835 19.257  3.0702 15.310  4.3464  23.188  4.3376 252.117 42.200 318.530 32.615 -66.41374      53.33470 
1 1 1 7   36 15 o 190.143 31.946 8.3992  2.4812 14.358  3.6463  3.2607  3.3859 247.157 35.886 123.765 46.936 123.3926       59.08310 
1 1 1 7   36 16 o 258.914 39.051 16.056  4.1487 0.0000  0.0000  16.056  4.1487 ?       ?      258.914 39.051 0.000000       39.05093 
1 1 1 7   37 0  o 94.249  37.454 1.1392  2.2352 0.9026  3.0057  1.4318  3.3434 102.733 42.463 111.620 45.303 -8.886482      62.09230 
1 1 1 7   37 1  o 210.744 23.798 9.6900  2.0868 7.7807  3.1502  11.183  2.7856 183.345 41.534 224.767 30.014 -41.42200      51.24400 
1 1 1 7   37 2  o 284.777 20.166 17.487  2.4163 14.398  3.6716  19.847  3.2092 253.517 35.143 301.965 25.329 -48.44769      43.32019 
1 1 1 7   37 3  f 319.768 19.392 22.008  2.6137 21.907  4.2735  22.069  3.3035 314.480 32.560 318.623 24.675 -4.142792      40.85374 
1 1 1 7   37 4  o 457.151 17.308 44.723  3.3508 46.554  5.3820  43.564  4.2820 461.901 27.641 448.994 22.592 12.90744       35.69861 
1 1 1 7   37 5  o 272.400 24.279 16.171  2.7714 17.186  3.7279  14.916  4.1439 277.969 32.268 255.684 39.546 22.28500       51.04086 
1 1 1 7   37 6  o 209.632 33.008 9.8959  2.8334 10.224  3.5158  9.2883  4.7859 210.021 41.000 195.022 55.367 14.99872       68.89477 
1 1 1 7   37 7  o 219.206 31.746 10.780  2.8612 12.836  3.5831  7.1624  4.7533 237.423 36.829 172.954 56.451 64.46919       67.40261 
1 1 1 7   37 8  o 232.498 27.953 11.992  2.6971 15.117  3.7220  8.5355  3.9138 258.373 34.910 187.671 48.791 70.70137       59.99410 
1 1 1 7   37 9  o 343.924 32.861 26.583  4.7279 0.0000  0.0000  26.583  4.7279 ?       ?      343.924 32.861 0.000000       32.86115 
1 1 1 7   37 10 o 216.535 25.630 10.410  2.3047 9.1261  3.1845  11.822  3.3397 196.500 39.636 226.178 36.079 -29.67769      53.59757 
1 1 1 7   37 11 o 85.696  33.074 1.1884  1.7005 -0.7387 2.4267  3.0478  2.3837 78.734  35.271 117.232 40.013 -38.49782      53.33944 
1 1 1 7   37 12 o 243.034 25.446 13.119  2.5802 8.3520  3.7938  17.221  3.5194 182.760 48.292 276.074 30.618 -93.31349      57.17995 
1 1 1 7   37 13 o 173.587 30.833 6.9482  2.1836 6.2539  3.2353  7.5290  2.9592 158.482 45.693 176.201 40.505 -17.71866      61.06182 
1 1 1 7   37 14 o 72.182  31.330 -0.0331 1.7767 1.0738  2.6464  -0.9414 2.3972 96.044  39.783 75.955  34.448 20.08878       52.62458 
1 1 1 7   37 15 o 125.580 45.816 3.6054  3.1673 3.6054  3.1673  0.0000  0.0000 125.580 45.816 ?       ?      0.000000       45.81622 
1 1 1 7   37 16 o 143.429 34.169 4.9182  2.0459 3.4187  3.0750  6.1091  2.7404 123.118 45.109 157.046 40.826 -33.92791      60.84128 
1 1 1 7   38 0  o 309.305 19.802 20.621  2.5803 24.026  4.0112  18.218  3.3700 330.801 28.924 288.086 27.976 42.71515       40.23947 
1 1 1 7   38 1  o 217.801 29.239 10.521  2.6288 12.587  3.4198  7.5368  4.1102 236.320 35.248 177.702 51.579 58.61868       62.47310 
1 1 1 7   38 2  f 232.540 22.930 11.779  2.2287 5.2055  3.4007  16.727  2.9506 150.387 47.626 276.673 25.469 -126.2852      54.00787 
1 1 1 7   38 3  o 83.716  33.108 0.9240  1.7388 3.8120  2.6944  -1.1372 2.2762 130.745 42.493 74.024  33.570 56.72099       54.15351 
1 1 1 7   38 4  o 215.046 24.082 10.129  2.1555 6.5171  3.3719  12.626  2.8030 165.895 46.256 238.988 28.241 -73.09250      54.19538 
1 1 1 7   38 5  o 196.640 38.675 8.9380  3.1059 8.9380  3.1059  0.0000  0.0000 196.640 38.675 ?       ?      0.000000       38.67479 
1 1 1 7   38 6  o 215.510 32.521 10.478  2.8757 15.092  3.5732  1.9931  4.8451 259.013 33.350 129.631 53.774 129.3812       63.27608 
1 1 1 7   38 7  o 101.182 41.932 0.9807  2.9421 0.0000  0.0000  0.9807  2.9421 ?       ?      101.182 41.932 0.000000       41.93197 
1 1 1 7   38 8  o 272.272 29.521 16.568  3.3494 0.0000  0.0000  16.568  3.3494 ?       ?      272.272 29.521 0.000000       29.52121 
1 1 1 7   38 9  o 136.404 34.652 4.3608  2.0056 7.1596  2.9971  2.0910  2.6990 172.561 41.517 108.286 41.702 64.27497       58.84481 
1 1 1 7   38 10 f 194.259 28.142 8.5122  2.2477 7.3713  3.3016  9.4978  3.0686 173.376 44.685 201.049 37.418 -27.67278      58.28296 
1 1 1 7   38 11 o 271.897 23.463 16.294  2.6752 12.434  3.7321  20.373  3.8366 228.855 39.962 300.318 30.593 -71.46330      50.32822 
1 1 1 7   38 12 o 118.032 35.676 3.2632  1.9343 2.2939  2.9016  4.0385  2.5951 111.236 43.126 130.244 41.641 -19.00880      59.94889 
1 1 1 7   38 13 o 243.321 25.131 13.248  2.5523 12.566  3.6654  13.890  3.5561 228.536 39.289 242.992 35.614 -14.45605      53.02823 
1 1 1 7   38 14 o 193.518 30.662 8.6827  2.4290 12.117  3.5498  5.6585  3.3310 223.952 38.836 148.933 47.131 75.01947       61.07071 
1 1 1 7   38 15 o 102.351 42.403 1.3857  3.0072 1.3857  3.0072  0.0000  0.0000 102.351 42.403 ?       ?      0.000000       42.40317 
1 1 1 7   39 0  o 491.359 16.657 51.685  3.4661 49.956  5.3699  52.920  4.5381 478.366 26.612 495.347 21.633 -16.98050      34.29594 
1 1 1 7   39 1  o 279.974 20.934 16.979  2.4641 18.120  3.9033  16.223  3.1772 284.726 32.982 271.223 28.068 13.50333       43.30858 
1 1 1 7   39 2  o 331.934 18.679 23.735  2.6151 23.197  3.9657  24.148  3.4786 324.209 29.197 332.660 24.872 -8.451385      38.35467 
1 1 1 7   39 3  f 156.283 43.534 5.7623  2.9883 5.7623  2.9883  0.0000  0.0000 156.283 43.534 ?       ?      0.000000       43.53427 
1 1 1 7   39 4  o 300.576 24.691 19.761  3.1152 15.418  3.9574  26.836  5.0511 260.064 36.973 345.371 35.019 -85.30765      50.92503 
1 1 1 7   39 5  o 281.496 26.504 17.461  3.1224 16.889  3.9753  18.384  5.0449 272.820 35.230 279.879 44.017 -7.058929      56.37951 
1 1 1 7   39 6  o 573.821 30.368 73.125  7.3534 0.0000  0.0000  73.125  7.3534 ?       ?      573.821 30.368 0.000000       30.36805 
1 1 1 7   39 7  o 241.555 32.943 13.283  3.2821 0.0000  0.0000  13.283  3.2821 ?       ?      241.555 32.943 0.000000       32.94300 
1 1 1 7   39 8  f 93.567  33.865 1.7289  1.7255 1.3365  2.4075  2.1432  2.4742 96.793  38.737 106.473 40.184 -9.680130      55.81497 
1 1 1 7   39 9  o 210.764 26.529 9.9459  2.3154 12.974  3.5555  7.7165  3.0510 235.760 36.815 178.744 41.157 57.01628       55.21947 
1 1 1 7   39 10 o 156.862 31.757 5.7138  2.0373 3.3538  2.9192  7.9544  2.8445 123.256 44.118 182.819 37.981 -59.56340      58.21486 
1 1 1 7   39 11 f 358.820 22.310 28.294  3.3734 36.751  4.8778  20.542  4.6703 404.464 28.663 295.239 38.253 109.2254       47.80001 
1 1 1 7   39 12 o 82.385  32.919 0.9603  1.7356 -1.0293 2.7233  2.3212  2.2523 80.579  36.610 105.335 38.604 -24.75661      53.20344 
1 1 1 7   39 13 o 139.337 35.836 4.7059  2.1266 11.070  3.1073  -0.9013 2.9166 215.971 35.185 83.975  38.049 131.9960       51.82386 
1 1 1 7   39 14 o 125.713 35.907 3.8230  2.0066 4.3280  3.1177  3.4658  2.6218 132.727 45.745 121.151 41.938 11.57574       62.05936 
1 1 1 7   40 0  o 78.297  32.939 0.3038  1.8564 1.2440  2.7598  -0.4730 2.5087 101.505 41.173 82.880  36.566 18.62473       55.06559 
1 1 1 7   40 1  o 291.517 23.668 18.556  2.8966 17.716  3.7978  19.725  4.4788 281.091 32.504 294.635 36.690 -13.54385      49.01668 
1 1 1 7   40 2  o 270.253 24.770 16.022  2.8034 19.121  3.5605  10.967  4.5474 293.612 29.014 211.409 51.311 82.20357       58.94592 
1 1 1 7   40 3  o 190.365 41.757 8.5819  3.2737 8.5819  3.2737  0.0000  0.0000 190.365 41.757 ?       ?      0.000000       41.75682 
1 1 1 7   40 4  f 363.956 31.882 29.679  4.8644 0.0000  0.0000  29.679  4.8644 ?       ?      363.956 31.882 0.000000       31.88159 
1 1 1 7   40 5  o 244.379 34.136 13.651  3.4364 0.0000  0.0000  13.651  3.4364 ?       ?      244.379 34.136 0.000000       34.13625 
1 1 1 7   40 6  o 180.142 36.668 7.6289  2.7022 0.0000  0.0000  7.6289  2.7022 ?       ?      180.142 36.668 0.000000       36.66760 
1 1 1 7   40 7  o 76.391  32.404 0.2586  1.8206 -0.2085 2.7969  0.6020  2.3982 88.298  38.795 89.148  37.468 -0.8501663     53.93398 
1 1 1 7   40 8  o 198.243 27.508 8.8653  2.2471 10.889  3.3822  7.2663  3.0067 214.233 38.704 172.816 41.586 41.41660       56.81062 
1 1 1 7   40 9  o 330.205 20.585 23.823  2.8643 21.784  4.4788  25.235  3.7258 306.900 35.091 336.628 26.345 -29.72833      43.88027 
1 1 1 7   40 10 o 101.640 35.066 2.2531  1.8323 -0.7215 3.0291  3.9693  2.3009 87.486  39.284 128.680 38.913 -41.19341      55.29461 
1 1 1 7   40 11 o 180.041 29.549 7.4850  2.1748 7.9409  3.2147  7.1003  2.9531 177.984 43.107 168.978 41.556 9.006516       59.87593 
1 1 1 7   40 12 o 148.950 33.549 5.3119  2.0653 2.8634  3.0837  7.3038  2.7813 116.560 44.652 172.201 39.040 -55.64129      59.31163 
1 1 1 7   40 13 o 174.273 30.736 7.1124  2.1855 5.0537  3.1356  9.0571  3.0477 140.905 45.843 192.186 38.783 -51.28102      60.04764 
1 1 1 7   41 0  o 240.474 27.210 12.840  2.7223 13.696  3.4269  11.376  4.4819 245.479 33.866 215.041 50.139 30.43878       60.50426 
1 1 1 7   41 1  o 245.206 29.780 13.476  3.0289 17.412  3.9037  7.5221  4.8013 276.962 33.996 173.680 56.738 103.2822       66.14328 
1 1 1 7   41 2  o 145.643 33.451 4.9304  2.0198 4.8691  3.1263  4.9744  2.6461 143.350 45.692 144.588 41.211 -1.238205      61.53141 
1 1 1 7   41 3  o 336.211 33.655 25.665  4.7275 0.0000  0.0000  25.665  4.7275 ?       ?      336.211 33.655 0.000000       33.65473 
1 1 1 7   41 4  o 164.533 43.578 6.6093  3.0846 0.0000  0.0000  6.6093  3.0846 ?       ?      164.533 43.578 0.000000       43.57774 
1 1 1 7   41 5  o 244.464 20.996 13.094  2.1526 12.561  3.4397  13.437  2.7598 232.087 36.176 245.029 27.047 -12.94196      45.16950 
1 1 1 7   41 6  o 241.147 22.857 12.838  2.3064 16.859  3.9378  10.739  2.8455 269.571 35.345 216.143 32.059 53.42787       47.71849 
1 1 1 7   41 7  o 104.461 35.810 2.3918  1.9094 1.0376  2.9588  3.3583  2.4994 100.031 41.802 120.957 40.974 -20.92664      58.53412 
1 1 1 7   41 8  o 249.536 23.253 13.787  2.4290 9.9728  3.7044  16.663  3.2172 200.375 44.782 271.763 28.372 -71.38710      53.01303 
1 1 1 7   41 9  o 363.634 19.497 28.869  2.9915 27.755  4.6692  29.645  3.8961 347.795 32.062 364.735 25.382 -16.94086      40.89267 
1 1 1 7   41 10 o 133.135 36.167 4.2986  2.0921 10.831  3.0697  -1.3677 2.8589 213.637 35.152 80.260  36.858 133.3772       50.93340 
1 1 1 7   41 11 o 129.044 33.737 4.0149  1.8644 6.2313  3.0963  2.7541  2.3352 155.607 44.653 110.542 39.471 45.06419       59.59743 
1 1 1 7   41 12 f 229.050 23.840 11.782  2.2786 9.2436  3.5591  13.545  2.9662 189.316 45.045 242.228 29.526 -52.91237      53.85995 
1 1 1 7   41 13 o 122.295 35.787 3.6317  1.9715 6.7249  2.8818  0.9107  2.7029 163.029 41.603 94.075  39.670 68.95358       57.48521 
1 1 1 7   42 0  o 207.934 33.711 9.9651  2.8669 0.0000  0.0000  9.9651  2.8669 ?       ?      207.934 33.711 0.000000       33.71095 
1 1 1 7   42 1  o 161.398 40.205 6.2741  2.7378 0.0000  0.0000  6.2741  2.7378 ?       ?      161.398 40.205 0.000000       40.20502 
1 1 1 7   42 2  o 140.298 49.012 4.6429  3.5848 0.0000  0.0000  4.6429  3.5848 ?       ?      140.298 49.012 0.000000       49.01212 
1 1 1 7   42 3  o 158.133 37.543 5.9863  2.4766 4.3817  3.3192  8.0016  3.7198 136.305 47.187 177.941 48.179 -41.63535      67.43793 
1 1 1 7   42 4  o 217.133 22.578 10.429  2.0458 11.022  3.1296  9.9858  2.7033 217.044 35.259 208.293 31.642 8.750839       47.37501 
1 1 1 7   42 5  o 116.389 34.444 3.1776  1.8172 2.6804  2.8498  3.5184  2.3591 114.665 43.159 122.458 39.760 -7.793266      58.68131 
1 1 1 7   42 6  o 196.787 27.993 8.7970  2.2671 6.3540  3.2484  11.117  3.1657 159.002 45.769 217.450 35.609 -58.44815      57.98972 
1 1 1 7   42 7  o 111.856 35.493 2.9073  1.8880 3.7267  2.8437  2.2614  2.5248 126.182 43.677 107.042 40.546 19.13998       59.59597 
1 1 1 7   42 8  o 90.971  34.257 1.5660  1.7959 3.6805  2.5728  -0.4432 2.5079 124.237 41.574 81.106  36.129 43.13049       55.07890 
1 1 1 7   42 9  o 239.763 23.882 12.873  2.3926 12.687  3.6849  13.008  3.1459 227.854 39.627 235.921 32.339 -8.067307      51.14757 
1 1 1 7   42 10 o 225.498 26.202 11.561  2.4555 10.814  3.6652  12.170  3.3075 206.483 43.299 225.053 35.910 -18.57010      56.25233 
1 1 1 7   42 11 f 166.240 30.547 6.5118  2.0713 5.7408  3.2522  7.0380  2.6867 148.005 46.538 168.316 38.524 -20.31097      60.41457 
1 1 1 7   42 12 o 86.637  34.259 1.2275  1.8616 4.1278  2.9973  -0.5939 2.3752 128.988 44.830 77.146  34.701 51.84200       56.69151 
1 1 1 7   43 0  o 531.033 21.341 61.598  4.7993 0.0000  0.0000  61.598  4.7993 ?       ?      531.033 21.341 0.000000       21.34093 
1 1 1 7   43 1  o 88.099  36.849 0.6930  2.3021 2.1389  3.1675  -0.9259 3.3517 111.720 44.526 90.748  40.983 20.97240       60.51556 
1 1 1 7   43 2  o 127.467 35.750 3.8769  2.0080 2.5775  3.1171  4.7986  2.6252 115.360 44.706 140.083 41.384 -24.72210      60.92025 
1 1 1 7   43 3  o 122.274 35.776 3.5527  1.9703 3.7280  2.9469  3.4110  2.6497 126.676 44.428 121.697 42.159 4.979759       61.24672 
1 1 1 7   43 4  o 151.233 31.070 5.3451  1.9233 5.8421  3.1560  5.0515  2.4259 152.442 45.456 144.004 38.873 8.438370       59.81058 
1 1 1 7   43 5  f 114.291 34.837 3.0729  1.8388 -1.7380 2.8321  6.5792  2.4178 78.022  36.135 165.956 35.477 -87.93410      50.63983 
1 1 1 7   43 6  o 185.146 29.546 7.9078  2.2387 5.5820  3.1547  10.268  3.1776 148.463 45.697 206.631 37.702 -58.16824      59.24257 
1 1 1 7   43 7  o 129.281 34.048 4.0239  1.8899 4.9676  2.8749  3.3056  2.5081 140.441 43.689 118.654 41.021 21.78708       59.92926 
1 1 1 7   43 8  o 338.000 19.824 25.128  2.8252 25.461  4.2218  24.858  3.8018 332.134 30.351 330.663 27.396 1.471191       40.88681 
1 1 1 7   43 9  o 227.518 24.577 11.700  2.3304 9.9208  3.4285  13.229  3.1772 197.736 42.226 236.755 32.550 -39.01895      53.31547 
1 1 1 7   43 10 o 106.874 36.110 2.6733  1.9412 4.5544  2.7867  0.9000  2.7057 133.686 43.195 93.445  39.563 40.24076       58.57480 
1 1 1 7   43 11 o 142.641 37.592 5.0719  2.3028 5.4847  3.1858  4.6203  3.3324 144.562 46.129 134.436 47.239 10.12653       66.02598 
1 1 1 7   44 0  o 301.335 23.773 20.170  3.0091 21.742  4.1176  18.368  4.4083 307.197 32.126 277.341 38.578 29.85565       50.20291 
1 1 1 7   44 1  o 59.915  27.933 -1.3940 1.7362 -3.5064 2.6648  0.1640  2.2885 66.272  31.934 82.654  35.716 -16.38156      47.91064 
1 1 1 7   44 2  o 205.436 25.146 9.4937  2.1421 10.767  3.2943  8.5606  2.8195 211.521 38.181 189.058 36.537 22.46265       52.84665 
1 1 1 7   44 3  o 366.676 18.641 29.324  2.8852 35.673  4.5981  25.201  3.7054 397.933 27.453 335.018 26.329 62.91577       38.03792 
1 1 1 7   44 4  o 192.193 26.742 8.4060  2.1176 6.4522  3.2498  9.8477  2.7917 158.562 45.819 204.596 33.370 -46.03476      56.68269 
1 1 1 7   44 5  o 99.920  34.138 2.2374  1.7352 5.1259  2.6006  -0.0806 2.3296 143.115 40.877 80.756  35.445 62.35966       54.10449 
1 1 1 7   44 6  o 138.227 35.890 4.6822  2.1195 2.2081  2.8239  7.8743  3.2076 107.343 42.274 175.256 43.437 -67.91203      60.61211 
1 1 1 7   44 7  o 120.492 35.372 3.5437  1.9233 2.9045  3.0398  3.9704  2.4836 115.373 44.300 126.269 40.776 -10.89577      60.20946 
1 1 1 7   44 8  o 88.091  34.229 1.3991  1.8310 3.4483  2.8355  -0.0665 2.3979 119.937 43.412 81.173  35.784 38.76467       56.25895 
1 1 1 7   44 9  f 193.851 28.402 8.7402  2.2624 8.0849  3.5518  9.1878  2.9349 173.393 47.133 192.976 37.262 -19.58336      60.08308 
1 1 1 7   44 10 o 59.925  27.793 -1.1535 1.6840 -0.7032 2.6446  -1.4607 2.1840 80.150  36.281 67.638  31.465 12.51199       48.02516 
1 1 1 7   45 0  o 206.789 27.063 9.7409  2.3131 8.4974  4.0808  10.330  2.8077 177.943 51.321 209.848 32.656 -31.90402      60.83031 
1 1 1 7   45 1  f 234.997 22.998 12.319  2.2594 13.569  3.3759  11.305  3.0407 239.796 34.214 218.775 33.918 21.02055       48.17696 
1 1 1 7   45 2  o 117.295 35.023 3.3029  1.8726 2.7776  2.8458  3.7042  2.4870 113.877 43.067 123.596 40.857 -9.719078      59.36408 
1 1 1 7   45 3  o 175.751 29.948 7.2187  2.1491 5.0693  3.5401  8.4731  2.7044 140.428 48.725 187.497 35.356 -47.06828      60.20152 
1 1 1 7   45 4  o 162.901 31.091 6.2859  2.0666 10.831  3.1765  2.9503  2.7213 210.974 36.897 114.303 42.340 96.67138       56.16105 
1 1 1 7   45 5  o 132.124 38.264 4.3696  2.2643 4.4103  2.7535  4.2845  3.9793 131.655 42.965 132.050 50.690 -0.3950653     66.44940 
1 1 1 7   45 6  o 123.146 35.583 3.7437  1.9601 3.1537  2.7189  4.3821  2.8282 115.795 42.418 130.794 43.586 -14.99928      60.81973 
1 1 1 7   45 7  o 81.480  32.958 0.9575  1.7631 1.2512  2.7334  0.7482  2.3073 96.224  40.192 86.638  36.600 9.585526       54.35913 
1 1 1 7   45 8  o 112.945 34.837 3.1104  1.8323 4.3148  2.9152  2.3239  2.3558 129.598 44.249 103.845 39.206 25.75304       59.11909 
1 1 1 7   45 9  o 242.878 31.429 13.938  3.1569 13.000  3.8650  15.818  5.4718 225.794 41.964 234.334 55.917 -8.540405      69.91261 
1 1 1 7   46 0  o 154.540 33.740 5.7794  2.1463 7.6522  3.6543  4.7932  2.6518 168.443 48.561 137.223 41.837 31.22025       64.09814 
1 1 1 7   46 1  o 152.717 31.717 5.5813  1.9842 1.7250  3.2689  7.8311  2.4968 106.022 44.090 180.236 33.958 -74.21473      55.65110 
1 1 1 7   46 2  o 223.284 24.815 11.326  2.3068 13.383  3.3893  9.5511  3.1486 235.525 35.049 195.198 39.446 40.32655       52.76752 
1 1 1 7   46 3  o 59.231  27.929 -1.6657 1.8213 -5.4884 2.7358  1.3773  2.4409 59.152  29.287 94.363  38.551 -35.21053      48.41396 
1 1 1 7   46 4  o 77.513  34.359 -0.1766 2.2406 2.0739  2.9912  -3.0539 3.3821 105.826 42.886 77.791  37.079 28.03555       56.69230 
1 1 1 7   46 5  o 230.799 30.057 12.536  2.8681 14.516  3.6230  9.2123  4.6943 243.346 36.264 175.404 55.998 67.94183       66.71480 
1 1 1 7   46 6  o 178.645 26.462 7.3984  1.9414 11.151  3.0445  4.8268  2.5203 213.877 34.810 136.571 40.598 77.30611       53.47808 
1 1 1 7   46 7  o 128.333 34.795 4.0929  1.9386 1.2612  3.0793  5.9521  2.4951 99.324  42.138 152.819 38.556 -53.49490      57.11547 
1 1 1 7   47 0  o 80.985  32.990 0.9178  1.7810 -2.9542 3.2195  2.6255  2.1380 75.782  36.136 106.024 37.777 -30.24193      52.27752 
1 1 1 7   47 1  o 81.164  33.638 0.8011  1.8934 3.5138  3.0362  -0.9254 2.4221 119.850 44.658 74.662  34.154 45.18852       56.22132 
1 1 1 7   47 2  o 123.701 38.739 3.8894  2.2561 5.3642  2.8711  1.5087  3.6478 141.822 43.585 105.822 45.403 35.99950       62.93737 
1 1 1 7   47 3  o 138.899 33.111 4.7537  1.9201 4.0227  3.0106  5.2549  2.4930 125.077 44.800 142.305 39.806 -17.22809      59.92989 
1 1 1 7   47 4  o 212.768 25.342 10.411  2.2385 10.852  3.3778  10.066  2.9891 205.832 40.193 201.191 36.423 4.640701       54.24121 
1 1 1 7   47 5  o 152.733 30.657 5.6200  1.9140 4.1179  3.0059  6.6443  2.4822 126.080 44.807 162.256 36.951 -36.17588      58.07774 
1 1 1 7   47 6  f 131.200 40.112 4.4537  2.4353 4.8253  2.8630  3.4813  4.6316 134.834 43.802 125.345 52.333 9.488350       68.24477 
1 1 1 7   48 0  o 78.068  32.710 0.6561  1.8187 -0.1778 3.0210  1.1301  2.2776 87.293  39.212 88.911  36.874 -1.618187      53.82658 
1 1 1 7   48 1  o 176.476 28.878 7.3977  2.0836 4.3004  3.5497  9.0257  2.5735 127.621 48.140 192.469 32.746 -64.84811      58.22168 
1 1 1 7   48 2  o 92.648  35.695 1.7389  1.9782 7.4529  3.0118  -2.5963 2.6234 167.052 42.477 68.041  32.493 99.01163       53.48022 
1 1 1 7   48 3  o 158.129 32.124 6.1116  2.0779 4.6357  3.1248  7.2814  2.7820 131.189 45.764 167.263 39.844 -36.07385      60.67814 
1 1 1 7   48 4  o 70.920  32.490 -0.8991 2.2028 -2.8858 2.7566  2.6106  3.6639 68.837  32.990 113.390 46.877 -44.55353      57.32170 
1 1 1 7   49 0  o 54.218  26.219 -2.4968 1.8356 -2.1493 3.0591  -2.6922 2.2945 76.290  36.041 61.871  29.768 14.41938       46.74444 
1 1 1 7   49 1  o 150.765 40.934 6.0621  2.6808 1.6469  3.5070  12.268  4.1579 104.179 44.603 209.201 47.956 -105.0223      65.49249 
1 1 1 8   0  0  o 411.775 22.132 36.314  3.8339 32.874  5.4283  39.739  5.4157 388.512 33.569 428.960 30.154 0.000000       0.000000 
1 1 1 8   0  1  o 705.229 22.851 105.931 6.8083 110.364 9.6489  101.535 9.6079 717.936 31.879 688.122 33.145 0.000000       0.000000 
1 1 1 8   0  2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   0  3  o 355.744 22.711 27.180  3.3895 36.075  4.8549  18.722  4.7344 409.173 28.329 287.974 41.282 0.000000       0.000000 
1 1 1 8   0  4  o 546.609 22.707 63.713  5.2356 62.963  7.4187  64.456  7.3898 541.324 32.633 547.899 32.101 0.000000       0.000000 
1 1 1 8   0  5  o 818.802 23.553 142.577 8.1517 142.912 11.520  142.241 11.537 817.988 33.381 816.027 33.512 0.000000       0.000000 
1 1 1 8   0  6  o 903.953 23.954 173.702 9.1554 170.883 12.931  176.535 12.965 894.735 34.240 909.574 33.763 0.000000       0.000000 
1 1 1 8   0  7  o 111.328 48.354 3.7742  2.3585 3.7742  2.3585  0.0000  0.0000 111.328 48.354 111.328 48.354 0.000000       0.000000 
1 1 1 8   0  8  o 932.983 24.279 185.042 9.5782 200.175 13.566  170.001 13.525 968.877 33.152 892.002 35.936 0.000000       0.000000 
1 1 1 8   0  9  o 448.192 23.190 42.954  4.3747 44.910  6.1295  40.922  6.2457 456.395 32.077 434.714 34.423 0.000000       0.000000 
1 1 1 8   0  10 o 1825.87 30.544 708.999 23.603 765.839 33.393  652.252 33.366 1894.22 41.674 1746.64 45.177 0.000000       0.000000 
1 1 1 8   0  11 o 179.745 31.398 7.4591  2.1717 8.7583  3.0728  6.1625  3.0698 189.284 44.085 147.433 53.505 0.000000       0.000000 
1 1 1 8   0  12 o 1392.67 27.297 412.502 16.086 405.004 22.624  420.167 22.874 1376.82 38.872 1402.51 38.578 0.000000       0.000000 
1 1 1 8   0  13 o 580.255 33.476 72.362  8.1635 0.0000  0.0000  72.362  8.1635 580.255 33.476 580.255 33.476 0.000000       0.000000 
1 1 1 8   0  14 o 172.965 50.137 7.7961  3.1869 7.7961  3.1869  0.0000  0.0000 172.965 50.137 172.965 50.137 0.000000       0.000000 
1 1 1 8   0  15 o 510.290 23.784 55.669  5.1143 57.945  7.1849  53.331  7.2816 518.442 33.032 496.534 35.029 0.000000       0.000000 
1 1 1 8   0  16 o 97.738  42.755 2.9279  1.8434 6.0226  2.7300  0.3342  2.4993 148.380 48.919 65.542  41.566 0.000000       0.000000 
1 1 1 8   0  17 o 567.277 23.714 68.810  5.6744 71.899  7.9533  65.608  8.0983 577.442 32.765 550.600 35.056 0.000000       0.000000 
1 1 1 8   0  18 f 1255.62 26.652 336.518 14.158 315.053 19.720  359.350 20.339 1209.53 38.588 1292.74 37.221 0.000000       0.000000 
1 1 1 8   0  19 o 768.634 24.273 126.251 7.8833 122.878 10.983  129.835 11.322 754.723 34.527 775.885 34.615 0.000000       0.000000 
1 1 1 8   0  20 o 270.430 25.602 16.024  2.8716 20.356  4.0762  11.756  4.0462 302.913 32.745 217.629 50.467 0.000000       0.000000 
1 1 1 8   0  21 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   0  22 o 325.250 25.398 23.043  3.4493 29.510  4.9424  16.903  4.8160 365.975 32.478 267.203 46.873 0.000000       0.000000 
1 1 1 8   0  23 o 394.078 24.731 33.666  4.0900 29.871  5.5677  38.114  6.0279 365.490 36.829 415.120 34.854 0.000000       0.000000 
1 1 1 8   0  24 o 156.368 36.675 6.0679  2.1104 8.1382  2.8147  3.4100  3.1893 180.511 42.377 101.994 54.366 0.000000       0.000000 
1 1 1 8   1  0  o 1013.77 17.070 218.352 7.3287 214.602 10.342  222.135 10.387 1003.28 24.342 1020.83 24.026 -17.54828      34.20181 
1 1 1 8   1  1  o 560.911 15.716 66.792  3.7332 68.033  5.2771  65.550  5.2821 565.387 22.040 554.917 22.477 10.47003       31.47942 
1 1 1 8   1  2  o 702.575 32.497 105.560 9.6690 0.0000  0.0000  105.560 9.6690 ?       ?      702.575 32.497 0.000000       32.49712 
1 1 1 8   1  3  o 353.138 15.803 26.461  2.3633 25.970  3.3391  26.953  3.3454 348.730 22.734 355.348 22.344 -6.617218      31.87661 
1 1 1 8   1  4  o 898.602 16.826 171.340 6.4031 171.249 9.0471  171.431 9.0636 897.425 23.805 897.894 23.836 -0.4698486     33.68721 
1 1 1 8   1  5  o 578.147 18.487 70.939  4.5263 73.509  5.5450  65.807  7.8356 588.225 22.259 554.402 33.532 33.82324       40.24742 
1 1 1 8   1  6  o 612.256 16.124 79.505  4.1808 86.415  5.9358  72.703  5.8895 637.855 21.974 584.913 23.776 52.94220       32.37551 
1 1 1 8   1  7  o 857.084 23.799 156.102 8.6382 156.417 12.214  155.786 12.219 856.425 33.675 854.680 33.759 1.744934       47.68321 
1 1 1 8   1  8  o 945.348 17.180 189.597 6.8781 201.815 9.7345  177.417 9.7197 974.503 23.588 913.478 25.125 61.02490       34.46249 
1 1 1 8   1  9  o 605.513 16.273 77.778  4.1729 78.732  5.8869  76.816  5.9159 608.669 22.838 601.180 23.237 7.489380       32.58101 
1 1 1 8   1  10 o 821.572 16.848 143.231 5.8619 146.530 8.2859  139.926 8.2940 830.127 23.570 811.122 24.145 19.00574       33.74215 
1 1 1 8   1  11 f 846.081 16.975 151.938 6.0824 152.990 8.5850  150.877 8.6187 848.019 23.905 842.099 24.168 5.920349       33.99324 
1 1 1 8   1  12 o 750.017 16.822 119.409 5.3430 122.901 7.5607  115.924 7.5516 760.011 23.491 738.020 24.162 21.99060       33.69879 
1 1 1 8   1  13 o 684.485 23.809 99.720  6.9016 101.532 9.7641  97.910  9.7565 688.950 33.466 675.560 34.214 13.38995       47.85979 
1 1 1 8   1  14 o 263.490 25.547 14.930  2.8149 17.823  4.0088  12.116  3.9535 286.655 33.664 233.961 41.418 52.69415       53.37305 
1 1 1 8   1  15 o 279.787 17.806 16.701  2.0989 18.392  2.9609  14.994  2.9757 292.789 24.093 263.677 27.030 29.11169       36.20912 
1 1 1 8   1  16 o 317.266 17.504 21.468  2.3427 22.366  3.3712  20.630  3.2578 322.695 24.860 309.814 25.044 12.88196       35.28824 
1 1 1 8   1  17 o 189.687 20.219 7.7553  1.5992 7.5929  2.2835  7.9117  2.2403 185.725 30.060 189.961 28.747 -4.235596      41.59332 
1 1 1 8   1  18 o 581.260 16.750 71.920  4.1232 76.828  5.8422  67.049  5.8199 599.365 23.017 559.538 24.561 39.82642       33.66012 
1 1 1 8   1  19 o 486.002 16.766 50.313  3.4507 50.032  4.8838  50.592  4.8764 483.174 23.868 485.914 23.697 -2.739014      33.63363 
1 1 1 8   1  20 o 446.221 19.660 42.585  3.7152 44.519  4.5555  38.743  6.4199 454.617 23.744 419.122 36.535 35.49448       43.57269 
1 1 1 8   1  21 o 391.613 33.541 33.813  5.5090 33.813  5.5090  0.0000  0.0000 391.613 33.541 ?       ?      0.000000       33.54141 
1 1 1 8   1  22 o 204.670 24.046 9.1583  2.0445 9.1081  2.5604  9.2468  3.3961 202.089 30.899 200.031 41.452 2.058441       51.70119 
1 1 1 8   1  23 o 255.899 18.247 14.119  1.9645 13.522  2.8012  14.697  2.7558 247.724 27.146 258.967 25.458 -11.24297      37.21556 
1 1 1 8   1  24 o 320.283 17.823 22.081  2.4079 24.718  3.4996  19.711  3.3181 336.453 24.734 299.607 26.422 36.84641       36.19275 
1 1 1 8   2  0  o 846.909 16.443 152.347 5.8972 147.881 8.2910  156.920 8.3897 833.059 23.501 858.235 23.083 -25.17645      32.94157 
1 1 1 8   2  1  o 872.557 16.586 161.675 6.1289 161.223 8.6372  162.134 8.6982 870.096 23.440 872.529 23.540 -2.433655      33.22021 
1 1 1 8   2  2  f 1021.38 34.795 223.394 15.050 0.0000  0.0000  223.394 15.050 ?       ?      1021.38 34.795 0.000000       34.79506 
1 1 1 8   2  3  o 107.621 22.677 2.5555  1.0009 2.3610  1.4005  2.7586  1.4311 104.113 30.076 111.780 29.719 -7.666588      42.28223 
1 1 1 8   2  4  o 716.966 16.257 109.058 4.9359 118.355 6.9877  99.799  6.9732 746.287 22.110 685.067 24.036 61.21985       32.65829 
1 1 1 8   2  5  o 923.818 19.599 181.176 7.6676 192.648 9.3830  158.113 13.303 952.120 23.270 860.304 36.514 91.81628       43.29895 
1 1 1 8   2  6  o 880.879 16.790 164.597 6.2635 160.820 8.8394  168.406 8.8764 869.904 23.994 890.245 23.544 -20.34125      33.61632 
1 1 1 8   2  7  o 1195.23 25.607 303.747 12.962 311.355 18.277  296.049 18.384 1207.75 35.735 1177.38 36.871 30.36438       51.34608 
1 1 1 8   2  8  o 894.098 16.954 169.590 6.4194 166.906 9.0396  172.321 9.1178 886.148 24.088 900.431 23.911 -14.28308      33.94044 
1 1 1 8   2  9  o 348.235 16.393 25.726  2.4176 24.793  3.3946  26.687  3.4440 340.701 23.674 353.604 23.126 -12.90317      33.09502 
1 1 1 8   2  10 o 610.428 16.294 79.060  4.2122 78.935  5.9287  79.188  5.9855 609.339 22.975 610.292 23.159 -0.9537354     32.62188 
1 1 1 8   2  11 o 511.439 16.362 55.509  3.5439 59.492  5.0193  51.549  5.0044 528.960 22.407 492.234 24.007 36.72595       32.83882 
1 1 1 8   2  12 o 522.872 16.451 58.028  3.6427 59.618  5.1418  56.426  5.1615 529.392 22.935 514.947 23.668 14.44519       32.95751 
1 1 1 8   2  13 o 350.290 24.310 26.246  3.5839 26.238  5.0948  26.254  5.0424 348.371 35.008 348.553 34.618 -0.1829529     49.23360 
1 1 1 8   2  14 o 569.894 23.302 69.133  5.6238 75.546  7.9694  62.773  7.9373 593.567 31.820 540.206 34.882 53.36115       47.21467 
1 1 1 8   2  15 o 332.391 17.648 23.542  2.4753 24.159  3.5311  22.947  3.4710 335.679 25.019 327.061 25.256 8.617767       35.54990 
1 1 1 8   2  16 o 659.819 16.858 92.549  4.7105 92.707  6.6876  92.394  6.6359 659.061 23.961 657.980 23.815 1.081177       33.78250 
1 1 1 8   2  17 o 316.245 17.413 21.347  2.3231 19.493  3.2857  23.200  3.2849 300.634 26.066 328.635 23.763 -28.00098      35.27191 
1 1 1 8   2  18 f 580.846 16.768 71.820  4.1246 76.691  5.8521  67.012  5.8143 598.801 23.077 559.372 24.544 39.42841       33.68972 
1 1 1 8   2  19 o 196.641 20.181 8.3432  1.6567 7.8278  2.4409  8.7835  2.2559 187.820 31.824 200.327 27.303 -12.50719      41.93121 
1 1 1 8   2  20 o 304.213 21.065 19.914  2.6971 19.396  3.3074  20.943  4.6599 298.847 26.405 307.258 36.528 -8.411316      45.07220 
1 1 1 8   2  21 o 314.181 36.457 22.008  4.7605 22.008  4.7605  0.0000  0.0000 314.181 36.457 ?       ?      0.000000       36.45668 
1 1 1 8   2  22 o 95.971  30.792 1.9768  1.4180 2.8610  1.7661  0.3723  2.3790 113.275 34.055 88.507  37.264 24.76796       50.48141 
1 1 1 8   2  23 o 302.484 18.128 19.698  2.3115 19.535  3.3427  19.847  3.1999 298.385 26.737 301.309 25.312 -2.924774      36.81773 
1 1 1 8   2  24 o 236.855 19.489 12.149  1.9376 11.480  2.7313  12.828  2.7491 227.131 29.061 240.880 27.439 -13.74838      39.96809 
1 1 1 8   3  0  o 558.525 15.607 66.236  3.6915 63.262  5.1754  69.316  5.2670 545.048 22.421 570.618 21.796 -25.56970      31.26963 
1 1 1 8   3  1  o 436.014 15.523 40.354  2.8663 39.613  4.0162  41.124  4.0921 430.889 22.083 439.608 21.980 -8.719269      31.15782 
1 1 1 8   3  2  o 446.662 22.506 42.548  4.2435 0.0000  0.0000  42.548  4.2435 ?       ?      446.662 22.506 0.000000       22.50578 
1 1 1 8   3  3  o 214.576 17.041 9.8337  1.5358 9.4168  2.1481  10.269  2.1965 208.921 24.761 218.391 24.154 -9.469528      34.59066 
1 1 1 8   3  4  o 618.125 15.960 81.054  4.1779 79.905  5.8703  82.233  5.9473 613.154 22.607 622.028 22.577 -8.873718      31.95000 
1 1 1 8   3  5  o 1069.94 20.130 243.055 9.1212 241.890 11.146  245.419 15.872 1066.66 24.674 1072.24 34.953 -5.579956      42.78436 
1 1 1 8   3  6  o 365.836 16.031 28.385  2.4837 26.886  3.4872  29.929  3.5383 354.962 23.328 374.696 22.401 -19.73389      32.34159 
1 1 1 8   3  7  o 420.057 18.498 37.443  3.2906 38.914  4.0163  34.440  5.7390 427.446 22.264 400.388 34.173 27.05820       40.78623 
1 1 1 8   3  8  o 916.058 16.980 178.026 6.5874 175.302 9.2873  180.785 9.3449 908.141 24.149 922.266 23.926 -14.12555      33.99451 
1 1 1 8   3  9  f 308.923 16.643 20.306  2.1693 19.879  3.0493  20.743  3.0868 304.875 23.807 311.498 23.574 -6.622894      33.50375 
1 1 1 8   3  10 o 537.482 16.295 61.295  3.7091 61.058  5.2109  61.538  5.2806 535.906 22.961 537.988 23.177 -2.082642      32.62484 
1 1 1 8   3  11 o 270.948 17.200 15.646  1.9634 17.481  2.7974  13.863  2.7564 285.745 23.320 253.853 26.007 31.89178       34.93140 
1 1 1 8   3  12 o 428.741 16.484 39.017  2.9930 42.279  4.2399  35.777  4.2255 445.273 22.558 409.241 24.494 36.03265       33.29899 
1 1 1 8   3  13 o 413.684 24.027 36.550  4.1911 37.584  5.9482  35.530  5.9063 417.772 33.913 405.960 34.688 11.81131       48.51140 
1 1 1 8   3  14 o 266.777 25.556 15.302  2.8519 15.043  4.0106  15.568  4.0564 262.281 37.146 266.966 36.862 -4.685181      52.33173 
1 1 1 8   3  15 o 313.556 18.005 20.964  2.3808 20.597  3.3630  21.332  3.3710 309.645 25.883 315.225 25.469 -5.580719      36.31302 
1 1 1 8   3  16 f 713.005 16.932 108.079 5.1125 109.711 7.2053  106.425 7.2554 716.982 23.730 706.036 24.266 10.94617       33.94027 
1 1 1 8   3  17 o 423.272 16.994 38.119  3.0462 40.358  4.2959  35.855  4.3201 433.966 23.462 408.608 25.087 25.35809       34.34880 
1 1 1 8   3  18 o 335.024 17.441 23.968  2.4659 27.320  3.5070  20.690  3.4681 356.605 23.351 309.381 26.732 47.22427       35.49492 
1 1 1 8   3  19 o 321.666 20.529 22.195  2.7819 17.216  4.8610  24.620  3.3924 276.869 42.842 338.116 23.845 -61.24658      49.03030 
1 1 1 8   3  20 o 262.254 18.776 14.772  2.0715 14.943  2.9943  14.614  2.8687 261.728 27.422 259.041 26.525 2.687500       38.15094 
1 1 1 8   3  21 o 283.449 25.875 17.499  3.0717 18.851  4.2953  16.084  4.3945 290.812 35.621 266.514 40.184 24.29791       53.69956 
1 1 1 8   3  22 o 234.721 21.604 11.946  2.1234 12.093  2.6009  11.653  3.6772 234.769 26.632 225.704 39.932 9.064270       47.99760 
1 1 1 8   3  23 o 208.031 24.224 9.4979  2.0941 11.536  3.9172  8.6823  2.4780 222.058 43.210 196.683 30.757 25.37474       53.03887 
1 1 1 8   3  24 o 397.481 20.764 34.160  3.4831 41.946  6.3957  30.877  4.1530 432.509 35.224 375.505 26.282 57.00415       43.94831 
1 1 1 8   4  0  o 732.581 15.951 113.959 4.9486 118.609 6.9491  109.174 7.0488 746.438 21.983 715.907 23.250 30.53137       31.99697 
1 1 1 8   4  1  o 343.287 17.973 25.102  2.6038 23.573  3.1599  28.337  4.5956 332.048 22.606 362.940 30.173 -30.89282      37.70171 
1 1 1 8   4  2  o 549.021 18.144 64.015  4.2186 64.107  7.2308  63.967  5.1942 546.937 31.349 548.394 22.366 -1.457214      38.50938 
1 1 1 8   4  3  o 619.304 15.860 81.377  4.1596 83.088  5.8491  79.625  5.9166 625.191 22.092 611.941 22.831 13.24969       31.76933 
1 1 1 8   4  4  o 537.697 15.755 61.329  3.5877 62.117  5.0398  60.521  5.1083 540.676 22.011 533.635 22.604 7.041382       31.55042 
1 1 1 8   4  5  o 770.743 23.151 126.232 7.5566 122.207 10.652  130.309 10.721 756.942 33.230 781.773 32.383 -24.83167      46.39991 
1 1 1 8   4  6  f 292.275 19.016 18.206  2.3409 18.699  3.9936  17.948  2.8894 294.419 32.575 289.656 23.764 4.762207       40.32219 
1 1 1 8   4  7  o 320.299 23.031 21.908  3.1031 23.252  4.3640  20.534  4.4133 328.828 31.732 308.379 34.379 20.44897       46.78505 
1 1 1 8   4  8  o 519.545 16.052 57.254  3.5318 54.288  4.9545  60.318  5.0361 505.443 23.146 532.841 22.318 -27.39844      32.15329 
1 1 1 8   4  9  f 534.390 16.132 60.581  3.6509 57.231  5.1374  63.998  5.1894 518.882 23.379 548.792 22.329 -29.91052      32.32898 
1 1 1 8   4  10 o 820.587 16.808 142.893 5.8411 150.144 8.2596  135.639 8.2615 840.317 23.210 798.518 24.430 41.79944       33.69771 
1 1 1 8   4  11 o 798.323 16.758 135.268 5.6655 133.077 7.9742  137.500 8.0508 790.885 23.808 803.947 23.647 -13.06158      33.55589 
1 1 1 8   4  12 f 442.060 16.612 41.481  3.1099 42.924  4.3850  40.020  4.4113 448.574 23.162 432.951 24.156 15.62259       33.46621 
1 1 1 8   4  13 o 679.342 19.196 98.054  5.5227 94.720  6.7362  104.889 9.6454 667.079 23.845 700.405 32.518 -33.32629      40.32373 
1 1 1 8   4  14 o 401.449 23.510 34.427  3.9795 41.788  5.6737  27.300  5.5830 441.182 30.555 354.660 37.752 86.52261       48.56812 
1 1 1 8   4  15 o 325.587 17.550 22.592  2.4109 22.290  3.3402  22.920  3.4834 322.391 24.652 326.816 25.367 -4.425842      35.37253 
1 1 1 8   4  16 o 645.010 16.870 88.451  4.6081 88.701  6.4746  88.194  6.5599 644.654 23.716 642.724 24.101 1.930115       33.81263 
1 1 1 8   4  17 o 271.264 21.871 15.806  2.4911 15.120  4.4444  16.121  3.0080 260.461 41.699 273.104 26.335 -12.64325      49.31895 
1 1 1 8   4  18 o 1033.59 17.937 227.614 7.8513 226.783 11.062  228.458 11.145 1028.53 25.397 1032.27 25.494 -3.742065      35.98602 
1 1 1 8   4  19 o 576.732 19.805 71.032  4.8371 62.179  8.3419  75.517  5.9372 532.738 37.208 593.600 23.618 -60.86218      44.07136 
1 1 1 8   4  20 o 362.273 20.645 28.195  3.1542 31.286  5.5793  26.743  3.8239 376.628 35.396 351.343 25.882 25.28568       43.84927 
1 1 1 8   4  21 o 363.250 37.412 29.420  5.6729 0.0000  0.0000  29.420  5.6729 ?       ?      363.250 37.412 0.000000       37.41217 
1 1 1 8   4  22 o 258.136 26.925 14.605  2.9001 15.184  4.1238  14.037  4.0793 258.762 38.830 248.031 40.214 10.73138       55.90058 
1 1 1 8   4  23 o 219.991 28.946 10.759  2.6312 10.687  3.7902  10.826  3.6557 213.382 43.420 215.634 41.539 -2.252258      60.08999 
1 1 1 8   4  24 o 150.577 27.188 5.0913  1.6699 4.6486  3.0691  5.2774  1.9903 141.991 45.274 151.977 31.939 -9.985641      55.40552 
1 1 1 8   5  0  o 221.647 16.410 10.489  1.5294 10.880  2.1278  10.072  2.1997 224.938 22.645 216.045 24.474 8.892242       33.34295 
1 1 1 8   5  1  o 853.927 18.813 154.940 6.8034 154.474 8.3058  155.891 11.860 851.907 23.022 853.527 32.812 -1.619507      40.08306 
1 1 1 8   5  2  o 977.432 16.882 202.804 6.9880 195.915 9.8106  209.899 9.9561 959.429 24.146 993.180 23.671 -33.75061      33.81321 
1 1 1 8   5  3  o 1183.57 20.557 297.611 10.304 294.245 12.550  304.573 18.049 1175.88 25.202 1193.35 35.713 -17.46826      43.71046 
1 1 1 8   5  4  o 1032.34 17.180 226.138 7.5109 238.626 10.582  213.459 10.663 1059.48 23.585 1001.78 25.133 57.69452       34.46595 
1 1 1 8   5  5  o 616.106 22.535 80.644  5.8797 85.411  8.3352  75.923  8.2952 633.100 31.089 595.769 33.007 37.33081       45.34261 
1 1 1 8   5  6  o 428.491 22.590 39.111  4.0848 34.782  5.6837  43.734  5.8747 402.479 33.655 452.074 30.870 -49.59427      45.66819 
1 1 1 8   5  7  o 864.094 19.390 158.484 7.0956 155.156 12.189  160.189 8.7266 852.890 33.747 868.209 23.734 -15.31891      41.25772 
1 1 1 8   5  8  o 527.689 16.021 59.064  3.5802 58.643  5.0251  59.497  5.1022 525.359 22.586 529.154 22.769 -3.795105      32.07098 
1 1 1 8   5  9  o 542.220 16.213 62.372  3.7230 61.564  5.2167  63.210  5.3149 538.193 22.888 545.329 23.014 -7.136536      32.45786 
1 1 1 8   5  10 o 1538.33 19.884 502.645 12.954 514.228 18.284  490.971 18.355 1553.67 27.788 1517.87 28.555 35.79590       39.84458 
1 1 1 8   5  11 o 916.188 17.132 178.182 6.6472 172.743 9.3718  183.688 9.4297 900.915 24.564 929.132 23.965 -28.21729      34.31750 
1 1 1 8   5  12 o 704.443 19.275 105.428 5.7502 116.491 10.020  99.996  7.0214 738.308 32.047 685.398 24.190 52.90997       40.15223 
1 1 1 8   5  13 o 653.588 16.607 90.685  4.5966 87.778  6.4617  93.663  6.5402 642.167 23.761 663.414 23.279 -21.24713      33.26372 
1 1 1 8   5  14 o 1511.82 28.103 487.790 17.992 445.196 25.241  531.791 25.654 1437.68 41.457 1573.12 38.508 -135.4412      56.58266 
1 1 1 8   5  15 o 474.979 16.806 47.931  3.3806 46.169  4.7283  49.774  4.8352 464.734 24.107 483.236 23.627 -18.50220      33.75513 
1 1 1 8   5  16 o 597.331 16.869 75.864  4.2673 78.114  5.9845  73.536  6.0866 604.985 23.358 586.762 24.494 18.22266       33.84646 
1 1 1 8   5  17 o 599.611 19.593 76.632  4.9753 81.587  8.6209  74.157  6.0923 614.068 33.275 588.779 24.434 25.28876       41.28214 
1 1 1 8   5  18 o 219.550 22.804 10.417  2.0893 10.967  3.6442  10.149  2.5501 220.919 40.442 215.407 28.666 5.511658       49.57091 
1 1 1 8   5  19 o 321.596 26.440 22.381  3.5690 19.334  4.9368  25.716  5.1657 294.366 40.690 341.817 36.238 -47.45074      54.48700 
1 1 1 8   5  20 o 462.468 24.110 46.125  4.7055 45.110  6.7389  47.090  6.5735 452.619 35.440 463.327 33.733 -10.70743      48.92772 
1 1 1 8   5  21 o 165.253 32.581 6.1649  2.1991 0.0000  0.0000  6.1649  2.1991 ?       ?      165.253 32.581 0.000000       32.58117 
1 1 1 8   5  22 o 463.975 24.381 46.648  4.7738 49.800  6.8314  43.640  6.6738 474.273 34.243 442.876 35.892 31.39749       49.60656 
1 1 1 8   5  23 o 206.191 24.996 9.3578  2.1380 10.654  3.7976  8.7564  2.5869 212.887 43.589 196.979 32.118 15.90820       54.14451 
1 1 1 8   5  24 o 256.659 22.225 14.345  2.3918 15.164  4.4765  14.018  2.8296 254.934 42.993 252.086 26.921 2.848846       50.72656 
1 1 1 8   6  0  o 992.566 19.367 209.425 8.1409 211.852 13.882  208.153 10.051 994.633 32.956 988.514 24.009 6.119812       40.77426 
1 1 1 8   6  1  o 220.120 23.841 10.434  2.1869 11.643  3.1278  9.2781  3.0589 231.059 32.893 205.055 36.566 26.00417       49.18407 
1 1 1 8   6  2  o 621.864 18.207 82.118  4.7948 75.784  8.1875  85.424  5.9152 594.667 32.636 633.840 22.037 -39.17261      39.37912 
1 1 1 8   6  3  o 633.830 22.493 85.398  6.0375 86.599  8.4281  84.132  8.6532 637.123 31.236 626.926 32.706 10.19733       45.22573 
1 1 1 8   6  4  o 480.117 18.260 48.924  3.7128 49.977  6.4408  48.400  4.5436 483.111 31.656 477.253 22.481 5.858337       38.82660 
1 1 1 8   6  5  o 1148.72 25.064 280.560 12.193 301.486 17.252  259.678 17.235 1188.67 34.272 1102.50 36.913 86.16785       50.37063 
1 1 1 8   6  6  o 774.061 23.242 127.308 7.6190 124.662 10.671  130.059 10.882 764.654 32.952 781.040 32.901 -16.38605      46.56474 
1 1 1 8   6  7  o 1184.86 20.785 298.104 10.430 308.942 17.967  292.595 12.809 1203.06 35.265 1172.98 25.785 30.07373       43.68623 
1 1 1 8   6  8  o 648.457 18.763 89.253  5.1525 93.811  8.9062  86.959  6.3170 663.334 31.704 639.654 23.320 23.68030       39.35693 
1 1 1 8   6  9  o 608.067 18.754 78.494  4.8293 73.032  8.2961  81.293  5.9394 583.910 33.693 618.448 22.677 -34.53845      40.61361 
1 1 1 8   6  10 o 294.442 19.806 18.497  2.4553 18.076  4.1985  18.717  3.0268 288.704 35.059 295.613 24.396 -6.909088      42.71180 
1 1 1 8   6  11 o 630.648 18.995 84.476  5.0731 92.851  8.7636  80.255  6.2215 659.407 31.382 614.135 23.921 45.27185       39.45994 
1 1 1 8   6  12 o 631.573 23.347 84.881  6.2445 82.054  8.7782  87.777  8.8848 618.438 33.643 639.883 32.898 -21.44440      47.05510 
1 1 1 8   6  13 o 548.131 19.129 63.837  4.4404 72.590  7.6986  59.473  5.4357 582.005 31.351 528.512 24.286 53.49274       39.65694 
1 1 1 8   6  14 o 762.230 23.909 123.741 7.7178 0.0000  0.0000  123.741 7.7178 ?       ?      762.230 23.909 0.000000       23.90918 
1 1 1 8   6  15 o 1056.83 20.719 237.733 9.2732 221.611 16.034  245.835 11.367 1014.47 37.322 1073.42 25.005 -58.95251      44.92457 
1 1 1 8   6  16 o 757.740 19.731 122.282 6.3316 115.369 11.004  125.703 7.7414 731.304 35.532 767.256 23.825 -35.95209      42.78069 
1 1 1 8   6  17 o 426.851 19.892 38.847  3.5958 47.322  6.2390  34.632  4.4002 467.637 31.691 401.233 26.037 66.40421       41.01479 
1 1 1 8   6  18 o 328.802 20.877 23.180  2.8920 21.080  5.1004  24.175  3.5109 308.358 40.000 334.945 24.930 -26.58719      47.13315 
1 1 1 8   6  19 o 125.286 38.226 3.4583  2.2132 1.8114  2.9794  5.4857  3.3058 111.793 43.600 155.855 46.533 -44.06232      63.76770 
1 1 1 8   6  20 o 353.086 25.077 26.989  3.7253 24.636  5.2991  29.287  5.2383 332.428 38.344 364.503 34.339 -32.07562      51.47304 
1 1 1 8   6  21 o 355.734 24.971 27.450  3.7380 0.0000  0.0000  27.450  3.7380 ?       ?      355.734 24.971 0.000000       24.97098 
1 1 1 8   6  22 o 395.613 24.362 33.957  4.0618 34.409  5.7778  33.515  5.7112 393.279 35.059 388.062 35.133 5.217682       49.63313 
1 1 1 8   6  23 o 121.024 38.246 3.2852  2.1941 3.6605  3.0972  2.9072  3.1086 130.492 45.559 122.235 45.258 8.256599       64.21753 
1 1 1 8   6  24 f 181.129 26.235 7.2875  1.9538 3.7622  3.3074  9.1771  2.4214 132.631 47.015 202.685 29.040 -70.05370      55.26037 
1 1 1 8   7  0  o 419.298 17.767 37.345  3.1549 41.008  5.3519  35.395  3.9056 437.279 29.066 407.166 22.741 30.11215       36.90527 
1 1 1 8   7  1  o 323.746 33.075 22.642  4.4710 0.0000  0.0000  22.642  4.4710 ?       ?      323.746 33.075 0.000000       33.07481 
1 1 1 8   7  2  o 857.076 18.968 156.009 6.8845 159.345 11.789  154.283 8.4808 863.763 32.229 851.640 23.515 12.12384       39.89555 
1 1 1 8   7  3  o 364.211 22.692 28.305  3.4827 27.524  4.7865  29.184  5.0769 357.773 31.926 368.319 32.894 -10.54590      45.84039 
1 1 1 8   7  4  o 382.050 18.553 30.980  3.0018 24.834  5.0335  34.373  3.7396 339.176 35.573 401.628 22.071 -62.45160      41.86331 
1 1 1 8   7  5  o 623.080 22.537 82.479  5.9468 89.400  8.4409  75.657  8.3797 647.770 30.770 594.663 33.410 53.10767       45.42023 
1 1 1 8   7  6  o 605.328 32.729 78.346  8.3589 0.0000  0.0000  78.346  8.3589 ?       ?      605.328 32.729 0.000000       32.72870 
1 1 1 8   7  7  o 524.471 18.452 58.375  4.0983 62.712  7.0942  56.203  5.0209 541.622 31.058 514.297 23.053 27.32495       38.67896 
1 1 1 8   7  8  o 922.700 19.628 180.757 7.6698 184.019 13.230  179.106 9.4130 928.589 33.643 917.837 24.217 10.75171       41.45229 
1 1 1 8   7  9  o 535.976 18.648 60.986  4.2327 55.253  7.1986  64.016  5.2328 507.584 33.680 548.801 22.515 -41.21622      40.51248 
1 1 1 8   7  10 o 450.974 18.761 43.188  3.5831 38.417  6.1376  45.654  4.4132 422.516 34.605 463.382 22.489 -40.86618      41.27042 
1 1 1 8   7  11 o 891.266 19.729 168.773 7.4466 155.018 12.730  175.928 9.1815 851.001 35.322 909.253 23.844 -58.25201      42.61682 
1 1 1 8   7  12 o 295.026 24.470 18.657  3.0297 20.007  4.2393  17.249  4.3316 304.036 33.480 281.259 37.285 22.77719       50.11058 
1 1 1 8   7  13 o 545.635 33.698 63.956  7.7486 0.0000  0.0000  63.956  7.7486 ?       ?      545.635 33.698 0.000000       33.69817 
1 1 1 8   7  14 o 517.974 19.001 57.025  4.1680 58.007  7.1819  56.526  5.1181 519.487 32.814 515.198 23.458 4.289673       40.33632 
1 1 1 8   7  15 o 451.214 19.886 43.324  3.8000 44.775  6.6657  42.625  4.6252 455.116 34.849 446.322 24.565 8.794220       42.63661 
1 1 1 8   7  16 o 349.222 20.507 26.077  3.0195 27.573  5.3542  25.380  3.6564 355.634 36.049 343.627 25.304 12.00705       44.04335 
1 1 1 8   7  17 o 403.569 19.966 34.732  3.4124 33.223  5.9309  35.479  4.1721 389.968 36.331 406.482 24.349 -16.51453      43.73535 
1 1 1 8   7  18 o 214.616 23.677 9.9782  2.1161 6.6466  3.5835  11.762  2.6221 170.708 47.716 232.463 27.146 -61.75502      54.89787 
1 1 1 8   7  19 f 191.302 32.562 8.1429  2.5435 7.5747  3.5345  8.7532  3.6629 181.348 45.963 195.122 45.213 -13.77393      64.47331 
1 1 1 8   7  20 o 246.372 37.408 13.628  3.7803 0.0000  0.0000  13.628  3.7803 ?       ?      246.372 37.408 0.000000       37.40760 
1 1 1 8   7  21 o 126.598 36.835 3.6217  2.0939 0.0000  0.0000  3.6217  2.0939 ?       ?      126.598 36.835 0.000000       36.83489 
1 1 1 8   7  22 o 385.886 20.550 32.101  3.3461 29.530  5.8218  33.369  4.0890 362.072 38.562 391.901 24.765 -29.82889      45.82910 
1 1 1 8   7  23 o 144.362 29.097 4.7202  1.7174 6.4782  3.1577  3.9817  2.0466 165.226 44.245 131.381 35.806 33.84480       56.91787 
1 1 1 8   7  24 o 175.547 28.440 6.9076  2.0419 8.7383  3.5918  6.0334  2.4820 191.437 45.054 161.090 37.143 30.34717       58.39048 
1 1 1 8   8  0  o 1033.80 19.331 227.116 8.4632 230.202 14.396  225.486 10.462 1037.31 32.772 1029.08 24.006 8.233765       40.62334 
1 1 1 8   8  1  o 517.518 31.436 57.411  6.8569 0.0000  0.0000  57.411  6.8569 ?       ?      517.518 31.436 0.000000       31.43563 
1 1 1 8   8  2  o 1293.76 20.942 355.671 11.474 377.069 19.695  344.679 14.117 1327.92 35.023 1272.35 26.199 55.57617       43.73788 
1 1 1 8   8  3  o 1193.91 25.081 303.222 12.681 308.009 17.749  298.230 18.125 1200.71 34.905 1181.08 36.237 19.62341       50.31345 
1 1 1 8   8  4  o 547.242 22.272 63.626  5.1615 64.540  7.2541  62.689  7.3458 549.384 31.309 541.271 32.192 8.112671       44.90574 
1 1 1 8   8  5  f 120.053 28.019 3.1904  1.3985 2.5666  2.3260  3.5436  1.7502 114.833 39.516 126.546 32.492 -11.71274      51.15853 
1 1 1 8   8  6  o 342.520 34.598 25.284  4.9497 0.0000  0.0000  25.284  4.9497 ?       ?      342.520 34.598 0.000000       34.59774 
1 1 1 8   8  7  o 402.214 18.717 34.336  3.1881 30.116  5.4535  36.526  3.9294 374.034 34.829 414.025 22.495 -39.99008      41.46196 
1 1 1 8   8  8  o 299.147 19.547 19.081  2.4628 17.278  4.2534  19.990  3.0206 282.049 36.463 305.763 23.507 -23.71405      43.38387 
1 1 1 8   8  9  o 814.824 19.261 140.986 6.6464 132.733 11.410  145.224 8.1767 788.211 34.184 826.428 23.363 -38.21613      41.40464 
1 1 1 8   8  10 o 281.840 20.532 16.967  2.4338 17.378  4.3990  16.786  2.9217 282.401 37.726 279.746 24.923 2.655029       45.21510 
1 1 1 8   8  11 o 803.463 19.456 137.153 6.6199 139.862 11.491  135.807 8.0989 808.684 33.553 798.822 23.941 9.861816       41.21851 
1 1 1 8   8  12 o 712.509 23.460 108.048 7.0788 110.328 10.014  105.770 10.008 718.215 32.923 703.073 33.613 15.14240       47.05077 
1 1 1 8   8  13 f 232.447 39.018 11.911  3.7048 0.0000  0.0000  11.911  3.7048 ?       ?      232.447 39.018 0.000000       39.01796 
1 1 1 8   8  14 o 347.890 19.779 25.817  2.9020 28.758  5.0241  24.344  3.5550 364.995 32.855 337.021 25.088 27.97421       41.33849 
1 1 1 8   8  15 o 672.591 19.514 96.262  5.5583 91.145  9.5465  98.887  6.8366 650.112 34.801 680.903 23.709 -30.79132      42.10944 
1 1 1 8   8  16 o 590.727 19.460 74.330  4.8683 65.088  8.3769  79.043  5.9823 547.654 36.325 608.406 23.218 -60.75220      43.11134 
1 1 1 8   8  17 o 708.674 19.770 107.103 5.9333 105.377 10.293  107.963 7.2611 697.742 34.835 710.274 24.140 -12.53278      42.38128 
1 1 1 8   8  18 o 663.075 19.667 93.834  5.5225 93.044  9.5625  94.230  6.7646 654.054 34.647 663.170 24.086 -9.116760      42.19685 
1 1 1 8   8  19 o 368.527 25.019 29.313  3.8815 24.791  5.3808  34.219  5.6045 334.280 38.727 395.348 33.800 -61.06802      51.40246 
1 1 1 8   8  20 o 336.442 35.686 25.106  5.0070 0.0000  0.0000  25.106  5.0070 ?       ?      336.442 35.686 0.000000       35.68638 
1 1 1 8   8  21 o 428.609 20.223 39.416  3.6707 46.112  6.4817  36.255  4.4537 457.181 33.716 408.596 25.872 48.58429       42.49826 
1 1 1 8   8  22 o 389.086 20.457 32.641  3.3589 35.682  5.8355  31.135  4.1075 400.272 34.771 377.974 25.816 22.29883       43.30636 
1 1 1 8   8  23 o 392.009 20.423 33.207  3.3788 30.642  5.8748  34.475  4.1303 367.382 38.324 397.636 24.649 -30.25339      45.56634 
1 1 1 8   8  24 o 344.793 21.069 25.752  3.0617 19.889  5.2144  28.837  3.7824 292.257 43.453 363.427 24.722 -71.16977      49.99320 
1 1 1 8   9  0  o 403.587 17.512 34.587  2.9931 33.357  5.0039  35.272  3.7349 394.122 30.210 406.681 21.765 -12.55899      37.23395 
1 1 1 8   9  1  o 537.661 31.051 61.912  7.0399 0.0000  0.0000  61.912  7.0399 ?       ?      537.661 31.051 0.000000       31.05053 
1 1 1 8   9  2  o 1113.90 19.858 263.534 9.3676 246.016 16.000  272.671 11.555 1072.73 35.219 1132.23 24.099 -59.49988      42.67488 
1 1 1 8   9  3  o 944.892 23.557 189.804 9.4265 198.640 13.193  180.587 13.474 964.954 32.283 919.555 34.600 45.39917       47.32192 
1 1 1 8   9  4  o 290.129 23.568 18.007  2.8707 17.511  4.0039  18.532  4.1180 284.504 33.899 292.810 33.832 -8.306702      47.89305 
1 1 1 8   9  5  o 443.828 22.758 41.960  4.2631 0.0000  0.0000  41.960  4.2631 ?       ?      443.828 22.758 0.000000       22.75755 
1 1 1 8   9  6  o 407.099 22.960 35.326  3.9423 34.542  5.4739  36.170  5.6824 401.209 32.496 410.533 32.962 -9.323730      46.28679 
1 1 1 8   9  7  o 470.770 18.700 47.041  3.7281 54.751  6.3591  43.002  4.6020 506.095 29.801 449.091 24.288 57.00378       38.44495 
1 1 1 8   9  8  o 928.098 19.641 182.903 7.7196 185.010 13.257  181.822 9.4956 930.908 33.627 924.672 24.249 6.236572       41.45827 
1 1 1 8   9  9  f 481.521 18.850 49.233  3.8439 53.767  6.6577  46.966  4.7078 500.977 31.542 469.324 23.764 31.65359       39.49218 
1 1 1 8   9  10 o 724.624 19.179 111.532 5.8854 116.756 10.215  108.936 7.2007 739.219 32.631 715.544 23.762 23.67517       40.36605 
1 1 1 8   9  11 o 179.259 24.700 6.9685  1.8253 11.216  3.3443  5.1664  2.1784 226.099 36.144 152.404 34.548 73.69434       49.99998 
1 1 1 8   9  12 o 1536.04 28.155 503.329 18.315 512.240 25.855  494.355 25.947 1544.02 39.542 1516.33 40.406 27.68030       56.53530 
1 1 1 8   9  13 o 349.242 35.182 26.396  5.1326 0.0000  0.0000  26.396  5.1326 ?       ?      349.242 35.182 0.000000       35.18204 
1 1 1 8   9  14 o 630.752 19.355 84.593  5.1701 81.764  8.9174  86.026  6.3455 616.466 34.293 635.434 23.580 -18.96790      41.61780 
1 1 1 8   9  15 o 837.124 19.922 149.181 7.0626 149.695 12.208  148.923 8.6586 834.109 34.561 835.264 24.478 -1.155579      42.35114 
1 1 1 8   9  16 o 474.485 19.692 47.971  3.9568 39.155  6.6974  52.698  4.9043 423.603 37.729 496.692 23.315 -73.08899      44.35152 
1 1 1 8   9  17 o 241.943 22.779 12.623  2.3065 12.463  4.0236  12.701  2.8149 235.572 41.865 241.587 28.035 -6.015594      50.38531 
1 1 1 8   9  18 o 298.115 21.359 19.092  2.6786 26.756  4.7607  15.542  3.2402 350.232 32.467 267.070 29.120 83.16278       43.61273 
1 1 1 8   9  19 o 465.897 24.695 46.772  4.8550 46.923  6.8960  46.624  6.8365 462.436 35.483 461.042 35.282 1.394440       50.03923 
1 1 1 8   9  20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   9  21 o 66.251  28.083 0.0905  1.3659 1.5193  2.4798  -0.5317 1.6365 101.643 39.739 65.857  29.269 35.78645       49.35500 
1 1 1 8   9  22 o 499.008 19.936 53.530  4.2129 53.535  7.3168  53.528  5.1528 490.021 35.499 497.108 24.477 -7.087524      43.11937 
1 1 1 8   9  23 o 299.389 21.460 19.453  2.7028 12.857  4.5041  23.165  3.3787 231.970 47.449 325.601 24.687 -93.63173      53.48693 
1 1 1 8   10 0  f 1287.01 20.455 352.022 11.149 364.996 18.899  345.097 13.807 1306.24 34.164 1272.96 25.611 33.27539       42.69809 
1 1 1 8   10 1  o 1108.14 24.288 261.263 11.398 0.0000  0.0000  261.263 11.398 ?       ?      1108.14 24.288 0.000000       24.28831 
1 1 1 8   10 2  o 858.765 18.606 156.565 6.7667 146.049 11.467  162.184 8.3816 827.167 32.734 873.488 22.658 -46.32056      39.81125 
1 1 1 8   10 3  o 527.843 21.807 59.193  4.8748 55.897  6.7892  62.700  7.0037 511.062 31.523 541.529 30.665 -30.46683      43.97803 
1 1 1 8   10 4  o 1133.47 24.484 273.136 11.753 256.479 16.480  290.374 16.765 1095.94 35.508 1166.54 33.937 -70.59521      49.11775 
1 1 1 8   10 5  f 530.112 22.694 59.707  5.0946 0.0000  0.0000  59.707  5.0946 ?       ?      530.112 22.694 0.000000       22.69357 
1 1 1 8   10 6  o 504.522 22.687 54.084  4.8474 61.260  6.7966  46.656  6.9154 535.417 30.097 466.160 35.291 69.25668       46.38227 
1 1 1 8   10 7  o 1162.22 20.496 286.864 10.088 286.625 17.325  286.987 12.408 1158.38 35.316 1161.59 25.224 -3.212891      43.39919 
1 1 1 8   10 8  o 670.797 18.806 95.532  5.3422 96.059  9.1547  95.259  6.5784 670.930 32.220 669.377 23.206 1.552856       39.70712 
1 1 1 8   10 9  o 700.153 19.074 104.107 5.6556 109.536 9.7447  101.350 6.9450 716.238 32.127 690.258 23.758 25.97992       39.95737 
1 1 1 8   10 10 o 465.492 19.079 46.028  3.7611 37.746  6.4465  50.301  4.6310 418.191 36.774 486.322 22.486 -68.13074      43.10382 
1 1 1 8   10 11 o 363.178 19.713 28.111  3.0206 25.470  5.2200  29.441  3.7037 342.843 36.515 371.173 23.686 -28.32999      43.52401 
1 1 1 8   10 12 o 819.799 23.980 143.090 8.3253 154.701 11.761  131.426 11.787 850.429 32.655 783.119 35.541 67.30981       48.26491 
1 1 1 8   10 13 o 272.910 39.614 16.337  4.4446 0.0000  0.0000  16.337  4.4446 ?       ?      272.910 39.614 0.000000       39.61353 
1 1 1 8   10 14 o 570.289 19.409 69.166  4.6876 68.414  7.9846  69.562  5.7906 563.780 33.595 571.273 23.935 -7.492737      41.24936 
1 1 1 8   10 15 o 505.915 19.659 54.491  4.2120 52.169  7.2028  55.698  5.1924 491.007 34.866 510.808 24.003 -19.80118      42.32958 
1 1 1 8   10 16 o 335.225 20.132 24.041  2.8448 26.614  4.9325  22.759  3.4823 349.681 33.727 325.110 25.497 24.57019       42.27984 
1 1 1 8   10 17 o 574.082 19.606 70.302  4.7665 58.277  8.0805  76.719  5.9028 516.544 37.188 598.810 23.277 -82.26550      43.87206 
1 1 1 8   10 18 o 210.245 23.493 9.5839  2.0560 11.397  3.5725  8.6860  2.5141 225.485 38.812 198.294 30.949 27.19127       49.64103 
1 1 1 8   10 19 o 575.576 24.261 71.202  5.9136 74.379  8.3131  67.948  8.4139 583.345 33.796 556.357 35.903 26.98804       49.30655 
1 1 1 8   10 20 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   10 21 o 167.673 27.387 6.2488  1.8776 6.0347  3.4501  6.3389  2.2380 160.894 47.417 167.388 32.744 -6.494446      57.62413 
1 1 1 8   10 22 o 526.537 19.621 59.600  4.3752 53.924  7.5497  62.470  5.3685 490.647 36.598 537.269 23.595 -46.62207      43.54439 
1 1 1 8   10 23 o 163.842 27.385 6.0139  1.8330 6.0111  3.1227  6.0153  2.2642 159.043 44.573 161.707 34.135 -2.663345      56.14224 
1 1 1 8   11 0  o 772.691 21.641 126.918 7.0816 132.439 9.7634  120.789 10.287 788.047 29.255 752.002 32.302 36.04553       43.58056 
1 1 1 8   11 1  o 1085.06 24.119 250.437 11.083 0.0000  0.0000  250.437 11.083 ?       ?      1085.06 24.119 0.000000       24.11937 
1 1 1 8   11 2  o 1346.20 20.960 384.969 11.950 395.392 20.348  379.482 14.763 1360.29 35.323 1335.39 26.106 24.90283       43.92249 
1 1 1 8   11 3  o 526.375 21.622 58.858  4.8199 57.699  6.7065  60.097  6.9317 519.437 30.623 530.091 31.013 -10.65381      43.58396 
1 1 1 8   11 4  o 660.610 18.187 92.612  5.0880 95.833  8.6408  90.902  6.2951 670.667 30.423 654.078 22.726 16.58820       37.97429 
1 1 1 8   11 5  o 912.053 33.501 177.467 12.940 0.0000  0.0000  177.467 12.940 ?       ?      912.053 33.501 0.000000       33.50088 
1 1 1 8   11 6  o 657.268 18.408 91.688  5.1238 94.105  8.7740  90.437  6.3119 664.428 31.182 652.359 22.847 12.06952       38.65630 
1 1 1 8   11 7  o 554.936 18.429 65.368  4.3311 68.437  7.4075  63.774  5.3388 565.710 31.038 547.752 23.015 17.95856       38.64029 
1 1 1 8   11 8  o 632.894 18.728 85.046  5.0196 82.065  8.5746  86.601  6.1914 619.119 32.821 638.222 22.907 -19.10321      40.02428 
1 1 1 8   11 9  o 706.935 19.003 106.142 5.6892 109.210 9.8112  104.588 6.9831 715.023 32.401 701.177 23.517 13.84583       40.03575 
1 1 1 8   11 10 o 1016.74 20.086 219.684 8.6485 209.326 14.834  225.017 10.645 988.725 35.427 1028.11 24.449 -39.38727      43.04409 
1 1 1 8   11 11 o 504.670 23.220 54.205  4.9627 50.764  6.9401  57.805  7.0992 485.847 33.944 518.921 32.468 -33.07397      46.97177 
1 1 1 8   11 12 o 853.939 19.598 154.984 7.0873 162.601 12.255  151.156 8.6876 871.645 33.198 842.474 24.350 29.17151       41.17121 
1 1 1 8   11 13 o 307.920 38.247 20.679  4.8800 0.0000  0.0000  20.679  4.8800 ?       ?      307.920 38.247 0.000000       38.24665 
1 1 1 8   11 14 o 796.320 19.676 134.905 6.6355 130.228 11.371  137.320 8.1711 778.626 34.484 802.491 24.043 -23.86517      42.03864 
1 1 1 8   11 15 o 793.889 19.759 134.223 6.6432 138.651 11.372  131.928 8.1851 802.603 33.456 785.840 24.595 16.76312       41.52397 
1 1 1 8   11 16 o 630.159 19.583 84.646  5.2260 86.022  8.9585  83.936  6.4342 630.332 33.682 626.402 24.255 3.930481       41.50629 
1 1 1 8   11 17 o 429.010 19.945 39.279  3.6236 36.840  6.1795  40.558  4.4734 410.444 35.913 434.429 24.414 -23.98450      43.42559 
1 1 1 8   11 18 o 206.104 23.447 9.2170  2.0101 5.1792  3.3698  11.447  2.5044 152.389 47.283 229.341 26.259 -76.95258      54.08561 
1 1 1 8   11 19 o 667.971 24.153 95.948  6.8322 103.162 9.6206  88.609  9.7044 688.058 33.017 634.932 36.241 53.12634       49.02587 
1 1 1 8   11 20 o 256.851 41.142 15.026  4.3242 0.0000  0.0000  15.026  4.3242 ?       ?      256.851 41.142 0.000000       41.14243 
1 1 1 8   11 21 o 681.585 19.951 99.721  5.7588 98.744  9.9402  100.215 7.0653 667.867 35.270 680.927 24.501 -13.06055      42.94509 
1 1 1 8   11 22 o 340.129 20.353 24.995  2.9182 19.767  4.9261  27.822  3.6222 293.545 40.723 357.524 24.063 -63.97946      47.30147 
1 1 1 8   11 23 o 308.755 26.148 20.938  3.3869 22.708  4.9294  19.356  4.6614 315.822 37.595 290.637 38.844 25.18497       54.05778 
1 1 1 8   12 0  o 623.433 30.552 82.915  8.0662 0.0000  0.0000  82.915  8.0662 ?       ?      623.433 30.552 0.000000       30.55184 
1 1 1 8   12 1  o 1305.45 36.029 364.401 19.918 0.0000  0.0000  364.401 19.918 ?       ?      1305.45 36.029 0.000000       36.02887 
1 1 1 8   12 2  o 600.103 21.285 76.501  5.4093 66.232  7.4362  88.040  7.8833 556.408 31.689 642.897 28.955 -86.48883      42.92546 
1 1 1 8   12 3  o 587.294 21.560 73.268  5.3623 71.577  7.4131  75.123  7.7659 578.794 30.349 592.874 31.038 -14.07941      43.41052 
1 1 1 8   12 4  o 1305.22 25.805 362.350 14.264 0.0000  0.0000  362.350 14.264 ?       ?      1305.22 25.805 0.000000       25.80528 
1 1 1 8   12 5  o 579.020 30.791 71.649  7.5232 71.649  7.5232  0.0000  0.0000 579.020 30.791 ?       ?      0.000000       30.79146 
1 1 1 8   12 6  f 496.597 18.193 52.341  3.8261 52.686  6.5641  52.163  4.7088 496.109 31.405 495.450 22.442 0.6587830      38.59955 
1 1 1 8   12 7  o 926.296 19.321 182.191 7.5790 173.834 12.979  186.515 9.3360 902.173 33.972 936.590 23.538 -34.41705      41.32947 
1 1 1 8   12 8  o 795.656 19.005 134.439 6.4037 138.992 10.993  132.101 7.8784 806.834 32.173 788.086 23.606 18.74756       39.90400 
1 1 1 8   12 9  o 553.830 18.640 65.144  4.3719 60.833  7.4211  67.435  5.4105 532.480 33.073 563.078 22.689 -30.59796      40.10790 
1 1 1 8   12 10 o 616.429 18.839 80.723  4.9179 81.406  8.4199  80.369  6.0587 616.248 32.377 614.550 23.280 1.698364       39.87735 
1 1 1 8   12 11 o 512.377 23.113 55.876  5.0153 57.138  7.0182  54.558  7.1697 515.899 32.286 503.736 33.805 12.16306       46.74523 
1 1 1 8   12 12 o 690.390 33.986 102.085 9.9367 0.0000  0.0000  102.085 9.9367 ?       ?      690.390 33.986 0.000000       33.98621 
1 1 1 8   12 13 f 602.616 19.228 77.202  4.9070 77.230  8.3808  77.187  6.0531 599.498 33.139 601.930 23.746 -2.431824      40.76861 
1 1 1 8   12 14 o 237.643 23.418 12.156  2.3261 14.930  3.9091  10.635  2.8944 260.960 36.359 220.489 31.927 40.47145       48.38708 
1 1 1 8   12 15 o 364.701 20.316 28.430  3.1253 31.786  5.3271  26.668  3.8593 382.835 33.186 352.105 26.067 30.73056       42.19937 
1 1 1 8   12 16 o 658.438 19.570 92.437  5.4571 88.351  9.2791  94.598  6.7472 638.250 34.457 664.946 23.960 -26.69604      41.96918 
1 1 1 8   12 17 o 693.813 19.656 102.735 5.7754 106.200 9.9124  100.954 7.1061 700.242 33.426 686.301 24.450 13.94110       41.41386 
1 1 1 8   12 18 o 217.744 22.678 10.264  2.0605 9.6684  3.4862  10.583  2.5545 206.337 41.336 219.902 28.071 -13.56459      49.96666 
1 1 1 8   12 19 o 133.123 42.262 3.9123  2.6766 3.9123  2.6766  0.0000  0.0000 133.123 42.262 ?       ?      0.000000       42.26207 
1 1 1 8   12 20 o 84.345  37.469 -0.7529 2.6789 0.0000  0.0000  -0.7529 2.6789 ?       ?      84.345  37.469 0.000000       37.46916 
1 1 1 8   12 21 o 194.822 25.184 8.3444  2.0292 8.6632  3.5941  8.1952  2.4585 191.979 44.992 191.143 31.467 0.8354492      54.90388 
1 1 1 8   12 22 o 309.927 26.327 21.071  3.4227 23.237  4.8107  18.849  4.8707 320.923 36.019 285.871 41.441 35.05173       54.90624 
1 1 1 8   12 23 o 147.536 34.016 5.0273  2.0818 5.5720  2.9212  4.4652  2.9676 153.393 43.155 139.133 44.535 14.26035       62.01384 
1 1 1 8   13 0  o 342.956 28.925 25.241  4.1619 25.241  4.1619  0.0000  0.0000 342.956 28.925 ?       ?      0.000000       28.92537 
1 1 1 8   13 1  o 708.492 21.268 106.640 6.3812 100.323 8.7685  113.752 9.3039 686.040 30.181 730.533 30.073 -44.49353      42.60626 
1 1 1 8   13 2  o 529.525 28.957 59.899  6.4689 59.899  6.4689  0.0000  0.0000 529.525 28.957 ?       ?      0.000000       28.95670 
1 1 1 8   13 3  o 949.201 31.733 192.098 12.756 192.098 12.756  0.0000  0.0000 949.201 31.733 ?       ?      0.000000       31.73277 
1 1 1 8   13 4  o 1039.90 34.036 230.809 14.989 0.0000  0.0000  230.809 14.989 ?       ?      1039.90 34.036 0.000000       34.03621 
1 1 1 8   13 5  o 648.699 22.106 89.411  6.0729 98.285  8.4195  79.787  8.7679 679.253 29.269 610.432 34.052 68.82092       44.90261 
1 1 1 8   13 6  o 1126.21 20.047 269.359 9.5612 272.327 16.301  267.802 11.805 1129.26 34.086 1122.07 24.843 7.195435       42.17850 
1 1 1 8   13 7  o 474.530 18.243 47.804  3.6660 47.851  6.1659  47.778  4.5594 472.625 30.978 474.066 22.710 -1.441040      38.41068 
1 1 1 8   13 8  o 1126.48 20.294 269.623 9.6814 256.670 16.558  276.352 11.934 1095.16 35.701 1139.50 24.730 -44.34619      43.42988 
1 1 1 8   13 9  o 760.664 18.888 122.910 6.0844 127.590 10.448  120.508 7.4844 772.724 31.928 752.540 23.485 20.18427       39.63523 
1 1 1 8   13 10 o 668.884 18.788 95.053  5.3219 89.241  8.9883  98.191  6.6040 645.047 33.014 679.276 22.957 -34.22864      40.21153 
1 1 1 8   13 11 o 749.931 23.279 119.719 7.3932 108.786 10.397  130.901 10.515 712.627 34.451 782.396 31.735 -69.76984      46.83999 
1 1 1 8   13 12 f 489.143 34.282 51.512  7.0566 0.0000  0.0000  51.512  7.0566 ?       ?      489.143 34.282 0.000000       34.28237 
1 1 1 8   13 13 o 564.273 19.127 67.700  4.5707 70.708  7.8451  66.155  5.6238 573.573 32.430 557.160 23.834 16.41339       40.24663 
1 1 1 8   13 14 o 368.315 20.004 28.964  3.1084 31.858  5.3121  27.457  3.8332 383.710 33.012 357.646 25.475 26.06412       41.69825 
1 1 1 8   13 15 o 788.177 19.604 132.365 6.5436 136.035 11.229  130.477 8.0521 794.351 33.380 781.224 24.338 13.12677       41.31099 
1 1 1 8   13 16 o 299.838 21.364 19.295  2.6951 20.816  4.5339  18.464  3.3514 308.046 35.398 291.996 27.424 16.05011       44.77815 
1 1 1 8   13 17 o 645.711 19.537 88.997  5.3425 84.170  9.1719  91.476  6.5727 621.591 34.985 653.394 23.753 -31.80255      42.28656 
1 1 1 8   13 18 o 206.511 29.421 9.3900  2.5003 8.2923  3.4672  10.579  3.6091 189.987 43.964 216.016 40.950 -26.02925      60.08152 
1 1 1 8   13 19 o 216.874 28.853 10.367  2.5842 10.673  3.6235  10.051  3.6867 216.079 41.099 208.844 43.113 7.235046       59.56408 
1 1 1 8   13 20 o 220.462 44.303 11.292  3.9928 0.0000  0.0000  11.292  3.9928 ?       ?      220.462 44.303 0.000000       44.30322 
1 1 1 8   13 21 o 171.204 26.416 6.5021  1.8536 6.4019  3.1090  6.5574  2.3088 165.152 43.753 169.893 33.281 -4.740494      54.97238 
1 1 1 8   13 22 o 185.517 30.823 7.7646  2.3367 8.9036  3.1628  6.3957  3.4673 195.511 39.557 163.557 47.345 31.95410       61.69556 
1 1 1 8   13 23 o 115.265 35.196 3.0066  1.8757 3.1819  2.7821  2.8606  2.5398 122.458 43.151 116.870 41.223 5.588127       59.67731 
1 1 1 8   14 0  o 448.043 28.220 42.925  5.3271 42.925  5.3271  0.0000  0.0000 448.043 28.220 ?       ?      0.000000       28.21989 
1 1 1 8   14 1  o 263.332 21.803 14.834  2.4096 13.472  3.3428  16.306  3.4764 249.247 32.438 274.951 30.363 -25.70430      44.43103 
1 1 1 8   14 2  o 863.913 30.386 159.062 11.117 159.062 11.117  0.0000  0.0000 863.913 30.386 ?       ?      0.000000       30.38555 
1 1 1 8   14 3  o 990.270 33.316 209.251 13.972 0.0000  0.0000  209.251 13.972 ?       ?      990.270 33.316 0.000000       33.31580 
1 1 1 8   14 4  o 1043.03 23.380 231.246 10.327 228.532 14.306  234.199 14.923 1035.01 32.639 1047.52 33.639 -12.51025      46.87086 
1 1 1 8   14 5  f 391.200 21.941 32.620  3.6203 33.244  5.0325  31.950  5.2120 393.757 30.415 385.677 32.206 8.080658       44.29775 
1 1 1 8   14 6  o 686.682 22.238 100.221 6.4670 101.119 8.9898  99.258  9.3099 688.561 30.829 681.965 32.236 6.595886       44.60499 
1 1 1 8   14 7  o 482.035 18.112 49.332  3.6974 42.832  6.2287  52.868  4.5945 446.566 33.173 498.720 21.754 -52.15369      39.66926 
1 1 1 8   14 8  f 936.846 19.326 186.451 7.6675 177.522 13.062  191.145 9.4710 911.080 33.854 947.811 23.596 -36.73016      41.26522 
1 1 1 8   14 9  o 724.476 18.799 111.502 5.7676 116.874 9.8155  108.669 7.1280 739.578 31.339 714.548 23.555 25.03040       39.20454 
1 1 1 8   14 10 o 930.289 19.593 183.939 7.7188 164.770 13.164  193.982 9.5287 876.767 35.454 954.552 23.572 -77.78436      42.57506 
1 1 1 8   14 11 o 1168.73 25.259 291.079 12.502 282.724 17.601  299.586 17.761 1148.00 36.204 1182.04 35.480 -34.04321      50.69070 
1 1 1 8   14 12 o 618.753 33.994 82.295  8.8735 0.0000  0.0000  82.295  8.8735 ?       ?      618.753 33.994 0.000000       33.99392 
1 1 1 8   14 13 o 514.924 19.114 56.389  4.1681 55.110  7.1121  57.058  5.1441 505.737 33.395 517.397 23.477 -11.65948      40.82153 
1 1 1 8   14 14 o 179.792 26.047 7.0508  1.9254 2.7293  3.2943  9.2931  2.3730 125.518 46.567 206.546 27.838 -81.02760      54.25348 
1 1 1 8   14 15 o 620.295 19.178 81.985  5.0377 77.088  8.6646  84.485  6.1918 596.416 34.452 628.760 23.254 -32.34406      41.56497 
1 1 1 8   14 16 o 687.701 19.493 100.891 5.6769 98.988  9.6413  101.900 7.0235 676.222 33.667 689.799 24.043 -13.57721      41.37048 
1 1 1 8   14 17 o 490.324 19.690 51.338  4.0885 50.713  6.8881  51.678  5.0802 482.258 33.943 490.832 24.440 -8.574219      41.82683 
1 1 1 8   14 18 o 243.081 27.965 12.915  2.8263 14.441  3.9009  11.230  4.1006 254.313 37.331 221.059 45.324 33.25397       58.71889 
1 1 1 8   14 19 o 361.835 36.993 29.151  5.5889 0.0000  0.0000  29.151  5.5889 ?       ?      361.835 36.993 0.000000       36.99324 
1 1 1 8   14 20 o 266.516 27.312 15.572  3.0391 0.0000  0.0000  15.572  3.0391 ?       ?      266.516 27.312 0.000000       27.31222 
1 1 1 8   14 21 o 228.163 22.437 11.339  2.1399 6.4037  3.5845  14.072  2.6674 164.459 48.293 253.547 25.175 -89.08742      54.46094 
1 1 1 8   14 22 o 316.219 26.054 21.953  3.4579 20.517  4.7409  23.585  5.0546 299.657 38.230 321.777 37.814 -22.11990      53.77199 
1 1 1 8   14 23 o 201.192 29.508 9.0809  2.4395 11.532  3.4376  6.5948  3.4623 223.651 37.631 165.477 47.132 58.17397       60.31192 
1 1 1 8   15 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   15 1  o 645.724 28.663 88.810  7.8382 88.810  7.8382  0.0000  0.0000 645.724 28.663 ?       ?      0.000000       28.66310 
1 1 1 8   15 2  o 662.491 21.108 93.227  5.9221 92.495  8.1629  94.040  8.6048 658.933 29.252 664.227 30.590 -5.293701      42.32555 
1 1 1 8   15 3  o 288.556 32.706 17.988  3.9262 0.0000  0.0000  17.988  3.9262 ?       ?      288.556 32.706 0.000000       32.70630 
1 1 1 8   15 4  o 631.024 21.342 84.595  5.7033 79.890  7.8065  89.980  8.3525 612.225 30.109 649.701 30.357 -37.47662      42.75653 
1 1 1 8   15 5  o 193.036 25.905 8.0701  2.0643 7.0532  2.8088  9.2645  3.0440 178.177 38.359 205.182 36.363 -27.00537      52.85518 
1 1 1 8   15 6  f 436.748 21.684 40.542  4.0106 43.433  5.5681  37.424  5.7817 450.421 29.351 417.330 32.983 33.09149       44.15141 
1 1 1 8   15 7  o 583.197 22.081 72.317  5.4534 70.910  7.5269  73.872  7.9121 575.528 30.996 587.262 31.934 -11.73486      44.50335 
1 1 1 8   15 8  o 962.906 23.646 197.326 9.6422 196.175 13.385  198.567 13.901 957.800 33.000 963.309 34.076 -5.508484      47.43613 
1 1 1 8   15 9  o 282.857 20.188 17.093  2.4023 18.068  3.9869  16.537  3.0101 288.746 33.209 277.383 25.925 11.36264       42.13072 
1 1 1 8   15 10 o 470.476 31.887 47.557  6.3157 47.557  6.3157  0.0000  0.0000 470.476 31.887 ?       ?      0.000000       31.88679 
1 1 1 8   15 11 o 788.959 19.107 132.297 6.3839 118.437 10.825  139.688 7.9049 743.383 34.385 810.010 23.044 -66.62683      41.39267 
1 1 1 8   15 12 o 639.672 23.478 87.168  6.3600 0.0000  0.0000  87.168  6.3600 ?       ?      639.672 23.478 0.000000       23.47789 
1 1 1 8   15 13 o 180.455 27.135 7.1106  2.0095 4.6809  3.2933  8.5518  2.5363 147.590 46.881 197.379 31.395 -49.78891      56.42216 
1 1 1 8   15 14 o 525.294 19.117 58.756  4.2528 62.358  7.1916  56.819  5.2737 537.638 31.726 515.706 24.147 21.93182       39.87052 
1 1 1 8   15 15 o 480.176 19.198 49.147  3.9038 50.059  6.6888  48.675  4.8075 480.430 33.077 477.022 23.798 3.408051       40.74861 
1 1 1 8   15 16 o 523.832 19.336 58.548  4.2896 57.504  7.2780  59.104  5.3099 514.185 33.608 525.267 23.870 -11.08228      41.22242 
1 1 1 8   15 17 o 577.347 19.379 71.183  4.7382 73.317  8.1269  70.084  5.8319 580.327 33.206 571.556 24.094 8.771179       41.02613 
1 1 1 8   15 18 o 149.023 34.639 5.0374  2.1445 6.8697  3.0095  3.1473  3.0566 172.883 41.608 126.308 45.152 46.57478       61.39952 
1 1 1 8   15 19 o 204.899 43.953 9.7559  3.6996 0.0000  0.0000  9.7559  3.6996 ?       ?      204.899 43.953 0.000000       43.95262 
1 1 1 8   15 20 o 311.373 26.971 21.200  3.5213 0.0000  0.0000  21.200  3.5213 ?       ?      311.373 26.971 0.000000       26.97085 
1 1 1 8   15 21 o 393.429 20.384 33.413  3.3846 35.565  5.7710  32.284  4.1787 399.034 34.489 384.507 25.812 14.52664       43.07887 
1 1 1 8   15 22 o 200.505 31.231 9.0750  2.5655 13.082  3.6556  5.1859  3.6014 238.667 37.396 149.137 49.160 89.52939       61.76706 
1 1 1 8   15 23 o 300.348 25.904 19.833  3.2626 20.156  4.6477  19.519  4.5810 296.831 37.834 291.983 37.945 4.847687       53.58336 
1 1 1 8   16 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   16 1  o 459.856 28.637 45.213  5.5493 45.213  5.5493  0.0000  0.0000 459.856 28.637 ?       ?      0.000000       28.63741 
1 1 1 8   16 2  o 575.577 30.360 70.811  7.3742 0.0000  0.0000  70.811  7.3742 ?       ?      575.577 30.360 0.000000       30.36037 
1 1 1 8   16 3  o 832.701 21.904 147.340 7.7243 147.932 10.657  146.684 11.212 833.055 30.208 829.211 31.927 3.843628       43.95295 
1 1 1 8   16 4  o 697.043 21.470 103.241 6.3378 102.423 8.7265  104.154 9.2197 693.166 29.728 698.771 31.156 -5.604492      43.06303 
1 1 1 8   16 5  o 507.547 21.277 54.742  4.5732 57.811  6.3046  51.334  6.6438 520.038 28.739 489.327 32.241 30.71097       43.19033 
1 1 1 8   16 6  o 511.730 21.482 55.664  4.6554 53.664  6.4038  57.906  6.7799 500.595 30.350 519.964 30.929 -19.36853      43.33303 
1 1 1 8   16 7  o 294.773 23.107 18.598  2.8615 18.097  3.9149  19.174  4.1928 289.207 32.529 297.535 33.880 -8.328796      46.96812 
1 1 1 8   16 8  o 849.010 22.921 153.389 8.2412 148.091 11.382  159.228 11.949 832.193 32.295 862.810 32.701 -30.61658      45.96016 
1 1 1 8   16 9  o 194.816 29.075 8.2775  2.3253 7.8304  3.1434  8.8179  3.4558 187.241 40.795 198.659 42.370 -11.41733      58.81693 
1 1 1 8   16 10 o 795.996 32.158 135.585 10.840 135.585 10.840  0.0000  0.0000 795.996 32.158 ?       ?      0.000000       32.15806 
1 1 1 8   16 11 f 654.153 33.345 91.907  9.2068 0.0000  0.0000  91.907  9.2068 ?       ?      654.153 33.345 0.000000       33.34480 
1 1 1 8   16 12 o 739.483 19.049 116.279 5.9654 118.862 10.125  114.906 7.3829 744.773 32.102 734.250 23.743 10.52307       39.92819 
1 1 1 8   16 13 o 203.579 24.249 8.9686  2.0495 10.670  3.5495  8.1177  2.5102 218.925 39.749 191.986 32.001 26.93912       51.03025 
1 1 1 8   16 14 o 139.523 29.647 4.3357  1.6977 2.1140  2.7628  5.6837  2.1520 113.068 42.508 159.601 32.931 -46.53220      53.77137 
1 1 1 8   16 15 o 449.860 19.352 43.157  3.6868 43.384  6.2406  43.036  4.5694 446.820 33.218 447.707 24.190 -0.8870239     41.09237 
1 1 1 8   16 16 o 412.360 19.799 36.307  3.4575 33.196  5.8044  38.018  4.3045 389.210 35.610 420.412 24.280 -31.20245      43.09991 
1 1 1 8   16 17 o 166.328 27.984 6.1206  1.9012 2.6600  3.0703  8.2727  2.4212 121.429 44.975 193.313 30.594 -71.88467      54.39403 
1 1 1 8   16 18 o 501.535 33.448 55.180  7.0635 55.180  7.0635  0.0000  0.0000 501.535 33.448 ?       ?      0.000000       33.44825 
1 1 1 8   16 19 o 398.401 25.030 34.447  4.2016 0.0000  0.0000  34.447  4.2016 ?       ?      398.401 25.030 0.000000       25.02992 
1 1 1 8   16 20 o 476.527 19.678 48.762  3.9710 45.413  6.6459  50.621  4.9523 451.953 34.996 483.817 24.170 -31.86353      42.53123 
1 1 1 8   16 21 o 122.854 32.499 3.4589  1.7170 7.4728  2.8988  1.2896  2.1310 178.950 39.324 93.757  36.787 85.19298       53.84852 
1 1 1 8   16 22 o 434.261 20.071 40.693  3.6911 39.938  6.1777  41.112  4.6031 421.094 34.958 433.509 25.181 -12.41528      43.08339 
1 1 1 8   17 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   17 1  o 462.643 30.447 45.827  5.9320 0.0000  0.0000  45.827  5.9320 ?       ?      462.643 30.447 0.000000       30.44686 
1 1 1 8   17 2  o 1155.95 33.990 285.379 16.639 0.0000  0.0000  285.379 16.639 ?       ?      1155.95 33.990 0.000000       33.98992 
1 1 1 8   17 3  o 197.635 25.406 8.4466  2.0772 10.685  2.9540  6.2578  2.9214 221.449 32.463 167.542 41.411 53.90732       52.61840 
1 1 1 8   17 4  o 672.249 21.252 96.034  6.0501 97.297  8.3420  94.633  8.7877 675.592 29.157 665.963 31.159 9.628601       42.67330 
1 1 1 8   17 5  o 560.581 21.224 66.790  5.0385 62.145  6.9142  72.050  7.3574 538.837 30.424 580.390 30.036 -41.55310      42.75308 
1 1 1 8   17 6  o 463.875 21.478 45.749  4.2193 42.810  5.7533  49.169  6.2065 446.776 30.592 478.921 30.764 -32.14459      43.38535 
1 1 1 8   17 7  o 406.830 22.074 35.308  3.7888 35.529  5.1545  35.049  5.5882 406.810 30.133 403.489 32.993 3.320801       44.68253 
1 1 1 8   17 8  o 639.224 22.070 86.936  5.9745 85.309  8.2794  88.704  8.6301 631.759 30.946 644.069 31.640 -12.31006      44.25774 
1 1 1 8   17 9  f 319.099 32.652 22.016  4.3502 22.016  4.3502  0.0000  0.0000 319.099 32.652 ?       ?      0.000000       32.65151 
1 1 1 8   17 10 o 896.220 23.435 171.057 8.8944 173.736 12.371  168.191 12.797 900.849 32.428 885.842 34.111 15.00714       47.06548 
1 1 1 8   17 11 o 833.837 33.620 149.065 11.872 0.0000  0.0000  149.065 11.872 ?       ?      833.837 33.620 0.000000       33.61962 
1 1 1 8   17 12 o 517.223 18.837 56.896  4.1260 64.893  7.0368  52.707  5.0933 549.642 30.349 497.107 24.194 52.53549       38.81236 
1 1 1 8   17 13 o 314.411 20.237 21.145  2.6802 19.726  4.5290  21.909  3.3249 300.230 36.362 319.282 24.784 -19.05252      44.00556 
1 1 1 8   17 14 f 90.593  31.556 1.5874  1.4855 -0.0000 2.5794  2.3751  1.8170 89.569  38.298 106.677 34.907 -17.10752      51.81890 
1 1 1 8   17 15 o 236.856 22.439 12.103  2.2239 10.449  3.9239  12.886  2.6994 214.228 44.697 243.583 26.600 -29.35442      52.01311 
1 1 1 8   17 16 o 433.397 19.287 40.103  3.5400 44.501  6.0914  37.860  4.3500 452.244 32.012 419.332 24.603 32.91187       40.37458 
1 1 1 8   17 17 o 345.963 24.278 25.840  3.5345 27.188  4.9056  24.385  5.0968 352.010 33.303 331.893 36.886 20.11630       49.69620 
1 1 1 8   17 18 f 119.209 36.198 3.1612  1.9880 5.4678  2.7760  0.7328  2.8483 154.017 41.587 99.150  41.188 54.86726       58.53116 
1 1 1 8   17 19 o 161.656 45.243 6.1143  3.2195 0.0000  0.0000  6.1143  3.2195 ?       ?      161.656 45.243 0.000000       45.24325 
1 1 1 8   17 20 o 361.920 20.449 28.262  3.1214 26.806  5.3320  29.022  3.8500 345.234 37.049 365.081 25.054 -19.84668      44.72475 
1 1 1 8   17 21 o 280.172 21.471 17.058  2.5281 17.510  4.2469  16.809  3.1463 277.140 37.118 275.976 27.278 1.163574       46.06314 
1 1 1 8   17 22 o 442.177 20.151 42.213  3.7734 37.141  6.3351  45.002  4.6977 403.963 37.458 453.848 24.533 -49.88522      44.77635 
1 1 1 8   18 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   18 1  o 685.804 29.891 100.270 8.6812 0.0000  0.0000  100.270 8.6812 ?       ?      685.804 29.891 0.000000       29.89059 
1 1 1 8   18 2  o 518.077 20.612 57.022  4.5222 53.786  6.1659  60.789  6.6525 501.501 29.158 533.178 29.579 -31.67679      41.53429 
1 1 1 8   18 3  o 674.658 21.113 96.724  6.0321 97.256  8.2850  96.123  8.7995 675.451 28.964 671.186 30.958 4.264832       42.39465 
1 1 1 8   18 4  o 481.455 20.930 49.262  4.2675 49.067  5.8962  49.477  6.1844 478.801 29.219 480.568 30.546 -1.766510      42.27054 
1 1 1 8   18 5  o 712.769 21.593 108.017 6.5178 105.553 8.9667  110.777 9.4907 703.236 30.108 720.235 31.116 -16.99890      43.29793 
1 1 1 8   18 6  o 447.194 21.459 42.527  4.0640 36.190  5.5344  49.943  5.9870 410.231 32.113 482.837 29.420 -72.60623      43.55214 
1 1 1 8   18 7  o 1368.53 25.601 399.122 14.837 363.458 20.515  438.236 21.484 1301.34 37.225 1429.83 35.481 -128.4894      51.42588 
1 1 1 8   18 8  o 632.935 21.935 85.245  5.8796 81.229  8.0533  89.830  8.6039 615.584 30.991 648.074 31.349 -32.49054      44.08198 
1 1 1 8   18 9  o 362.506 31.262 28.314  4.7524 28.314  4.7524  0.0000  0.0000 362.506 31.262 ?       ?      0.000000       31.26239 
1 1 1 8   18 10 o 1081.07 35.103 250.778 16.071 0.0000  0.0000  250.778 16.071 ?       ?      1081.07 35.103 0.000000       35.10308 
1 1 1 8   18 11 o 153.421 31.960 5.2269  2.0091 7.5682  2.7631  2.6005  2.9265 184.491 36.657 120.767 44.043 63.72437       57.30206 
1 1 1 8   18 12 o 346.366 24.602 25.736  3.5853 29.631  5.0885  21.896  5.0524 370.018 32.814 316.227 38.523 53.79062       50.60414 
1 1 1 8   18 13 o 337.225 24.477 24.435  3.4719 21.492  4.9068  27.384  4.9131 312.929 37.791 355.078 33.052 -42.14914      50.20618 
1 1 1 8   18 14 o 666.970 23.406 95.158  6.6111 93.993  9.1666  96.420  9.5439 659.664 32.813 666.880 33.905 -7.215942      47.18315 
1 1 1 8   18 15 o 344.547 20.280 25.441  2.9461 23.755  5.0930  26.289  3.6117 328.225 37.303 349.301 24.572 -21.07550      44.66872 
1 1 1 8   18 16 o 403.026 19.740 34.706  3.3692 33.106  5.7524  35.542  4.1568 388.327 35.367 406.220 24.274 -17.89352      42.89562 
1 1 1 8   18 17 o 567.160 23.554 69.125  5.6574 69.099  7.9822  69.151  8.0196 561.849 33.703 561.977 33.855 -0.1273193     47.77090 
1 1 1 8   18 18 o 464.997 34.902 47.833  6.8228 0.0000  0.0000  47.833  6.8228 ?       ?      464.997 34.902 0.000000       34.90166 
1 1 1 8   18 19 o 402.055 24.185 35.068  4.0987 30.533  5.6857  39.974  5.9140 369.233 36.854 425.029 33.118 -55.79572      49.54765 
1 1 1 8   18 20 o 399.088 20.425 34.374  3.4405 34.659  5.9487  34.230  4.2175 393.015 36.146 396.287 25.262 -3.271820      44.09914 
1 1 1 8   18 21 o 286.120 21.857 17.819  2.6284 19.676  4.4225  16.804  3.2683 294.090 36.279 275.234 28.450 18.85529       46.10355 
1 1 1 8   18 22 o 228.777 23.589 11.495  2.2527 8.3935  3.7276  13.279  2.8274 185.741 47.270 244.435 27.808 -58.69408      54.84336 
1 1 1 8   19 0  o 220.225 34.280 10.604  3.0931 0.0000  0.0000  10.604  3.0931 ?       ?      220.225 34.280 0.000000       34.28035 
1 1 1 8   19 1  o 490.494 20.200 51.110  4.1959 45.087  5.7133  58.161  6.1822 458.903 29.556 521.701 28.085 -62.79776      40.77174 
1 1 1 8   19 2  o 779.449 20.964 129.108 6.9201 129.461 9.5191  128.712 10.078 779.265 28.845 776.670 30.640 2.595093       42.08093 
1 1 1 8   19 3  o 473.883 20.638 47.723  4.1417 42.881  5.6212  53.473  6.1257 447.351 29.843 499.909 29.060 -52.55820      41.65422 
1 1 1 8   19 4  o 392.302 21.388 32.816  3.5399 36.945  4.9106  28.349  5.1075 415.328 28.084 362.575 33.647 52.75339       43.82691 
1 1 1 8   19 5  o 693.798 21.661 102.371 6.3642 108.354 8.8186  95.868  9.1940 712.510 29.226 669.593 32.423 42.91663       43.65048 
1 1 1 8   19 6  o 570.947 21.493 69.338  5.1968 71.416  7.2303  67.117  7.4745 577.523 29.663 559.384 31.682 18.13843       43.40094 
1 1 1 8   19 7  o 253.145 23.897 13.768  2.5315 13.182  3.4318  14.467  3.7496 245.846 33.860 257.438 35.324 -11.59285      48.93160 
1 1 1 8   19 8  o 197.863 36.629 8.6659  2.9562 8.6659  2.9562  0.0000  0.0000 197.863 36.629 ?       ?      0.000000       36.62897 
1 1 1 8   19 9  o 642.959 30.285 88.406  8.2462 88.406  8.2462  0.0000  0.0000 642.959 30.285 ?       ?      0.000000       30.28487 
1 1 1 8   19 10 o 856.294 33.413 157.225 12.117 0.0000  0.0000  157.225 12.117 ?       ?      856.294 33.413 0.000000       33.41307 
1 1 1 8   19 11 o 202.047 28.713 8.9020  2.3877 7.9483  3.1853  10.125  3.6073 188.252 41.106 212.929 41.496 -24.67694      58.40929 
1 1 1 8   19 12 o 376.711 23.716 30.414  3.7641 26.922  5.2177  34.203  5.4354 351.637 35.526 397.557 32.570 -45.92056      48.19629 
1 1 1 8   19 13 o 227.584 28.510 11.287  2.6875 13.983  3.8449  8.7126  3.7579 251.457 37.231 195.534 46.128 55.92252       59.27822 
1 1 1 8   19 14 o 328.333 24.956 23.238  3.4441 25.558  4.8956  20.965  4.8460 341.854 34.278 308.159 37.935 33.69492       51.12731 
1 1 1 8   19 15 o 575.280 19.096 70.645  4.6522 75.315  7.9794  68.241  5.7261 588.854 32.119 564.097 23.970 24.75623       40.07698 
1 1 1 8   19 16 f 455.355 24.054 44.647  4.6220 44.311  6.4263  45.007  6.6525 449.952 33.976 453.067 34.942 -3.115326      48.73688 
1 1 1 8   19 17 f 121.796 43.760 2.9055  2.8745 2.9055  2.8745  0.0000  0.0000 121.796 43.760 ?       ?      0.000000       43.75955 
1 1 1 8   19 18 o 190.173 31.547 8.1085  2.4517 0.0000  0.0000  8.1085  2.4517 ?       ?      190.173 31.547 0.000000       31.54738 
1 1 1 8   19 19 o 388.270 35.193 33.630  5.7238 0.0000  0.0000  33.630  5.7238 ?       ?      388.270 35.193 0.000000       35.19251 
1 1 1 8   19 20 o 384.891 20.119 31.994  3.2679 31.922  5.6114  32.031  4.0200 376.793 35.587 383.133 24.912 -6.340271      43.44008 
1 1 1 8   19 21 o 402.787 20.082 35.029  3.4256 31.769  5.7947  36.780  4.2471 373.517 37.126 410.108 24.567 -36.59177      44.51811 
1 1 1 8   19 22 o 270.879 22.468 16.028  2.5541 18.780  4.4657  14.690  3.1137 285.862 37.816 256.568 29.176 29.29364       47.76309 
1 1 1 8   20 0  o 589.087 28.618 73.982  7.1394 0.0000  0.0000  73.982  7.1394 ?       ?      589.087 28.618 0.000000       28.61795 
1 1 1 8   20 1  o 720.077 20.330 110.176 6.1996 118.546 8.5798  101.030 8.9684 745.911 27.161 687.997 30.781 57.91388       41.05111 
1 1 1 8   20 2  o 722.432 20.685 110.923 6.3285 103.868 8.6631  118.997 9.2672 697.776 29.317 746.870 29.300 -49.09460      41.44788 
1 1 1 8   20 3  f 1129.84 23.072 271.601 11.040 278.155 15.252  264.389 16.000 1141.02 31.564 1111.64 33.986 29.38123       46.38268 
1 1 1 8   20 4  o 850.836 21.667 153.965 7.8070 139.938 10.700  169.935 11.416 809.233 31.222 892.016 30.221 -82.78253      43.45274 
1 1 1 8   20 5  o 711.620 21.318 107.710 6.4245 109.309 8.8214  105.905 9.3749 715.498 29.113 703.782 31.455 11.71576       42.85983 
1 1 1 8   20 6  f 1087.06 23.465 251.638 10.802 254.277 14.956  248.760 15.619 1089.96 32.401 1077.40 34.232 12.55823       47.13427 
1 1 1 8   20 7  o 999.834 23.154 212.891 9.8039 213.269 13.572  212.478 14.177 998.095 32.110 995.719 33.621 2.376465       46.49080 
1 1 1 8   20 8  o 737.085 30.334 116.202 9.4689 116.202 9.4689  0.0000  0.0000 737.085 30.334 ?       ?      0.000000       30.33449 
1 1 1 8   20 9  o 579.531 32.283 72.164  7.8917 0.0000  0.0000  72.164  7.8917 ?       ?      579.531 32.283 0.000000       32.28322 
1 1 1 8   20 10 o 589.515 22.004 74.014  5.4933 65.157  7.4618  84.496  8.1170 550.414 32.152 628.205 30.510 -77.79132      44.32395 
1 1 1 8   20 11 o 763.733 22.683 124.376 7.3366 115.303 10.098  134.519 10.677 732.653 32.545 791.590 31.851 -58.93726      45.53760 
1 1 1 8   20 12 o 505.321 22.812 54.520  4.8817 49.505  6.7324  60.081  7.0889 478.141 33.459 527.475 31.885 -49.33365      46.21830 
1 1 1 8   20 13 o 324.733 24.367 22.699  3.3265 19.774  4.6235  25.837  4.7897 299.625 37.241 344.277 33.266 -44.65109      49.93512 
1 1 1 8   20 14 o 263.958 26.238 15.109  2.8941 15.375  4.0731  14.838  4.1130 263.132 37.623 258.030 38.843 5.101410       54.07649 
1 1 1 8   20 15 o 565.165 23.152 68.482  5.5413 69.423  7.7170  67.481  7.9619 564.835 32.397 556.111 33.970 8.723328       46.94190 
1 1 1 8   20 16 o 366.759 34.875 29.625  5.3516 29.625  5.3516  0.0000  0.0000 366.759 34.875 ?       ?      0.000000       34.87523 
1 1 1 8   20 17 o 149.662 34.402 5.1024  2.1348 4.7896  3.1452  5.3697  2.9069 145.578 45.765 152.592 43.091 -7.014771      62.85864 
1 1 1 8   20 18 o 142.733 35.854 4.6844  2.1644 0.0000  0.0000  4.6844  2.1644 ?       ?      142.733 35.854 0.000000       35.85434 
1 1 1 8   20 19 f 308.203 37.532 21.474  4.7975 0.0000  0.0000  21.474  4.7975 ?       ?      308.203 37.532 0.000000       37.53181 
1 1 1 8   20 20 o 199.578 26.062 8.8273  2.1502 9.4844  3.7202  8.4977  2.6348 199.179 45.146 193.097 33.431 6.082382       56.17672 
1 1 1 8   20 21 o 384.296 20.399 32.010  3.3080 25.329  5.5662  35.658  4.1132 330.573 40.615 403.817 24.163 -73.24417      47.25899 
1 1 1 8   21 0  o 1455.89 35.697 453.856 22.009 0.0000  0.0000  453.856 22.009 ?       ?      1455.89 35.697 0.000000       35.69666 
1 1 1 8   21 1  o 649.581 20.166 89.674  5.5475 85.362  7.6506  94.455  8.0558 632.613 28.557 665.450 28.586 -32.83765      40.40623 
1 1 1 8   21 2  o 300.669 21.610 19.323  2.7332 16.022  3.7505  23.062  3.9915 271.714 33.290 327.479 29.084 -55.76535      44.20507 
1 1 1 8   21 3  o 461.087 20.452 45.198  3.9937 45.197  5.4168  45.200  5.9114 459.448 27.973 458.967 30.588 0.4812927      41.45020 
1 1 1 8   21 4  o 150.817 31.126 5.0390  1.9221 4.8774  2.6321  5.2237  2.8135 148.212 40.694 153.289 42.066 -5.077667      58.52818 
1 1 1 8   21 5  o 640.376 21.188 87.239  5.7459 82.690  7.8211  92.574  8.4695 622.061 29.689 658.046 30.392 -35.98553      42.48630 
1 1 1 8   21 6  o 479.495 21.408 48.925  4.3472 47.239  5.9830  50.810  6.3272 469.060 30.281 486.404 30.877 -17.34409      43.24699 
1 1 1 8   21 7  o 491.387 30.208 51.836  6.2557 51.836  6.2557  0.0000  0.0000 491.387 30.208 ?       ?      0.000000       30.20751 
1 1 1 8   21 8  o 624.199 21.847 82.947  5.7750 83.186  7.9938  82.686  8.3521 623.557 30.271 620.546 31.889 3.011414       43.96918 
1 1 1 8   21 9  o 605.339 32.415 78.768  8.2797 0.0000  0.0000  78.768  8.2797 ?       ?      605.339 32.415 0.000000       32.41532 
1 1 1 8   21 10 o 137.040 33.609 4.1930  1.9356 4.1872  2.5198  4.2013  3.0232 137.912 40.488 140.358 44.953 -2.446121      60.49842 
1 1 1 8   21 11 o 193.346 30.902 8.2198  2.4451 4.3310  3.3853  12.461  3.5352 143.656 47.677 237.703 36.267 -94.04707      59.90332 
1 1 1 8   21 12 o 410.697 23.245 36.165  4.0262 39.820  5.6400  32.366  5.7496 428.922 31.265 385.171 35.653 43.75137       47.41936 
1 1 1 8   21 13 o 678.593 22.687 98.515  6.5197 107.582 9.0721  88.831  9.3758 706.291 30.331 639.102 34.772 67.18970       46.14153 
1 1 1 8   21 14 o 598.350 22.764 76.694  5.7683 77.183  7.9996  76.165  8.3255 596.203 31.798 591.510 33.372 4.693604       46.09565 
1 1 1 8   21 15 o 229.279 27.994 11.504  2.6618 9.3629  3.9024  13.366  3.6398 201.217 46.697 244.954 36.176 -43.73642      59.07027 
1 1 1 8   21 16 o 236.569 40.872 12.709  3.9466 12.709  3.9466  0.0000  0.0000 236.569 40.872 ?       ?      0.000000       40.87180 
1 1 1 8   21 17 o 184.003 42.766 7.8879  3.2691 0.0000  0.0000  7.8879  3.2691 ?       ?      184.003 42.766 0.000000       42.76608 
1 1 1 8   21 18 o 215.243 23.296 10.120  2.0896 8.1588  3.6207  11.099  2.5587 185.499 46.250 224.236 27.522 -38.73643      53.81977 
1 1 1 8   21 19 o 372.759 35.482 31.183  5.5335 0.0000  0.0000  31.183  5.5335 ?       ?      372.759 35.482 0.000000       35.48167 
1 1 1 8   21 20 f 116.621 32.865 3.1188  1.6927 2.7794  2.9564  3.2844  2.0646 118.871 44.112 120.038 36.972 -1.167198      57.55688 
1 1 1 8   21 21 o 369.844 20.351 29.666  3.1753 22.193  5.3581  33.711  3.9420 307.840 42.212 392.638 23.820 -84.79776      48.46866 
1 1 1 8   22 0  o 372.556 19.741 29.579  3.1035 24.536  4.2288  35.467  4.5690 337.701 29.878 407.053 26.652 -69.35138      40.03769 
1 1 1 8   22 1  o 596.247 19.874 75.565  5.0183 77.031  6.9640  73.980  7.2377 600.985 27.362 588.699 29.031 12.28583       39.89352 
1 1 1 8   22 2  o 1055.55 22.136 237.073 9.8953 225.806 13.702  249.352 14.305 1027.62 31.486 1079.94 31.278 -52.31787      44.38168 
1 1 1 8   22 3  o 357.789 21.407 27.330  3.2287 24.472  4.3282  30.916  4.8481 336.982 30.664 379.114 30.453 -42.13174      43.21694 
1 1 1 8   22 4  o 357.414 21.287 27.275  3.2075 27.370  4.3155  27.158  4.7942 356.822 28.804 354.756 32.264 2.066467       43.25080 
1 1 1 8   22 5  o 529.037 20.928 59.548  4.6887 52.822  6.3840  67.425  6.9086 496.015 30.540 560.937 29.183 -64.92245      42.24160 
1 1 1 8   22 6  o 511.318 21.117 55.639  4.5726 53.956  6.2795  57.539  6.6714 501.444 29.703 517.679 30.567 -16.23431      42.62127 
1 1 1 8   22 7  o 690.909 29.883 102.115 8.7437 102.115 8.7437  0.0000  0.0000 690.909 29.883 ?       ?      0.000000       29.88350 
1 1 1 8   22 8  o 520.535 31.584 58.254  6.9295 0.0000  0.0000  58.254  6.9295 ?       ?      520.535 31.584 0.000000       31.58382 
1 1 1 8   22 9  o 341.683 23.966 25.019  3.4460 24.655  4.6765  25.450  5.0973 337.349 33.162 342.194 35.700 -4.844299      48.72610 
1 1 1 8   22 10 o 248.240 26.494 13.323  2.7422 14.125  3.7348  12.385  4.0393 253.632 35.764 235.627 42.021 18.00575       55.17947 
1 1 1 8   22 11 o 141.402 36.586 4.4877  2.2076 4.3430  3.0088  4.6565  3.2489 141.566 44.794 146.527 46.566 -4.960510      64.61326 
1 1 1 8   22 12 o 572.858 22.392 70.153  5.4323 69.096  7.5282  71.300  7.8466 565.055 31.586 573.692 32.430 -8.637329      45.27000 
1 1 1 8   22 13 o 509.899 22.738 55.668  4.9100 49.573  6.7590  62.478  7.1448 476.946 33.680 536.577 31.582 -59.63071      46.17044 
1 1 1 8   22 14 o 125.406 35.108 3.5274  1.9384 1.6887  2.8218  5.1703  2.6673 108.515 42.401 150.736 40.791 -42.22164      58.83649 
1 1 1 8   22 15 o 267.578 37.685 15.994  4.1520 15.994  4.1520  0.0000  0.0000 267.578 37.685 ?       ?      0.000000       37.68495 
1 1 1 8   22 16 o 324.799 35.326 23.434  4.7808 23.434  4.7808  0.0000  0.0000 324.799 35.326 ?       ?      0.000000       35.32633 
1 1 1 8   22 17 o 602.972 34.208 80.491  8.6992 0.0000  0.0000  80.491  8.6992 ?       ?      602.972 34.208 0.000000       34.20822 
1 1 1 8   22 18 o 154.461 34.876 5.4845  2.2273 5.1221  3.0004  5.9294  3.3243 148.348 44.341 158.652 46.484 -10.30418      64.24067 
1 1 1 8   22 19 o 390.679 24.741 33.318  4.0722 0.0000  0.0000  33.318  4.0722 ?       ?      390.679 24.741 0.000000       24.74066 
1 1 1 8   22 20 o 125.714 31.392 3.6455  1.6662 4.4673  2.9037  3.2422  2.0345 138.301 44.030 119.108 36.704 19.19296       57.32229 
1 1 1 8   22 21 o 201.872 24.269 9.0110  2.0332 6.7257  3.4599  10.216  2.5129 166.009 47.057 213.500 28.505 -47.49126      55.01708 
1 1 1 8   23 0  o 358.592 20.011 27.422  3.0268 27.019  4.1637  27.874  4.4077 354.743 27.942 360.128 29.151 -5.385010      40.37979 
1 1 1 8   23 1  o 480.834 19.739 49.153  4.0194 48.387  5.5738  49.983  5.8017 475.339 27.810 483.010 28.489 -7.670929      39.81230 
1 1 1 8   23 2  o 512.249 20.321 55.805  4.4083 50.076  6.0829  62.143  6.3975 483.120 29.878 538.759 28.137 -55.63910      41.04147 
1 1 1 8   23 3  o 281.602 21.947 16.980  2.5967 15.974  3.5089  18.199  3.8608 271.521 31.075 289.850 31.986 -18.32852      44.59551 
1 1 1 8   23 4  o 728.197 21.071 112.842 6.4979 121.389 8.9863  103.475 9.4070 753.808 28.150 695.084 31.957 58.72363       42.58751 
1 1 1 8   23 5  o 528.357 20.785 59.406  4.6508 66.934  6.4285  51.139  6.7366 559.862 27.114 487.355 32.831 72.50748       42.57991 
1 1 1 8   23 6  o 346.026 31.123 25.840  4.5120 25.840  4.5120  0.0000  0.0000 346.026 31.123 ?       ?      0.000000       31.12315 
1 1 1 8   23 7  o 223.972 25.901 10.846  2.4114 13.684  3.4320  8.0792  3.3887 250.482 33.170 189.595 43.172 60.88737       54.44342 
1 1 1 8   23 8  o 663.548 32.102 94.431  9.0209 0.0000  0.0000  94.431  9.0209 ?       ?      663.548 32.102 0.000000       32.10215 
1 1 1 8   23 9  o 263.481 25.598 14.968  2.8202 15.923  3.8608  13.875  4.1296 269.932 34.567 250.260 40.336 19.67215       53.12156 
1 1 1 8   23 10 o 938.757 23.182 188.180 9.2163 195.255 12.710  180.335 13.383 952.872 31.497 914.311 34.565 38.56128       46.76313 
1 1 1 8   23 11 o 649.390 22.255 90.098  6.1203 97.643  8.4767  81.883  8.8458 673.684 29.712 614.495 34.126 59.18835       45.24812 
1 1 1 8   23 12 o 537.100 22.489 61.724  5.1153 64.397  6.9733  58.611  7.5265 545.509 30.305 518.709 34.459 26.79932       45.88910 
1 1 1 8   23 13 o 412.283 23.160 36.549  4.0273 34.092  5.5320  39.320  5.8743 394.887 33.393 424.446 32.939 -29.55933      46.90485 
1 1 1 8   23 14 o 497.059 23.072 53.018  4.8566 59.601  6.6860  45.665  7.0665 523.706 30.275 455.263 36.971 68.44345       47.78576 
1 1 1 8   23 15 o 127.399 42.381 3.4788  2.6745 3.4788  2.6745  0.0000  0.0000 127.399 42.381 ?       ?      0.000000       42.38131 
1 1 1 8   23 16 o 583.704 33.693 75.127  8.2934 0.0000  0.0000  75.127  8.2934 ?       ?      583.704 33.693 0.000000       33.69331 
1 1 1 8   23 17 o 265.163 26.071 15.413  2.8898 11.407  3.9462  20.045  4.2434 220.891 43.733 299.371 34.078 -78.48074      55.44239 
1 1 1 8   23 18 o 205.632 41.038 9.8531  3.4485 9.8531  3.4485  0.0000  0.0000 205.632 41.038 ?       ?      0.000000       41.03753 
1 1 1 8   23 19 o 150.282 43.096 5.3598  2.8850 0.0000  0.0000  5.3598  2.8850 ?       ?      150.282 43.096 0.000000       43.09628 
1 1 1 8   23 20 o 132.505 30.110 4.0377  1.6512 5.3968  3.0838  3.4913  1.9552 149.976 44.981 122.739 35.560 27.23737       57.33930 
1 1 1 8   23 21 o 462.034 19.384 46.111  3.7929 46.855  6.4229  45.713  4.6998 455.905 33.502 456.838 24.381 -0.9327698     41.43425 
1 1 1 8   24 0  o 516.635 19.413 56.749  4.2474 57.610  5.8702  55.804  6.1533 518.901 26.804 510.319 28.587 8.582489       39.18826 
1 1 1 8   24 1  o 605.752 19.766 78.032  5.0705 79.568  7.0276  76.364  7.3231 610.516 27.181 597.778 28.927 12.73804       39.69407 
1 1 1 8   24 2  o 927.474 21.334 183.081 8.3794 169.759 11.593  197.656 12.126 890.646 30.736 961.356 29.784 -70.70923      42.79898 
1 1 1 8   24 3  o 652.528 20.434 90.595  5.6467 89.377  7.7596  91.965  8.2327 646.699 28.333 655.708 29.648 -9.008667      41.00905 
1 1 1 8   24 4  o 864.273 21.409 159.024 7.8359 169.380 10.871  147.823 11.305 890.018 28.841 830.477 32.145 59.54120       43.18700 
1 1 1 8   24 5  o 428.041 28.710 39.350  5.1742 39.350  5.1742  0.0000  0.0000 428.041 28.710 ?       ?      0.000000       28.71022 
1 1 1 8   24 6  o 982.364 22.425 205.592 9.3294 205.505 12.852  205.688 13.565 979.455 30.983 979.245 32.710 0.2100830      45.05449 
1 1 1 8   24 7  o 1054.06 33.551 238.586 14.976 0.0000  0.0000  238.586 14.976 ?       ?      1054.06 33.551 0.000000       33.55059 
1 1 1 8   24 8  o 1009.52 22.929 217.325 9.8025 208.163 13.424  227.792 14.348 984.648 32.192 1029.71 32.903 -45.06122      46.03196 
1 1 1 8   24 9  o 278.673 25.099 16.732  2.9303 17.007  3.9493  16.395  4.3710 278.976 34.140 272.573 38.976 6.402496       51.81381 
1 1 1 8   24 10 f 529.784 21.996 59.934  4.9350 49.974  6.5811  72.730  7.4594 480.337 32.545 580.624 30.443 -100.2871      44.56343 
1 1 1 8   24 11 f 440.143 22.405 41.536  4.1624 38.802  5.6856  44.693  6.1103 422.637 32.003 453.743 32.004 -31.10638      45.25983 
1 1 1 8   24 12 o 578.659 22.021 71.674  5.3964 73.581  7.4008  69.508  7.8856 582.869 30.085 565.142 33.093 17.72650       44.72371 
1 1 1 8   24 13 o 174.155 31.176 6.7611  2.2149 8.8935  3.0516  4.3871  3.2198 198.502 37.679 141.970 46.467 56.53244       59.82383 
1 1 1 8   24 14 o 298.947 24.873 19.364  3.1204 20.854  4.3531  17.789  4.4752 307.382 34.011 282.010 38.476 25.37216       51.35297 
1 1 1 8   24 15 o 612.390 31.672 82.068  8.1858 82.068  8.1858  0.0000  0.0000 612.390 31.672 ?       ?      0.000000       31.67214 
1 1 1 8   24 16 o 295.693 38.010 19.760  4.6495 0.0000  0.0000  19.760  4.6495 ?       ?      295.693 38.010 0.000000       38.00976 
1 1 1 8   24 17 o 260.780 26.278 14.936  2.8625 11.983  3.8400  18.630  4.2945 227.280 41.422 287.293 36.094 -60.01280      54.94173 
1 1 1 8   24 18 o 343.675 34.834 26.568  4.9998 26.568  4.9998  0.0000  0.0000 343.675 34.834 ?       ?      0.000000       34.83411 
1 1 1 8   24 19 o 92.429  35.664 1.3919  1.9770 1.9531  2.7240  0.7672  2.8739 107.569 41.763 98.041  41.101 9.528534       58.59515 
1 1 1 8   24 20 o 198.230 31.527 8.9504  2.5580 13.062  3.6882  5.1391  3.5510 236.888 38.052 147.058 48.830 89.83047       61.90622 
1 1 1 8   25 0  o 543.227 19.397 62.758  4.4624 61.638  6.1819  63.977  6.4481 536.539 27.297 546.502 27.954 -9.962402      39.07136 
1 1 1 8   25 1  f 994.147 21.481 210.410 9.0436 212.937 12.586  207.713 13.004 997.614 29.790 984.816 31.180 12.79803       43.12331 
1 1 1 8   25 2  o 439.355 20.168 41.073  3.7525 37.165  5.1669  45.435  5.4589 415.767 29.537 460.206 28.145 -44.43903      40.79938 
1 1 1 8   25 3  o 165.860 28.992 6.0513  1.9622 4.1373  2.7432  8.0568  2.8080 138.216 42.625 190.536 36.121 -52.31973      55.87160 
1 1 1 8   25 4  o 625.837 28.353 83.756  7.5147 83.756  7.5147  0.0000  0.0000 625.837 28.353 ?       ?      0.000000       28.35344 
1 1 1 8   25 5  o 610.840 28.328 79.797  7.3280 79.797  7.3280  0.0000  0.0000 610.840 28.328 ?       ?      0.000000       28.32791 
1 1 1 8   25 6  o 392.478 31.929 33.251  5.2609 0.0000  0.0000  33.251  5.2609 ?       ?      392.478 31.929 0.000000       31.92897 
1 1 1 8   25 7  o 605.982 21.217 78.229  5.4449 75.392  7.4458  81.490  7.9829 593.187 29.640 616.480 30.577 -23.29291      42.58493 
1 1 1 8   25 8  o 549.610 21.953 64.422  5.1097 63.152  7.0338  65.841  7.4354 541.460 30.802 552.564 31.910 -11.10376      44.35136 
1 1 1 8   25 9  o 242.683 26.390 12.761  2.6685 14.085  3.6538  11.248  3.9065 253.041 35.036 223.582 42.817 29.45978       55.32505 
1 1 1 8   25 10 o 677.173 21.957 98.008  6.2968 99.670  8.6049  96.092  9.2390 680.210 29.871 666.756 32.720 13.45416       44.30481 
1 1 1 8   25 11 f 359.389 22.956 27.773  3.4756 23.586  4.6207  33.228  5.2743 328.091 33.737 390.502 32.180 -62.41144      46.62301 
1 1 1 8   25 12 o 354.515 22.739 27.052  3.3958 24.211  4.4976  30.818  5.1790 332.507 32.350 375.286 32.919 -42.77939      46.15395 
1 1 1 8   25 13 o 333.286 23.518 23.975  3.2982 21.552  4.5113  26.758  4.8340 312.404 34.684 349.069 33.096 -36.66443      47.94100 
1 1 1 8   25 14 f 350.183 32.591 26.977  4.7778 26.977  4.7778  0.0000  0.0000 350.183 32.591 ?       ?      0.000000       32.59129 
1 1 1 8   25 15 o 181.426 44.040 7.7045  3.3496 0.0000  0.0000  7.7045  3.3496 ?       ?      181.426 44.040 0.000000       44.03978 
1 1 1 8   25 16 o 267.904 38.049 16.327  4.1955 0.0000  0.0000  16.327  4.1955 ?       ?      267.904 38.049 0.000000       38.04885 
1 1 1 8   25 17 o 258.538 26.761 14.721  2.8876 15.052  3.9701  14.350  4.2075 256.841 37.615 248.872 41.374 7.968552       55.91700 
1 1 1 8   25 18 o 233.007 39.708 12.626  3.7778 12.626  3.7778  0.0000  0.0000 233.007 39.708 ?       ?      0.000000       39.70848 
1 1 1 8   25 19 o 151.692 34.086 5.3599  2.1363 4.5416  3.0761  6.1222  2.9692 139.151 45.412 159.354 43.002 -20.20337      62.54153 
1 1 1 8   25 20 o 87.316  34.363 1.1260  1.8647 0.6667  2.6384  1.5845  2.6358 93.592  39.316 102.349 40.672 -8.756393      56.56771 
1 1 1 8   26 0  o 316.477 20.638 21.409  2.7509 24.688  3.8566  18.012  3.9251 338.871 27.101 287.970 32.769 50.90161       42.52356 
1 1 1 8   26 1  o 704.501 19.922 105.614 5.9436 99.619  8.2091  112.220 8.6169 682.478 28.403 724.439 28.087 -41.96118      39.94503 
1 1 1 8   26 2  o 336.734 20.813 24.232  2.9535 20.593  4.0326  28.442  4.3379 308.430 31.307 363.581 28.399 -55.15131      42.26847 
1 1 1 8   26 3  o 479.958 27.663 49.410  5.5989 49.410  5.5989  0.0000  0.0000 479.958 27.663 ?       ?      0.000000       27.66294 
1 1 1 8   26 4  o 260.198 33.134 14.761  3.5682 14.761  3.5682  0.0000  0.0000 260.198 33.134 ?       ?      0.000000       33.13391 
1 1 1 8   26 5  o 288.038 34.314 18.078  4.1033 0.0000  0.0000  18.078  4.1033 ?       ?      288.038 34.314 0.000000       34.31384 
1 1 1 8   26 6  o 232.623 37.316 11.951  3.5518 0.0000  0.0000  11.951  3.5518 ?       ?      232.623 37.316 0.000000       37.31581 
1 1 1 8   26 7  o 739.016 21.387 116.432 6.6935 116.322 9.2520  116.554 9.6955 736.362 29.669 736.632 31.080 -0.2697144     42.96734 
1 1 1 8   26 8  o 143.224 35.039 4.6058  2.1078 5.1394  3.1929  4.1936  2.8062 152.181 45.799 138.695 43.168 13.48625       62.93613 
1 1 1 8   26 9  o 393.464 23.125 33.226  3.8364 37.412  5.3885  28.922  5.4631 415.512 30.843 363.488 35.962 52.02350       47.37662 
1 1 1 8   26 10 o 293.923 25.543 18.682  3.1478 12.685  4.4230  24.837  4.4810 235.889 45.928 337.479 31.726 -101.5898      55.81995 
1 1 1 8   26 11 o 749.697 22.233 120.410 7.0587 120.548 9.6419  120.252 10.362 746.304 30.507 744.082 32.883 2.222473       44.85528 
1 1 1 8   26 12 o 208.002 28.635 9.5189  2.4555 7.5139  3.2441  12.209  3.7575 180.670 43.017 232.588 39.564 -51.91867      58.44509 
1 1 1 8   26 13 o 229.192 37.268 11.816  3.4930 11.816  3.4930  0.0000  0.0000 229.192 37.268 ?       ?      0.000000       37.26797 
1 1 1 8   26 14 o 209.160 39.430 9.9971  3.3645 9.9971  3.3645  0.0000  0.0000 209.160 39.430 ?       ?      0.000000       39.42978 
1 1 1 8   26 15 o 368.452 34.579 30.273  5.3325 0.0000  0.0000  30.273  5.3325 ?       ?      368.452 34.579 0.000000       34.57912 
1 1 1 8   26 16 o 219.990 28.347 10.746  2.5795 7.9673  3.5286  13.935  3.7802 182.780 45.706 247.203 37.267 -64.42265      58.97320 
1 1 1 8   26 17 o 454.509 23.385 44.926  4.4860 43.685  6.1126  46.374  6.6041 442.567 32.848 454.843 34.544 -12.27588      47.66828 
1 1 1 8   26 18 o 149.867 43.659 5.3721  2.9400 5.3721  2.9400  0.0000  0.0000 149.867 43.659 ?       ?      0.000000       43.65873 
1 1 1 8   26 19 o 283.584 25.889 17.804  3.0749 19.131  4.3455  16.473  4.3516 288.184 36.419 265.000 40.022 23.18478       54.11255 
1 1 1 8   26 20 o 256.180 26.814 14.601  2.8659 11.311  3.8733  18.582  4.2604 216.682 43.717 284.029 36.246 -67.34676      56.78882 
1 1 1 8   27 0  o 1282.30 23.009 350.577 12.495 332.265 17.343  370.338 18.017 1243.90 32.922 1313.53 32.389 -69.62964      46.18342 
1 1 1 8   27 1  o 520.295 19.553 57.608  4.3083 53.472  5.9572  62.143  6.2382 499.137 28.299 538.407 27.451 -39.27042      39.42534 
1 1 1 8   27 2  o 427.836 28.033 39.321  5.0511 39.321  5.0511  0.0000  0.0000 427.836 28.033 ?       ?      0.000000       28.03349 
1 1 1 8   27 3  o 476.250 28.201 48.697  5.6624 48.697  5.6624  0.0000  0.0000 476.250 28.201 ?       ?      0.000000       28.20093 
1 1 1 8   27 4  o 628.275 29.540 84.568  7.8597 0.0000  0.0000  84.568  7.8597 ?       ?      628.275 29.540 0.000000       29.54017 
1 1 1 8   27 5  o 242.482 35.548 12.924  3.5420 0.0000  0.0000  12.924  3.5420 ?       ?      242.482 35.548 0.000000       35.54807 
1 1 1 8   27 6  o 211.035 27.043 9.6849  2.3613 11.020  3.2181  8.1277  3.4754 223.498 35.162 189.507 44.128 33.99159       56.42406 
1 1 1 8   27 7  o 304.066 23.410 19.871  2.9913 18.272  4.3602  21.293  4.1115 288.407 36.517 313.027 31.440 -24.61957      48.18693 
1 1 1 8   27 8  o 258.310 25.374 14.432  2.7399 14.445  4.0438  14.422  3.7254 254.981 38.662 255.738 35.343 -0.7565460     52.38158 
1 1 1 8   27 9  o 250.939 26.286 13.670  2.7520 14.158  3.7993  13.131  3.9916 252.634 36.576 241.950 40.379 10.68379       54.48205 
1 1 1 8   27 10 o 440.045 22.351 41.587  4.1515 36.641  5.6078  47.585  6.1753 409.697 32.590 467.691 31.360 -57.99442      45.22795 
1 1 1 8   27 11 o 152.231 36.780 5.2721  2.3446 2.7248  3.3506  7.7163  3.2821 124.507 46.810 183.129 43.047 -58.62205      63.59417 
1 1 1 8   27 12 o 266.408 24.926 15.413  2.7795 13.337  3.7011  18.098  4.2095 243.960 36.983 285.418 35.600 -41.45819      51.33349 
1 1 1 8   27 13 o 163.078 41.265 6.1451  2.8522 6.1451  2.8522  0.0000  0.0000 163.078 41.265 ?       ?      0.000000       41.26538 
1 1 1 8   27 14 o 66.339  30.760 -1.6392 2.0608 0.0000  0.0000  -1.6392 2.0608 ?       ?      66.339  30.760 0.000000       30.75975 
1 1 1 8   27 15 o 120.842 42.654 3.0407  2.7195 0.0000  0.0000  3.0407  2.7195 ?       ?      120.842 42.654 0.000000       42.65388 
1 1 1 8   27 16 o 219.123 28.122 10.671  2.5494 7.9586  3.4521  13.926  3.7812 182.586 44.946 246.755 37.352 -64.16969      58.44098 
1 1 1 8   27 17 o 198.226 30.468 8.8686  2.4758 10.014  3.3964  7.5703  3.6167 206.555 40.275 176.430 47.397 30.12471       62.19710 
1 1 1 8   27 18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   27 19 o 144.311 34.510 4.8875  2.0806 4.8017  2.8341  4.9878  3.0641 141.573 43.270 144.043 45.153 -2.470062      62.53840 
1 1 1 8   28 0  o 722.208 19.943 111.041 6.0997 123.862 8.5596  97.813  8.6944 761.181 26.554 675.426 30.396 85.75519       40.36114 
1 1 1 8   28 1  o 809.257 28.147 140.170 9.6463 140.170 9.6463  0.0000  0.0000 809.257 28.147 ?       ?      0.000000       28.14688 
1 1 1 8   28 2  o 431.004 28.463 39.941  5.1659 39.941  5.1659  0.0000  0.0000 431.004 28.463 ?       ?      0.000000       28.46271 
1 1 1 8   28 3  o 932.854 30.788 186.719 12.163 0.0000  0.0000  186.719 12.163 ?       ?      932.854 30.788 0.000000       30.78831 
1 1 1 8   28 4  o 398.773 30.250 34.308  5.0704 0.0000  0.0000  34.308  5.0704 ?       ?      398.773 30.250 0.000000       30.24971 
1 1 1 8   28 5  o 123.218 33.430 3.3787  1.7887 2.0694  2.3341  5.2420  2.7844 107.718 39.326 152.803 41.814 -45.08494      57.40154 
1 1 1 8   28 6  o 573.441 21.196 70.164  5.1473 69.190  7.1594  71.207  7.4058 566.545 29.946 574.559 30.546 -8.013489      42.77662 
1 1 1 8   28 7  o 358.531 22.971 27.601  3.4694 28.446  4.9704  26.799  4.8449 361.436 32.831 350.678 33.012 10.75821       46.55841 
1 1 1 8   28 8  o 220.564 26.881 10.606  2.4590 8.5922  3.3881  12.848  3.5744 194.260 42.376 240.547 36.210 -46.28664      55.73972 
1 1 1 8   28 9  o 363.867 22.762 28.483  3.4899 24.848  4.9602  32.046  4.9111 335.961 35.396 383.732 30.472 -47.77133      46.70525 
1 1 1 8   28 10 o 172.961 33.380 6.7197  2.3565 6.5007  3.4628  6.9086  3.2160 167.902 46.896 173.137 43.822 -5.234406      64.18436 
1 1 1 8   28 11 o 388.659 23.279 32.576  3.8139 31.001  5.2965  34.273  5.4962 375.415 33.673 395.077 33.157 -19.66156      47.25708 
1 1 1 8   28 12 o 416.856 32.346 38.152  5.6655 38.152  5.6655  0.0000  0.0000 416.856 32.346 ?       ?      0.000000       32.34615 
1 1 1 8   28 13 o 283.661 25.180 17.532  2.9934 21.967  4.0887  12.409  4.3944 315.618 30.990 230.250 46.665 85.36844       56.01737 
1 1 1 8   28 14 o 111.098 41.215 2.3072  2.5804 0.0000  0.0000  2.3072  2.5804 ?       ?      111.098 41.215 0.000000       41.21459 
1 1 1 8   28 15 f 471.940 22.270 48.186  4.4508 44.947  6.0744  51.939  6.5403 449.702 32.107 483.546 32.121 -33.84387      45.41617 
1 1 1 8   28 16 o 279.167 24.913 17.103  2.9144 15.862  3.9827  18.533  4.2761 263.499 36.686 285.397 36.193 -21.89767      51.53428 
1 1 1 8   28 17 o 262.208 25.429 15.188  2.7882 16.652  3.7258  13.325  4.2034 270.899 33.170 236.338 43.603 34.56079       54.78590 
1 1 1 8   28 18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   28 19 o 185.590 30.469 7.8640  2.3116 10.885  3.2108  4.6133  3.3308 216.030 36.389 139.811 47.300 76.21918       59.67783 
1 1 1 8   29 0  o 951.560 29.099 194.049 11.726 194.049 11.726  0.0000  0.0000 951.560 29.099 ?       ?      0.000000       29.09926 
1 1 1 8   29 1  o 349.101 29.106 26.295  4.2638 26.295  4.2638  0.0000  0.0000 349.101 29.106 ?       ?      0.000000       29.10577 
1 1 1 8   29 2  f 697.754 29.246 104.392 8.6421 0.0000  0.0000  104.392 8.6421 ?       ?      697.754 29.246 0.000000       29.24635 
1 1 1 8   29 3  o 432.408 31.576 40.399  5.7423 0.0000  0.0000  40.399  5.7423 ?       ?      432.408 31.576 0.000000       31.57626 
1 1 1 8   29 4  o 237.307 23.986 12.155  2.3774 14.749  3.2951  9.3385  3.4335 260.268 30.472 203.777 41.203 56.49110       51.24707 
1 1 1 8   29 5  o 289.009 23.348 17.969  2.8332 21.959  4.1415  14.460  3.8843 317.870 31.167 255.821 36.922 62.04861       48.31773 
1 1 1 8   29 6  o 314.034 23.027 21.207  3.0411 17.257  4.3395  25.019  4.2630 279.351 37.640 339.530 29.955 -60.17862      48.10440 
1 1 1 8   29 7  o 254.274 25.399 14.013  2.6985 14.265  3.9179  13.785  3.7221 253.206 37.686 249.252 36.330 3.953857       52.34622 
1 1 1 8   29 8  o 350.474 23.249 26.453  3.4311 30.016  4.8247  22.806  4.8805 371.112 30.982 321.290 36.518 49.82236       47.88994 
1 1 1 8   29 9  o 114.993 37.247 2.8349  2.0712 -0.9390 3.0592  6.0287  2.8143 89.800  39.959 162.185 40.963 -72.38572      57.22520 
1 1 1 8   29 10 o 236.175 26.364 12.179  2.5919 12.402  3.8621  11.997  3.4962 233.827 40.466 231.121 36.966 2.706177       54.80848 
1 1 1 8   29 11 o 219.868 28.909 10.656  2.6265 8.2316  3.6821  13.168  3.7477 187.677 46.553 241.744 37.849 -54.06706      59.99754 
1 1 1 8   29 12 o 478.617 31.437 50.281  6.3365 50.281  6.3365  0.0000  0.0000 478.617 31.437 ?       ?      0.000000       31.43678 
1 1 1 8   29 13 f 183.851 45.139 7.9933  3.4886 0.0000  0.0000  7.9933  3.4886 ?       ?      183.851 45.139 0.000000       45.13873 
1 1 1 8   29 14 o 370.232 24.034 29.870  3.7479 28.370  5.0860  31.653  5.5444 355.698 34.184 375.184 35.311 -19.48529      49.14698 
1 1 1 8   29 15 o 293.590 24.806 18.890  3.0553 24.337  4.2330  12.967  4.4144 330.740 30.568 233.015 46.366 97.72531       55.53537 
1 1 1 8   29 16 o 302.283 24.096 20.034  3.0590 21.042  4.2700  18.971  4.3843 305.065 33.610 287.718 36.828 17.34674       49.85855 
1 1 1 8   29 17 o 226.201 28.456 11.494  2.6656 12.661  3.6303  10.128  3.9265 232.588 38.182 202.911 46.667 29.67751       60.29654 
1 1 1 8   29 18 x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 8   30 0  o 305.807 19.398 19.995  2.4991 15.778  3.9492  22.812  3.2276 268.155 35.660 326.016 23.536 -57.86069      42.72693 
1 1 1 8   30 1  o 447.456 28.570 43.105  5.3855 0.0000  0.0000  43.105  5.3855 ?       ?      447.456 28.570 0.000000       28.56978 
1 1 1 8   30 2  o 724.451 29.666 112.723 9.1016 0.0000  0.0000  112.723 9.1016 ?       ?      724.451 29.666 0.000000       29.66628 
1 1 1 8   30 3  o 315.504 23.241 21.386  3.0834 20.254  4.0319  22.981  4.7857 305.097 31.666 324.147 35.440 -19.04971      47.52623 
1 1 1 8   30 4  o 192.159 29.863 8.1261  2.3513 6.4262  3.2558  9.9791  3.3994 168.136 44.884 210.887 39.515 -42.75130      59.79998 
1 1 1 8   30 5  o 335.903 22.084 24.228  3.1240 22.467  4.4518  25.937  4.3850 320.555 33.278 345.547 30.270 -24.99240      44.98618 
1 1 1 8   30 6  o 420.857 21.657 37.991  3.8468 42.057  5.5608  34.259  5.3272 440.345 29.998 396.564 31.993 43.78085       43.85686 
1 1 1 8   30 7  o 627.806 21.235 84.365  5.6458 82.374  7.9291  86.411  8.0407 616.908 30.350 631.981 30.043 -15.07281      42.70497 
1 1 1 8   30 8  o 300.327 23.962 19.503  3.0223 20.134  4.2913  18.882  4.2572 302.042 34.149 292.048 35.126 9.993713       48.98960 
1 1 1 8   30 9  f 326.112 23.135 22.968  3.1743 24.729  4.6088  21.378  4.3783 335.215 32.889 311.134 33.771 24.08148       47.14021 
1 1 1 8   30 10 o 489.111 21.973 51.389  4.5513 52.098  6.3177  50.625  6.5622 488.284 30.709 480.444 32.443 7.840302       44.67158 
1 1 1 8   30 11 o 405.072 31.153 36.032  5.3032 36.032  5.3032  0.0000  0.0000 405.072 31.153 ?       ?      0.000000       31.15331 
1 1 1 8   30 12 o 278.085 36.155 17.408  4.1571 0.0000  0.0000  17.408  4.1571 ?       ?      278.085 36.155 0.000000       36.15465 
1 1 1 8   30 13 o 278.202 38.208 17.667  4.3826 0.0000  0.0000  17.667  4.3826 ?       ?      278.202 38.208 0.000000       38.20795 
1 1 1 8   30 14 o 412.682 23.399 37.085  4.0725 37.359  5.6464  36.787  5.8793 408.798 32.894 404.478 34.658 4.320557       47.78248 
1 1 1 8   30 15 o 246.277 26.930 13.441  2.7629 7.5837  3.9210  19.218  3.8938 175.701 50.196 292.515 31.952 -116.8148      59.50245 
1 1 1 8   30 16 o 161.908 32.700 6.0635  2.1649 4.9204  2.9412  7.4152  3.1983 143.447 44.119 174.914 43.387 -31.46690      61.87822 
1 1 1 8   30 17 o 194.641 29.331 8.6038  2.3427 7.1978  3.2248  10.175  3.4089 171.155 44.187 206.272 40.470 -35.11739      59.91933 
1 1 1 8   30 18 o 231.385 39.787 12.714  3.7581 0.0000  0.0000  12.714  3.7581 ?       ?      231.385 39.787 0.000000       39.78682 
1 1 1 8   31 0  o 107.328 41.052 1.7715  2.6040 0.0000  0.0000  1.7715  2.6040 ?       ?      107.328 41.052 0.000000       41.05182 
1 1 1 8   31 1  f 492.234 20.237 51.675  4.2186 53.579  5.8361  49.592  6.1049 498.912 27.732 479.194 30.238 19.71747       41.02919 
1 1 1 8   31 2  o 165.443 34.546 6.1345  2.3423 3.9115  3.1829  8.7605  3.4593 137.039 46.238 196.520 42.780 -59.48087      62.99324 
1 1 1 8   31 3  o 348.417 22.501 26.067  3.3022 27.055  4.5113  24.927  4.8469 352.972 30.479 337.551 34.387 15.42096       45.94991 
1 1 1 8   31 4  o 904.442 21.578 174.931 8.2650 169.059 11.423  181.384 11.974 884.808 30.484 916.276 30.858 -31.46741      43.37611 
1 1 1 8   31 5  o 516.774 20.636 57.104  4.5162 55.478  6.3718  58.747  6.4020 505.841 29.877 520.873 29.140 -15.03238      41.73444 
1 1 1 8   31 6  o 224.833 25.106 10.999  2.3496 11.705  3.4294  10.375  3.2257 228.762 36.635 215.056 36.738 13.70631       51.88257 
1 1 1 8   31 7  f 491.085 21.190 51.681  4.4068 52.106  6.2660  51.265  6.1990 489.160 30.398 485.216 30.320 3.944305       42.93409 
1 1 1 8   31 8  o 114.854 35.257 2.9084  1.8793 5.5963  2.6682  0.2626  2.6473 156.087 40.140 92.148  39.081 63.93846       56.02243 
1 1 1 8   31 9  o 169.133 32.467 6.4433  2.2409 6.0026  3.2265  6.8541  3.1148 160.942 45.380 171.908 42.917 -10.96567      62.45977 
1 1 1 8   31 10 o 112.118 43.528 1.9718  2.9592 1.9718  2.9592  0.0000  0.0000 112.118 43.528 ?       ?      0.000000       43.52847 
1 1 1 8   31 11 o 201.581 29.090 9.0325  2.4114 8.0704  3.3001  10.135  3.5323 185.776 42.824 209.255 41.327 -23.47942      59.51302 
1 1 1 8   31 12 o 123.563 44.535 3.1219  2.9796 0.0000  0.0000  3.1219  2.9796 ?       ?      123.563 44.535 0.000000       44.53540 
1 1 1 8   31 13 o 446.686 22.708 43.371  4.2815 44.840  5.8067  41.620  6.3381 449.479 30.689 429.937 35.117 19.54199       46.63743 
1 1 1 8   31 14 o 357.545 23.690 27.925  3.5668 22.440  4.8644  34.303  5.2455 313.215 37.413 391.736 31.896 -78.52158      49.16389 
1 1 1 8   31 15 o 292.563 26.010 18.919  3.1890 23.327  4.4859  14.416  4.5344 320.855 33.508 244.800 45.410 76.05533       56.43489 
1 1 1 8   31 16 o 176.831 33.265 7.2568  2.3997 6.6467  3.4787  7.8107  3.3146 163.516 47.449 178.485 44.106 -14.96907      64.78265 
1 1 1 8   31 17 o 276.604 26.224 17.052  3.0351 21.110  4.3342  13.147  4.2517 302.846 34.405 231.737 44.945 71.10851       56.60179 
1 1 1 8   32 0  o 339.592 21.235 24.728  3.0385 25.877  4.0892  23.311  4.5402 345.817 28.167 326.701 33.281 19.11560       43.60026 
1 1 1 8   32 1  f 646.008 20.011 89.088  5.4745 89.626  7.5515  88.492  7.9480 645.593 27.621 640.888 29.284 4.705383       40.25490 
1 1 1 8   32 2  o 272.959 24.933 16.115  2.8503 10.085  3.9416  22.723  4.1266 209.869 45.648 323.015 30.529 -113.1456      54.91590 
1 1 1 8   32 3  o 94.743  34.573 1.6129  1.8037 -0.9748 2.4262  4.8099  2.6967 78.768  35.278 145.904 41.609 -67.13559      54.55189 
1 1 1 8   32 4  o 271.205 25.081 15.941  2.8480 17.690  3.8445  13.815  4.2398 283.670 32.595 247.161 42.010 36.50880       53.17164 
1 1 1 8   32 5  o 262.177 24.296 14.898  2.6669 16.901  3.8600  13.068  3.6889 276.632 33.642 241.607 37.250 35.02448       50.19292 
1 1 1 8   32 6  o 597.166 20.812 76.419  5.2631 74.532  7.3806  78.371  7.5073 585.367 29.872 601.153 29.489 -15.78656      41.97549 
1 1 1 8   32 7  o 85.592  33.613 0.9875  1.7807 2.4805  2.8222  -0.0000 2.2952 116.427 43.120 83.932  36.013 32.49460       56.18029 
1 1 1 8   32 8  f 153.941 32.059 5.3572  2.0221 3.9835  2.9830  6.5251  2.7504 135.063 44.751 168.376 39.290 -33.31282      59.55174 
1 1 1 8   32 9  o 193.653 42.669 8.7081  3.4049 8.7081  3.4049  0.0000  0.0000 193.653 42.669 ?       ?      0.000000       42.66874 
1 1 1 8   32 10 o 220.206 41.263 11.195  3.7066 11.195  3.7066  0.0000  0.0000 220.206 41.263 ?       ?      0.000000       41.26273 
1 1 1 8   32 11 o 281.365 36.204 17.911  4.2138 0.0000  0.0000  17.911  4.2138 ?       ?      281.365 36.204 0.000000       36.20394 
1 1 1 8   32 12 o 292.328 24.486 18.721  3.0034 16.704  4.2217  20.787  4.2738 269.815 37.999 303.740 33.798 -33.92557      50.85547 
1 1 1 8   32 13 o 212.617 28.451 10.108  2.4975 11.060  3.4610  9.0733  3.6076 217.905 38.934 194.251 44.773 23.65311       59.33371 
1 1 1 8   32 14 f 94.197  35.688 1.5590  1.9562 -0.5515 2.8890  3.3459  2.6584 87.851  38.974 122.985 42.249 -35.13470      57.48042 
1 1 1 8   32 15 f 539.242 22.831 63.508  5.2137 53.071  7.1227  75.556  7.6523 482.004 35.136 579.774 31.282 -97.77045      47.04383 
1 1 1 8   32 16 o 129.448 37.622 3.9843  2.1855 4.9206  3.2529  3.2140  2.9506 142.391 46.710 121.672 44.247 20.71972       64.34010 
1 1 1 8   32 17 o 163.919 34.093 6.3164  2.2896 7.1309  3.2430  5.5069  3.2329 169.469 44.586 149.241 46.315 20.22792       64.28789 
1 1 1 8   33 0  o 441.235 19.777 41.590  3.6955 40.197  5.0010  43.267  5.4851 431.177 27.531 446.848 29.145 -15.67004      40.09250 
1 1 1 8   33 1  o 325.564 20.047 22.739  2.7505 20.630  4.1624  24.374  3.6645 306.737 32.540 335.660 25.982 -28.92310      41.64039 
1 1 1 8   33 2  o 363.269 18.450 28.249  2.8290 30.231  4.6005  27.043  3.5874 372.809 29.377 354.062 24.068 18.74759       37.97779 
1 1 1 8   33 3  o 194.136 31.174 8.3706  2.4762 9.9856  3.3379  6.3940  3.6927 210.045 38.960 166.724 49.033 43.32091       62.62692 
1 1 1 8   33 4  o 562.973 20.490 67.885  4.8851 66.727  6.6255  69.265  7.2313 554.608 28.303 564.065 30.384 -9.456421      41.52460 
1 1 1 8   33 5  o 388.531 21.678 32.497  3.5527 28.436  4.7795  37.511  5.3108 359.983 31.674 414.306 30.483 -54.32294      43.95969 
1 1 1 8   33 6  o 122.849 35.532 3.3977  1.9535 0.8787  2.9318  5.4094  2.6199 101.583 41.959 153.306 39.950 -51.72250      57.93557 
1 1 1 8   33 7  o 365.334 21.887 28.796  3.3706 25.147  4.7770  32.413  4.7567 336.904 33.944 384.890 29.405 -47.98630      44.90931 
1 1 1 8   33 8  o 433.260 30.893 41.223  5.6312 41.223  5.6312  0.0000  0.0000 433.260 30.893 ?       ?      0.000000       30.89309 
1 1 1 8   33 9  o 274.064 38.003 17.014  4.2921 17.014  4.2921  0.0000  0.0000 274.064 38.003 ?       ?      0.000000       38.00303 
1 1 1 8   33 10 o 114.582 41.756 2.5791  2.6297 0.0000  0.0000  2.5791  2.6297 ?       ?      114.582 41.756 0.000000       41.75575 
1 1 1 8   33 11 o 237.751 40.233 13.148  3.9064 0.0000  0.0000  13.148  3.9064 ?       ?      237.751 40.233 0.000000       40.23324 
1 1 1 8   33 12 o 179.995 31.523 7.3810  2.3153 9.5024  3.4253  5.5963  3.1418 200.184 41.756 152.848 45.302 47.33638       61.61028 
1 1 1 8   33 13 o 82.847  33.859 0.7124  1.8837 2.9685  2.7427  -1.3019 2.5916 118.911 42.742 77.920  35.523 40.99138       55.57671 
1 1 1 8   33 14 o 257.872 26.421 14.792  2.8446 8.3632  3.9794  21.510  4.0678 182.356 50.024 308.450 31.586 -126.0940      59.16117 
1 1 1 8   33 15 o 244.568 26.269 13.369  2.6781 11.954  3.7102  14.908  3.8697 223.236 40.747 252.031 37.390 -28.79579      55.30175 
1 1 1 8   33 16 o 358.423 24.415 28.430  3.6838 27.064  5.0392  29.998  5.3989 341.808 35.322 359.453 35.948 -17.64536      50.39752 
1 1 1 8   34 0  o 425.359 17.703 38.626  3.1889 34.818  5.0073  41.224  4.1362 399.851 29.784 437.819 22.383 -37.96841      37.25727 
1 1 1 8   34 1  o 285.539 25.941 17.714  3.1026 13.988  3.8133  25.014  5.3368 249.990 37.149 335.214 38.280 -85.22395      53.34229 
1 1 1 8   34 2  o 161.728 29.217 5.8331  1.9274 8.9393  3.0855  3.8454  2.4682 198.473 38.095 131.360 40.419 67.11388       55.54188 
1 1 1 8   34 3  o 358.472 19.120 27.577  2.8922 25.474  4.6562  28.899  3.6904 340.123 32.730 365.615 23.967 -25.49216      40.56706 
1 1 1 8   34 4  o 296.841 24.125 19.110  3.0065 16.578  4.0732  22.140  4.4562 272.275 36.224 316.247 33.796 -43.97144      49.54190 
1 1 1 8   34 5  o 369.095 22.176 29.402  3.4502 27.108  4.6641  32.173  5.1275 350.885 31.731 382.378 31.957 -31.49374      45.03456 
1 1 1 8   34 6  o 290.907 22.368 18.321  2.7346 22.204  3.8726  14.460  3.8619 318.141 29.065 253.249 37.110 64.89131       47.13685 
1 1 1 8   34 7  o 134.502 40.966 4.1069  2.5435 4.1069  2.5435  0.0000  0.0000 134.502 40.966 ?       ?      0.000000       40.96605 
1 1 1 8   34 8  o 167.024 45.453 6.5856  3.3009 6.5856  3.3009  0.0000  0.0000 167.024 45.453 ?       ?      0.000000       45.45279 
1 1 1 8   34 9  o 417.104 31.140 38.531  5.4608 0.0000  0.0000  38.531  5.4608 ?       ?      417.104 31.140 0.000000       31.13952 
1 1 1 8   34 10 o 339.181 33.075 25.825  4.6904 0.0000  0.0000  25.825  4.6904 ?       ?      339.181 33.075 0.000000       33.07497 
1 1 1 8   34 11 o 95.672  34.920 1.7602  1.8402 0.2592  2.9738  2.6916  2.3426 95.220  40.928 112.795 39.608 -17.57537      56.95527 
1 1 1 8   34 12 o 203.048 28.843 9.2729  2.4104 6.9263  3.5839  11.211  3.2572 167.980 47.989 220.219 36.183 -52.23814      60.10163 
1 1 1 8   34 13 o 290.884 25.629 18.726  3.1249 19.365  4.4586  18.110  4.3809 289.168 37.277 279.025 38.068 10.14371       53.27961 
1 1 1 8   34 14 o 144.038 34.766 4.9104  2.0965 4.7390  3.0505  5.0639  2.8861 140.005 45.188 144.113 43.581 -4.107880      62.78005 
1 1 1 8   34 15 o 283.871 25.131 17.937  2.9899 16.210  4.1220  19.855  4.3434 261.635 38.340 291.722 35.916 -30.08768      52.53477 
1 1 1 8   34 16 o 484.709 23.015 51.614  4.7244 46.687  6.5164  57.074  6.8592 450.032 34.454 499.897 32.578 -49.86517      47.41741 
1 1 1 8   35 0  o 327.665 19.234 23.061  2.6573 33.456  4.2433  16.354  3.4083 392.871 25.645 272.769 30.001 120.1018       39.46808 
1 1 1 8   35 1  o 456.764 17.710 44.601  3.4257 43.951  5.3483  45.054  4.4609 449.315 28.251 456.991 23.125 -7.676453      36.50922 
1 1 1 8   35 2  o 164.287 28.951 6.0256  1.9406 4.7350  2.9413  7.0205  2.5825 144.299 44.077 175.627 35.933 -31.32755      56.86778 
1 1 1 8   35 3  o 282.765 26.874 17.474  3.1794 21.126  3.9182  10.432  5.4404 309.929 30.237 207.050 59.118 102.8790       66.40237 
1 1 1 8   35 4  o 227.681 24.791 11.328  2.3518 9.6414  3.6315  12.547  3.0864 203.586 43.444 237.624 31.443 -34.03804      53.62838 
1 1 1 8   35 5  o 255.557 25.271 14.266  2.6992 13.442  3.7449  15.157  3.8939 243.616 37.501 259.405 36.452 -15.78894      52.29795 
1 1 1 8   35 6  o 155.214 44.876 5.6248  3.1167 5.6248  3.1167  0.0000  0.0000 155.214 44.876 ?       ?      0.000000       44.87605 
1 1 1 8   35 7  o 165.303 44.363 6.4507  3.1704 6.4507  3.1704  0.0000  0.0000 165.303 44.363 ?       ?      0.000000       44.36280 
1 1 1 8   35 8  o 347.078 31.657 26.805  4.6019 0.0000  0.0000  26.805  4.6019 ?       ?      347.078 31.657 0.000000       31.65715 
1 1 1 8   35 9  o 102.904 38.742 1.9215  2.2966 0.0000  0.0000  1.9215  2.2966 ?       ?      102.904 38.742 0.000000       38.74169 
1 1 1 8   35 10 o 260.136 25.880 14.964  2.8132 12.078  3.9869  17.825  3.9700 225.032 43.409 279.957 34.197 -54.92436      55.26064 
1 1 1 8   35 11 o 208.808 27.524 9.7577  2.3746 5.4703  3.2496  14.670  3.4785 150.603 46.384 253.944 33.135 -103.3408      57.00340 
1 1 1 8   35 12 o 187.553 31.980 8.0714  2.4490 4.8245  3.5844  10.914  3.3539 143.064 49.064 215.618 38.125 -72.55429      62.13493 
1 1 1 8   35 13 o 203.603 29.344 9.4265  2.4571 10.456  3.5012  8.4274  3.4491 208.255 41.158 184.602 44.615 23.65280       60.69944 
1 1 1 8   35 14 o 607.401 22.457 80.930  5.7765 76.868  7.9546  85.461  8.4021 580.348 32.496 611.941 32.539 -31.59296      45.98666 
1 1 1 8   35 15 o 222.142 30.318 11.310  2.7777 13.810  4.0543  9.0980  3.8133 238.426 41.671 188.801 47.681 49.62483       63.32412 
1 1 1 8   36 0  o 545.136 16.672 63.512  3.8490 67.690  6.1164  60.773  4.9525 559.177 25.829 531.431 22.006 27.74640       33.93188 
1 1 1 8   36 1  o 220.716 23.217 10.614  2.1376 11.209  3.3275  10.196  2.7893 222.525 36.581 213.694 31.790 8.831375       48.46438 
1 1 1 8   36 2  o 163.149 28.658 5.9535  1.9078 3.6290  2.8161  7.9251  2.5936 129.360 43.494 187.135 33.978 -57.77553      55.19255 
1 1 1 8   36 3  o 368.069 18.941 29.130  2.9423 31.811  4.6440  27.332  3.8031 380.865 29.010 354.298 25.518 26.56750       38.63615 
1 1 1 8   36 4  o 513.344 17.671 56.446  3.8417 58.819  6.2306  54.990  4.8796 518.596 28.479 504.755 22.827 13.84030       36.49849 
1 1 1 8   36 5  o 358.951 30.881 28.473  4.6486 28.473  4.6486  0.0000  0.0000 358.951 30.881 ?       ?      0.000000       30.88078 
1 1 1 8   36 6  o 254.456 35.379 14.647  3.7093 14.647  3.7093  0.0000  0.0000 254.456 35.379 ?       ?      0.000000       35.37898 
1 1 1 8   36 7  o 141.616 41.184 4.6917  2.6181 0.0000  0.0000  4.6917  2.6181 ?       ?      141.616 41.184 0.000000       41.18413 
1 1 1 8   36 8  o 193.695 39.834 8.8289  3.1584 0.0000  0.0000  8.8289  3.1584 ?       ?      193.695 39.834 0.000000       39.83410 
1 1 1 8   36 9  o 110.229 35.834 2.7124  1.9160 6.6227  2.9112  -0.2759 2.5449 166.199 41.490 84.410  37.048 81.78916       55.62364 
1 1 1 8   36 10 o 160.319 31.249 5.9093  2.0453 3.0303  2.8112  9.1476  2.9814 119.734 43.243 197.817 36.947 -78.08234      56.87749 
1 1 1 8   36 11 o 284.482 24.542 17.865  2.9278 17.441  4.1306  18.292  4.1505 274.584 36.420 281.825 35.568 -7.240662      50.90715 
1 1 1 8   36 12 o 200.794 30.257 9.2106  2.4930 13.460  3.6836  5.6194  3.3865 239.175 37.609 150.669 47.506 88.50607       60.59036 
1 1 1 8   36 13 o 243.251 26.340 13.285  2.6701 15.498  3.9183  11.367  3.6483 256.177 37.205 216.193 41.355 39.98361       55.62796 
1 1 1 8   36 14 o 230.508 28.638 12.091  2.7353 9.3693  3.8636  14.825  3.8731 191.138 47.843 249.586 37.829 -58.44815      60.99169 
1 1 1 8   36 15 o 350.182 24.338 27.233  3.5869 22.361  4.9342  32.692  5.2235 306.424 38.899 376.654 33.083 -70.22995      51.06492 
1 1 1 8   37 0  o 109.858 34.987 2.6457  1.8333 4.5009  2.7342  1.1304  2.4710 140.084 42.432 97.098  39.108 42.98587       57.70518 
1 1 1 8   37 1  f 108.580 34.835 2.5746  1.8149 1.0382  2.7806  3.7149  2.3956 100.373 41.092 128.322 39.875 -27.94839      57.25924 
1 1 1 8   37 2  o 236.752 22.824 12.211  2.2601 15.764  3.6011  9.9020  2.9029 265.701 32.693 209.359 33.901 56.34109       47.09700 
1 1 1 8   37 3  o 364.239 18.787 28.557  2.8880 23.076  4.4645  32.501  3.7871 321.666 33.253 387.024 23.213 -65.35791      40.55421 
1 1 1 8   37 4  o 249.840 34.991 14.109  3.6006 14.109  3.6006  0.0000  0.0000 249.840 34.991 ?       ?      0.000000       34.99079 
1 1 1 8   37 5  f 282.892 21.625 17.388  2.5711 15.203  3.7731  19.282  3.5130 258.965 35.326 295.341 28.439 -36.37628      45.35051 
1 1 1 8   37 6  o 266.771 35.041 16.174  3.8630 0.0000  0.0000  16.174  3.8630 ?       ?      266.771 35.041 0.000000       35.04075 
1 1 1 8   37 7  o 303.573 35.666 21.036  4.4979 0.0000  0.0000  21.036  4.4979 ?       ?      303.573 35.666 0.000000       35.66628 
1 1 1 8   37 8  f 305.681 22.925 20.474  2.9460 15.216  4.1824  25.652  4.1505 254.531 40.130 338.949 29.200 -84.41803      49.62896 
1 1 1 8   37 9  o 180.237 28.725 7.3589  2.1190 6.9246  3.0224  7.7788  2.9716 169.143 42.303 180.503 39.932 -11.36034      58.17356 
1 1 1 8   37 10 o 278.749 24.776 17.185  2.8942 21.835  4.1847  12.921  4.0072 310.045 32.347 232.115 42.326 77.93005       53.27091 
1 1 1 8   37 11 o 205.893 28.460 9.6061  2.4152 9.9252  3.5006  9.3163  3.3364 201.940 42.289 195.946 41.498 5.993973       59.24898 
1 1 1 8   37 12 o 228.232 27.491 11.777  2.6036 11.028  3.7083  12.505  3.6564 211.717 42.831 228.260 39.240 -16.54292      58.08786 
1 1 1 8   37 13 o 219.017 27.787 10.900  2.5193 9.7264  3.5928  12.035  3.5335 197.023 44.153 223.629 38.713 -26.60629      58.72137 
1 1 1 8   37 14 o 235.832 25.601 12.499  2.5158 14.844  3.4381  9.7959  3.6911 252.743 32.902 196.902 45.218 55.84071       55.92144 
1 1 1 8   38 0  o 111.487 36.409 2.7127  1.9772 1.9687  2.9540  3.3165  2.6611 111.174 43.398 123.910 42.277 -12.73643      60.58694 
1 1 1 8   38 1  o 122.796 33.855 3.4520  1.8174 3.6583  2.8619  3.3125  2.3526 129.192 43.844 122.125 39.707 7.067192       59.15205 
1 1 1 8   38 2  o 270.714 25.192 16.066  2.8549 17.773  3.6070  13.202  4.6713 282.634 30.625 234.672 48.603 47.96249       57.44707 
1 1 1 8   38 3  o 347.963 23.970 26.413  3.5107 32.128  4.4225  16.674  5.7727 382.205 27.507 260.513 54.094 121.6919       60.68611 
1 1 1 8   38 4  o 82.532  32.747 0.9061  1.7063 1.7999  2.5270  0.1571  2.3133 104.108 40.279 84.639  36.231 19.46841       54.17631 
1 1 1 8   38 5  o 133.318 46.682 3.9513  3.2530 0.0000  0.0000  3.9513  3.2530 ?       ?      133.318 46.682 0.000000       46.68247 
1 1 1 8   38 6  o 107.622 36.259 2.5298  1.9572 2.2321  2.9161  2.7738  2.6401 111.969 43.283 115.632 41.884 -3.662483      60.23064 
1 1 1 8   38 7  o 148.316 36.775 5.2096  2.2984 6.0235  3.0877  4.1982  3.4419 157.136 44.423 135.771 47.979 21.36484       65.38676 
1 1 1 8   38 8  o 202.231 28.116 9.2188  2.3428 11.941  3.3287  6.5465  3.2979 226.696 35.866 162.931 45.857 63.76439       58.21761 
1 1 1 8   38 9  o 78.363  31.416 0.7844  1.5866 3.2491  2.1859  -1.9596 2.3065 118.721 38.245 68.230  31.936 50.49078       49.82590 
1 1 1 8   38 10 o 146.496 33.849 5.0692  2.0578 1.7910  3.1515  7.5055  2.7169 108.655 44.024 177.310 37.361 -68.65462      57.74062 
1 1 1 8   38 11 o 100.869 35.967 2.1619  1.9384 1.0502  2.9686  2.9882  2.5594 99.591  41.763 115.818 41.325 -16.22710      58.75302 
1 1 1 8   38 12 o 119.904 37.045 3.4323  2.0710 6.4766  3.2061  1.2528  2.7129 159.407 45.338 98.053  40.417 61.35378       60.73777 
1 1 1 8   38 13 o 149.408 35.133 5.3742  2.1856 4.4421  3.1998  6.1894  2.9926 134.589 46.345 156.499 43.555 -21.91069      63.59998 
1 1 1 8   39 0  o 360.873 22.404 28.314  3.4071 31.509  4.1917  22.094  5.8488 378.939 26.283 305.599 46.673 73.34000       53.56480 
1 1 1 8   39 1  f 183.838 31.981 7.6872  2.3994 6.5009  2.9559  9.9790  4.1084 165.332 42.103 202.493 48.540 -37.16127      64.25582 
1 1 1 8   39 2  o 194.402 32.658 8.6144  2.5933 12.563  3.2542  1.7427  4.2928 235.126 33.640 121.742 50.568 113.3839       60.73518 
1 1 1 8   39 3  o 91.177  37.319 0.9007  2.2927 0.0000  0.0000  0.9007  2.2927 ?       ?      91.177  37.319 0.000000       37.31899 
1 1 1 8   39 4  o 195.052 42.359 9.1323  3.3987 0.0000  0.0000  9.1323  3.3987 ?       ?      195.052 42.359 0.000000       42.35893 
1 1 1 8   39 5  o 200.978 26.015 9.0223  2.1622 9.8059  3.3104  8.4392  2.8555 203.112 39.909 189.541 36.902 13.57072       54.35491 
1 1 1 8   39 6  o 219.320 25.375 10.712  2.3133 16.718  3.4518  5.8147  3.1168 271.887 30.505 153.988 44.980 117.8981       54.34818 
1 1 1 8   39 7  o 183.625 32.061 7.7796  2.4025 7.1978  3.2515  8.4791  3.5655 170.840 44.499 184.940 45.771 -14.10034      63.83695 
1 1 1 8   39 8  o 286.025 24.068 18.092  2.8882 16.104  4.0698  20.110  4.0995 261.858 37.794 296.168 33.260 -34.30975      50.34470 
1 1 1 8   39 9  o 64.315  28.595 -0.4088 1.5633 -0.2473 2.2310  -0.5647 2.1912 78.543  34.575 75.305  33.641 3.238342       48.24075 
1 1 1 8   39 10 o 67.467  29.640 -0.2141 1.6324 -1.2922 2.5056  0.5810  2.1517 75.313  34.557 84.433  35.489 -9.120140      49.53421 
1 1 1 8   39 11 o 168.959 30.298 6.6527  2.0882 1.5868  3.0534  11.104  2.8623 104.474 42.949 218.355 31.894 -113.8810      53.49670 
1 1 1 8   39 12 o 140.546 33.863 4.7439  1.9917 1.8984  2.9195  7.2210  2.7240 105.885 42.558 171.643 38.431 -65.75857      57.34194 
1 1 1 8   40 0  o 200.138 31.921 9.1281  2.6146 10.888  3.2228  5.7387  4.4720 216.835 36.386 155.518 54.718 61.31667       65.71117 
1 1 1 8   40 1  o 176.391 36.342 7.2855  2.6244 0.0000  0.0000  7.2855  2.6244 ?       ?      176.391 36.342 0.000000       36.34187 
1 1 1 8   40 2  o 147.467 39.245 5.1940  2.4940 0.0000  0.0000  5.1940  2.4940 ?       ?      147.467 39.245 0.000000       39.24519 
1 1 1 8   40 3  o 146.777 46.388 5.2318  3.2276 0.0000  0.0000  5.2318  3.2276 ?       ?      146.777 46.388 0.000000       46.38808 
1 1 1 8   40 4  o 224.690 23.525 11.171  2.2053 10.930  3.4314  11.341  2.8785 214.482 39.223 222.826 31.372 -8.344131      50.22614 
1 1 1 8   40 5  o 291.478 20.994 18.591  2.5741 20.623  3.9415  17.079  3.3992 301.319 31.347 274.948 29.663 26.37073       43.15688 
1 1 1 8   40 6  o 94.847  34.475 1.7962  1.7910 0.8894  2.5276  2.7107  2.5381 93.384  38.797 113.110 41.052 -19.72662      56.48422 
1 1 1 8   40 7  o 183.197 31.888 7.7764  2.3841 3.4801  3.2416  12.838  3.5187 125.767 46.279 233.530 36.797 -107.7631      59.12521 
1 1 1 8   40 8  o 172.445 29.548 6.8540  2.0803 5.5435  2.9333  8.1802  2.9506 149.176 43.652 183.679 39.131 -34.50323      58.62376 
1 1 1 8   40 9  f 80.418  32.287 0.8844  1.6783 0.4979  2.6590  1.1403  2.1638 90.686  38.832 90.220  36.505 0.4652481      53.29723 
1 1 1 8   40 10 o 210.100 26.503 10.030  2.3057 8.3700  3.2538  11.704  3.2676 182.096 42.899 221.196 36.130 -39.10001      56.08689 
1 1 1 8   40 11 o 71.541  30.818 0.1057  1.6932 1.6021  2.4770  -1.2068 2.3199 98.323  39.312 72.249  33.188 26.07337       51.44813 
1 1 1 8   40 12 o 146.057 45.326 5.4626  3.0964 5.4626  3.0964  0.0000  0.0000 146.057 45.326 ?       ?      0.000000       45.32602 
1 1 1 8   41 0  o 405.138 24.013 36.132  4.1016 0.0000  0.0000  36.132  4.1016 ?       ?      405.138 24.013 0.000000       24.01301 
1 1 1 8   41 1  o 89.033  38.213 0.2979  2.5855 0.0000  0.0000  0.2979  2.5855 ?       ?      89.033  38.213 0.000000       38.21274 
1 1 1 8   41 2  o 215.576 26.404 10.425  2.3601 7.9241  3.1547  13.605  3.5568 180.063 42.120 241.421 35.880 -61.35829      55.33074 
1 1 1 8   41 3  o 145.150 30.731 4.8990  1.8302 9.5570  2.7846  1.3565  2.4284 202.757 33.607 96.652  38.825 106.1048       51.35010 
1 1 1 8   41 4  o 160.902 31.126 6.0085  2.0443 7.5510  3.1918  4.9358  2.6619 174.783 43.336 142.307 41.567 32.47649       60.04881 
1 1 1 8   41 5  o 315.181 20.149 21.713  2.6754 22.004  4.1801  21.512  3.4819 309.899 32.327 310.050 26.781 -0.1510620     41.97916 
1 1 1 8   41 6  o 94.693  34.923 1.7729  1.8474 0.0000  2.6279  3.5050  2.5976 86.680  37.855 122.657 41.770 -35.97739      56.37125 
1 1 1 8   41 7  o 254.124 26.246 14.539  2.7839 9.4901  3.7442  20.781  4.1630 192.813 46.413 299.053 33.444 -106.2406      57.20673 
1 1 1 8   41 8  o 214.124 26.738 10.420  2.3718 9.4001  3.6884  11.139  3.0970 191.115 46.104 216.561 34.959 -25.44594      57.85948 
1 1 1 8   41 9  o 194.855 35.673 9.1352  2.8352 9.2426  3.3238  8.8483  5.4325 191.680 42.098 174.296 60.366 17.38402       73.59564 
1 1 1 8   41 10 o 61.416  28.234 -0.9905 1.6833 -0.0000 2.5368  -1.7699 2.2501 84.292  36.993 67.319  31.521 16.97262       48.60050 
1 1 1 8   41 11 o 180.083 44.894 8.3739  3.4118 8.3739  3.4118  0.0000  0.0000 180.083 44.894 ?       ?      0.000000       44.89423 
1 1 1 8   42 0  o 157.686 41.811 6.1268  2.8376 0.0000  0.0000  6.1268  2.8376 ?       ?      157.686 41.811 0.000000       41.81148 
1 1 1 8   42 1  o 227.614 26.306 11.639  2.4890 12.004  3.3545  11.193  3.7125 225.644 36.338 213.892 42.483 11.75195       55.90405 
1 1 1 8   42 2  o 91.794  34.041 1.6265  1.7600 -0.9103 2.9032  3.1006  2.2130 84.374  38.120 115.936 38.551 -31.56255      54.21557 
1 1 1 8   42 3  o 78.233  31.558 0.7722  1.6117 -0.5779 2.7323  1.4926  1.9958 83.968  37.535 92.654  35.810 -8.685570      51.87698 
1 1 1 8   42 4  o 77.509  32.100 0.5653  1.7225 2.1913  2.6911  -0.5632 2.2419 107.587 41.582 76.012  33.987 31.57495       53.70508 
1 1 1 8   42 5  o 196.086 26.017 8.6980  2.1071 12.024  3.4540  6.7263  2.6593 223.963 37.760 165.968 38.569 57.99501       53.97618 
1 1 1 8   42 6  o 186.495 27.765 7.9751  2.1260 6.0635  3.0447  9.7938  2.9698 154.185 44.290 202.201 36.002 -48.01526      57.07654 
1 1 1 8   42 7  o 134.993 40.322 4.5444  2.4818 7.6182  2.8951  -3.9750 4.8198 174.878 39.965 92.882  44.270 81.99587       59.64056 
1 1 1 8   42 8  o 68.033  30.258 -0.3570 1.7519 -2.6460 2.3886  2.3081  2.5773 64.936  31.009 106.362 40.803 -41.42651      51.24916 
1 1 1 8   42 9  o 209.781 26.676 10.065  2.3163 11.249  3.5327  9.1717  3.0678 212.257 40.783 192.435 38.980 19.82236       56.41547 
1 1 1 8   42 10 o 197.895 38.166 9.6250  3.0827 6.9812  3.6021  16.861  5.9591 161.382 48.662 242.359 58.685 -80.97704      76.23625 
1 1 1 8   43 0  o 154.897 36.570 5.7915  2.3605 2.9452  3.1263  9.5656  3.6000 118.576 45.069 195.172 44.538 -76.59608      63.36337 
1 1 1 8   43 1  o 123.268 36.825 3.6413  2.0699 4.1134  3.0713  3.2485  2.8017 130.970 45.388 119.914 43.190 11.05579       62.65295 
1 1 1 8   43 2  f 95.075  34.594 1.8525  1.8039 3.8614  2.6294  0.0661  2.4795 126.716 42.016 84.633  36.871 42.08262       55.90063 
1 1 1 8   43 3  o 355.577 18.382 27.579  2.7585 23.273  4.1984  30.850  3.6593 317.589 31.637 372.884 23.289 -55.29520      39.28434 
1 1 1 8   43 4  o 136.834 33.975 4.5125  1.9598 3.0042  3.0387  5.5867  2.5643 117.563 44.493 149.779 39.763 -32.21647      59.67208 
1 1 1 8   43 5  o 72.550  31.726 -0.0753 1.8511 -0.4151 2.6304  0.2580  2.6054 82.540  36.867 87.291  37.913 -4.751663      52.88280 
1 1 1 8   43 6  o 126.139 34.752 3.8823  1.9158 6.2648  2.8909  2.0168  2.5581 156.163 42.553 102.850 40.320 53.31242       58.62178 
1 1 1 8   43 7  o 222.275 24.555 11.182  2.2728 4.9623  3.3718  16.362  3.0767 138.226 47.576 267.160 27.591 -128.9337      54.99809 
1 1 1 8   43 8  o 143.298 34.749 5.0275  2.0870 2.6391  3.0328  7.1757  2.8763 112.500 43.958 168.012 40.826 -55.51237      59.99190 
1 1 1 8   43 9  o 81.420  35.852 -0.0578 2.4003 0.9983  2.7246  -3.7199 5.0736 94.521  39.842 95.571  45.515 -1.049904      60.48982 
1 1 1 8   44 0  o 336.927 19.362 24.884  2.7510 19.899  4.1802  28.692  3.6537 290.537 34.658 358.505 24.208 -67.96832      42.27541 
1 1 1 8   44 1  o 86.801  34.736 1.1400  1.9357 1.2644  2.8426  1.0324  2.6434 98.901  41.121 94.560  39.513 4.341270       57.02776 
1 1 1 8   44 2  o 202.316 25.931 9.3164  2.1706 10.951  3.3258  8.1038  2.8650 211.402 38.570 181.227 38.517 30.17525       54.50857 
1 1 1 8   44 3  o 147.637 32.981 5.2507  2.0101 4.2055  3.0755  6.0302  2.6558 129.842 45.395 154.494 40.204 -24.65178      60.63893 
1 1 1 8   44 4  o 76.633  32.233 0.4879  1.7771 0.2020  2.7387  0.6959  2.3356 88.149  38.567 86.950  36.782 1.199242       53.29511 
1 1 1 8   44 5  o 76.850  33.114 0.2336  1.9560 0.2082  2.7117  0.2611  2.8240 87.654  38.363 89.499  39.160 -1.845421      54.81994 
1 1 1 8   44 6  o 112.544 35.651 3.0697  1.9056 0.8639  2.9945  4.5709  2.4703 96.036  41.169 134.055 40.271 -38.01942      57.58983 
1 1 1 8   44 7  o 97.793  35.188 2.1035  1.8594 1.7986  2.7160  2.3726  2.5508 101.397 40.944 106.050 40.614 -4.653709      57.67099 
1 1 1 8   45 0  o 147.238 33.733 5.2746  2.0582 3.1587  2.9920  7.1753  2.8358 117.390 44.215 168.133 40.343 -50.74304      59.85407 
1 1 1 8   45 1  o 70.017  31.195 -0.3529 1.8706 0.1825  2.6407  -0.8922 2.6502 86.469  37.850 78.963  35.969 7.505432       52.21486 
1 1 1 8   45 2  o 168.427 34.198 6.9068  2.3560 6.0179  3.6919  7.5176  3.0601 148.318 49.800 170.114 42.577 -21.79659      65.51997 
1 1 1 8   45 3  o 216.286 28.192 10.868  2.5208 3.8606  3.4861  18.548  3.6496 125.653 47.632 280.630 31.239 -154.9770      56.96210 
1 1 1 8   45 4  o 142.294 32.554 4.9250  1.9192 5.7545  2.7919  4.1819  2.6424 148.368 42.346 127.933 42.106 20.43499       59.71700 
1 1 1 8   45 5  o 131.310 33.752 4.2412  1.8872 2.7244  2.8174  5.4757  2.5417 111.091 42.651 146.016 39.946 -34.92502      58.43644 
1 1 1 8   45 6  o 109.019 40.368 2.7042  2.4732 3.6789  2.8847  0.0002  4.8046 121.969 43.836 107.447 48.745 14.52246       65.55629 
1 1 1 8   46 0  o 164.418 32.140 6.5390  2.1577 10.687  3.0476  2.3704  3.0551 208.407 35.822 108.611 43.577 99.79591       56.41058 
1 1 1 8   46 1  o 113.529 37.378 3.1739  2.0822 3.5056  3.2714  2.9480  2.6997 120.599 46.040 112.437 42.068 8.161751       62.36506 
1 1 1 8   46 2  o 95.040  35.828 1.8892  1.9654 1.3291  2.9415  2.3409  2.6416 98.366  41.427 105.414 41.071 -7.047997      58.33507 
1 1 1 8   46 3  o 123.731 35.436 3.8230  1.9517 1.7531  3.1935  5.0570  2.4658 104.141 43.466 139.909 39.749 -35.76802      58.90044 
1 1 1 8   46 4  o 112.128 35.076 3.0861  1.8501 2.2044  2.8067  3.7637  2.4603 105.223 41.920 121.923 40.653 -16.70058      58.39524 
1 1 1 8   47 0  o 202.178 26.730 9.5123  2.2325 10.860  3.3893  8.4792  2.9672 205.251 40.431 181.287 39.744 23.96376       56.69473 
1 1 1 8   47 1  o 98.599  36.066 2.1843  1.9645 3.1398  2.8689  1.3407  2.6957 114.565 43.262 95.555  39.913 19.00936       58.86162 
1 1 1 8   47 2  o 134.412 34.996 4.5330  2.0116 4.4117  3.0095  4.6310  2.7045 129.201 44.921 132.422 42.528 -3.221176      61.85885 
1 1 1 9   0  0  o 424.721 22.338 38.581  3.9925 36.516  5.6458  40.646  5.6467 410.574 32.959 434.083 31.083 0.000000       0.000000 
1 1 1 9   0  1  o 613.501 22.749 80.166  5.8920 91.147  8.3899  69.480  8.2763 652.938 30.493 568.536 34.670 0.000000       0.000000 
1 1 1 9   0  2  o 1083.33 24.850 249.399 11.387 251.091 16.135  247.721 16.072 1085.05 35.198 1077.70 35.301 0.000000       0.000000 
1 1 1 9   0  3  o 53.533  33.092 0.4365  1.4804 0.0000  0.0000  0.4365  1.4804 53.533  33.092 53.533  33.092 0.000000       0.000000 
1 1 1 9   0  4  o 804.421 23.548 137.615 8.0063 143.282 11.352  132.007 11.293 819.222 32.842 785.907 34.077 0.000000       0.000000 
1 1 1 9   0  5  o 651.957 33.000 91.012  9.0581 91.012  9.0581  0.0000  0.0000 651.957 33.000 651.957 33.000 0.000000       0.000000 
1 1 1 9   0  6  o 586.088 23.121 73.207  5.7184 75.720  8.0705  70.673  8.1036 594.328 32.282 573.690 33.619 0.000000       0.000000 
1 1 1 9   0  7  o 861.863 24.033 157.987 8.7565 154.809 12.344  161.206 12.423 851.137 34.375 868.737 33.884 0.000000       0.000000 
1 1 1 9   0  8  o 629.568 23.329 84.452  6.2004 85.348  8.7860  83.563  8.7516 630.938 33.090 624.195 33.324 0.000000       0.000000 
1 1 1 9   0  9  o 584.196 23.341 72.777  5.7536 67.091  8.0607  78.683  8.2152 558.370 34.387 605.712 32.235 0.000000       0.000000 
1 1 1 9   0  10 o 307.750 24.866 20.498  3.1921 16.832  4.5302  24.114  4.4986 271.602 42.487 331.958 32.730 0.000000       0.000000 
1 1 1 9   0  11 o 1082.05 36.179 250.230 16.536 0.0000  0.0000  250.230 16.536 1082.05 36.179 1082.05 36.179 0.000000       0.000000 
1 1 1 9   0  12 o 967.051 35.171 199.988 14.361 199.988 14.361  0.0000  0.0000 967.051 35.171 967.051 35.171 0.000000       0.000000 
1 1 1 9   0  13 o 294.122 25.055 18.775  3.0687 23.054  4.4327  14.837  4.2524 324.071 33.089 253.174 43.521 0.000000       0.000000 
1 1 1 9   0  14 f 667.311 23.895 95.012  6.7330 94.692  9.4334  95.345  9.6128 663.671 33.763 665.813 34.300 0.000000       0.000000 
1 1 1 9   0  15 o 443.516 23.891 42.200  4.4576 46.990  6.3443  37.529  6.2644 465.809 32.526 414.203 36.357 0.000000       0.000000 
1 1 1 9   0  16 o 284.279 25.712 17.628  3.0372 16.505  4.2215  18.832  4.3730 269.264 39.512 289.596 37.369 0.000000       0.000000 
1 1 1 9   0  17 o 113.658 43.209 3.7522  1.9555 3.4510  2.8204  4.0310  2.7136 103.874 52.169 113.129 51.852 0.000000       0.000000 
1 1 1 9   0  18 o 76.636  39.908 1.8464  1.6879 2.1206  2.2753  1.5108  2.5172 83.200  45.413 77.056  45.361 0.000000       0.000000 
1 1 1 9   0  19 o 250.115 39.842 14.475  3.8992 14.475  3.8992  0.0000  0.0000 250.115 39.842 250.115 39.842 0.000000       0.000000 
1 1 1 9   0  20 o 534.436 24.105 61.397  5.4305 61.128  7.5573  61.685  7.8086 529.338 34.035 531.296 35.055 0.000000       0.000000 
1 1 1 9   0  21 o 134.761 42.545 4.9369  2.1343 4.9303  2.8131  4.9460  3.2762 126.377 52.638 123.620 56.959 0.000000       0.000000 
1 1 1 9   0  22 o 219.349 30.227 10.926  2.6560 7.3758  3.5096  15.685  4.0633 158.927 57.023 260.035 39.629 0.000000       0.000000 
1 1 1 9   0  23 o 261.797 39.664 15.894  4.0987 15.894  4.0987  0.0000  0.0000 261.797 39.664 261.797 39.664 0.000000       0.000000 
1 1 1 9   1  0  o 1096.17 17.482 254.993 8.1152 262.497 11.474  247.482 11.479 1111.02 24.386 1078.63 25.130 32.38647       35.01768 
1 1 1 9   1  1  o 1033.11 17.273 226.462 7.5571 232.692 10.695  220.250 10.679 1046.21 24.140 1017.75 24.777 28.46356       34.59261 
1 1 1 9   1  2  o 487.642 15.867 50.435  3.2768 47.575  4.6142  53.345  4.6542 473.181 23.027 501.135 21.930 -27.95410      31.79886 
1 1 1 9   1  3  o 263.937 23.597 14.920  2.6097 13.723  3.6697  16.145  3.7121 251.145 35.492 273.286 32.725 -22.14139      48.27617 
1 1 1 9   1  4  o 652.935 18.751 90.477  5.1848 93.594  6.3431  84.202  9.0001 663.750 22.566 627.360 34.002 36.38995       40.80919 
1 1 1 9   1  5  o 806.605 23.612 138.272 8.0656 140.786 11.394  135.747 11.419 812.461 33.115 797.669 33.804 14.79254       47.32124 
1 1 1 9   1  6  o 590.432 16.228 73.951  4.0577 73.415  5.7303  74.491  5.7465 587.744 23.022 592.045 22.919 -4.301147      32.48569 
1 1 1 9   1  7  o 366.217 16.481 28.455  2.5561 29.604  3.6068  27.296  3.6229 372.484 22.977 357.476 24.072 15.00854       33.27757 
1 1 1 9   1  8  o 1094.73 17.836 254.405 8.2691 253.382 11.684  255.432 11.705 1091.13 25.285 1095.55 25.228 -4.418335      35.71816 
1 1 1 9   1  9  o 556.616 16.482 65.755  3.8851 67.139  5.4795  64.355  5.5093 561.832 23.030 549.989 23.654 11.84296       33.01328 
1 1 1 9   1  10 o 930.792 17.343 183.944 6.8363 184.389 9.6517  183.497 9.6845 930.676 24.488 928.393 24.632 2.283081       34.73354 
1 1 1 9   1  11 o 1054.38 25.352 236.792 11.320 223.489 15.953  250.285 16.066 1020.99 36.896 1081.10 35.092 -60.11200      50.91927 
1 1 1 9   1  12 o 1086.84 25.314 251.677 11.651 263.449 16.433  239.777 16.521 1108.85 34.995 1057.16 36.903 51.68518       50.85730 
1 1 1 9   1  13 o 779.345 17.025 129.024 5.6192 128.523 7.9490  129.525 7.9444 776.564 24.171 779.607 24.063 -3.043091      34.10617 
1 1 1 9   1  14 o 558.318 16.768 66.254  3.9646 66.014  5.6154  66.493  5.5983 556.239 23.838 558.279 23.679 -2.039551      33.59982 
1 1 1 9   1  15 o 447.694 16.802 42.631  3.1856 41.841  4.5047  43.421  4.5055 441.831 24.166 450.217 23.714 -8.385864      33.85818 
1 1 1 9   1  16 f 360.792 17.286 27.713  2.6411 27.207  3.7747  28.199  3.6967 355.528 25.234 362.209 24.240 -6.680603      34.99069 
1 1 1 9   1  17 o 276.333 18.016 16.343  2.0967 16.439  3.0225  16.254  2.9111 275.525 26.220 274.153 25.361 1.372162       36.47831 
1 1 1 9   1  18 o 368.447 17.285 28.949  2.6971 30.037  3.8407  27.891  3.7884 373.232 24.434 359.430 25.045 13.80225       34.98958 
1 1 1 9   1  19 o 257.977 26.164 14.509  2.8189 15.511  3.9656  13.486  4.0079 263.405 36.534 243.962 40.193 19.44313       54.31518 
1 1 1 9   1  20 o 471.682 16.983 47.539  3.3923 46.244  4.8223  48.809  4.7730 462.258 24.723 475.911 23.682 -13.65329      34.23556 
1 1 1 9   1  21 o 525.107 16.996 59.002  3.7796 59.241  5.3715  58.768  5.3193 523.351 24.236 521.322 24.094 2.029236       34.17434 
1 1 1 9   1  22 o 158.909 22.856 5.5664  1.4939 8.6535  2.1378  2.6204  2.0883 197.804 26.162 110.810 37.453 86.99404       45.68616 
1 1 1 9   1  23 o 223.249 40.075 11.536  3.6497 0.0000  0.0000  11.536  3.6497 ?       ?      223.249 40.075 0.000000       40.07541 
1 1 1 9   2  0  o 646.853 15.948 88.761  4.3687 91.767  6.1542  85.707  6.2026 657.159 22.114 634.994 23.065 22.16449       31.95342 
1 1 1 9   2  1  o 845.361 16.580 151.604 5.9358 146.848 8.3551  156.451 8.4344 831.178 23.736 857.999 23.213 -26.82074      33.20005 
1 1 1 9   2  2  o 1566.59 19.858 521.016 13.175 518.535 18.597  523.516 18.667 1560.83 28.134 1568.31 28.106 -7.486328      39.76832 
1 1 1 9   2  3  o 129.193 29.447 3.6950  1.5753 4.5696  2.1237  2.6251  2.3489 143.510 35.208 115.843 39.718 27.66764       53.07677 
1 1 1 9   2  4  o 641.212 22.948 87.356  6.2316 90.407  8.8048  84.294  8.8208 651.279 31.923 627.834 33.295 23.44519       46.12637 
1 1 1 9   2  5  f 655.743 18.784 91.264  5.2163 86.690  6.3643  100.625 9.1051 638.677 23.530 687.127 31.290 -48.45026      39.15013 
1 1 1 9   2  6  o 207.359 18.141 9.1948  1.5770 7.1366  2.2127  11.320  2.2483 180.663 29.971 229.592 23.453 -48.92859      38.05618 
1 1 1 9   2  7  f 756.715 16.617 121.498 5.3253 126.404 7.5048  116.522 7.5576 771.122 22.981 740.223 24.109 30.89941       33.30729 
1 1 1 9   2  8  o 661.482 16.466 92.852  4.6127 88.967  6.5011  96.790  6.5456 646.742 23.736 674.680 22.909 -27.93811      32.98861 
1 1 1 9   2  9  o 1064.48 17.738 240.574 7.9964 230.300 11.246  251.079 11.372 1040.01 25.535 1086.10 24.724 -46.09253      35.54279 
1 1 1 9   2  10 o 416.338 16.588 36.794  2.9248 38.561  4.1274  35.011  4.1452 425.123 23.011 404.842 24.290 20.28064       33.45936 
1 1 1 9   2  11 o 669.936 23.707 95.526  6.7259 83.530  9.4262  107.968 9.5998 623.402 35.856 710.749 31.894 -87.34723      47.98792 
1 1 1 9   2  12 o 1021.49 24.940 222.286 10.789 209.607 15.124  235.425 15.396 988.660 36.122 1048.30 34.679 -59.63715      50.07412 
1 1 1 9   2  13 o 409.380 16.881 35.600  2.9267 36.053  4.1523  35.153  4.1257 410.626 23.982 405.420 24.139 5.205505       34.02713 
1 1 1 9   2  14 o 634.148 16.862 85.479  4.5285 85.653  6.3849  85.304  6.4237 633.589 23.796 632.257 23.991 1.331848       33.79086 
1 1 1 9   2  15 o 733.928 17.047 114.587 5.2985 109.318 7.4520  119.975 7.5352 715.062 24.609 749.354 23.744 -34.29114      34.19621 
1 1 1 9   2  16 o 333.701 17.602 23.778  2.4788 22.655  3.5215  24.881  3.4897 324.116 25.871 340.094 24.392 -15.97855      35.55663 
1 1 1 9   2  17 o 437.928 17.050 40.849  3.1621 44.126  4.5212  37.711  4.4242 453.332 23.632 418.626 25.071 34.70627       34.45327 
1 1 1 9   2  18 o 256.852 18.354 14.152  1.9833 13.290  2.8538  14.957  2.7583 246.793 27.789 262.659 25.104 -15.86574      37.44850 
1 1 1 9   2  19 o 248.679 26.556 13.504  2.7535 12.635  3.9372  14.337  3.8522 235.675 40.933 252.858 37.075 -17.18298      55.22752 
1 1 1 9   2  20 o 437.756 17.080 40.952  3.1664 41.250  4.4873  40.656  4.4686 436.641 24.364 433.448 24.444 3.192780       34.51234 
1 1 1 9   2  21 o 109.118 27.328 2.6893  1.2601 -0.0241 1.8252  5.1605  1.7419 74.621  32.069 151.683 28.153 -77.06197      42.67319 
1 1 1 9   2  22 o 254.073 18.623 13.937  1.9898 16.485  2.9410  11.785  2.7022 274.208 25.623 230.577 28.265 43.63087       38.15047 
1 1 1 9   3  0  o 1022.24 17.122 221.733 7.4122 220.895 10.403  222.596 10.564 1019.26 24.100 1023.12 24.381 -3.867859      34.28220 
1 1 1 9   3  1  o 447.021 15.754 42.384  2.9823 40.297  4.1860  44.535  4.2500 434.885 22.809 457.864 21.918 -22.97852      31.63299 
1 1 1 9   3  2  o 648.360 16.029 89.162  4.4011 87.144  6.1684  91.254  6.2813 640.436 22.743 655.374 22.632 -14.93829      32.08508 
1 1 1 9   3  3  o 213.903 36.383 10.036  3.1777 0.0000  0.0000  10.036  3.1777 ?       ?      213.903 36.383 0.000000       36.38274 
1 1 1 9   3  4  o 456.641 32.917 44.690  6.3229 0.0000  0.0000  44.690  6.3229 ?       ?      456.641 32.917 0.000000       32.91679 
1 1 1 9   3  5  o 951.731 19.756 192.298 7.9627 198.336 9.7313  180.064 13.852 965.992 23.788 918.275 35.619 47.71692       42.83221 
1 1 1 9   3  6  o 975.353 17.242 201.856 7.1220 187.649 9.9963  216.502 10.150 939.305 25.130 1009.18 23.749 -69.87207      34.57598 
1 1 1 9   3  7  o 153.578 20.923 5.1024  1.3254 5.0929  1.8431  5.1125  1.9073 152.010 29.696 152.169 30.656 -0.1589050     42.68108 
1 1 1 9   3  8  o 872.136 16.989 161.433 6.2748 166.174 8.8648  156.673 8.8831 883.881 23.683 858.115 24.444 25.76672       34.03506 
1 1 1 9   3  9  o 368.073 16.698 28.755  2.6029 24.973  3.6245  32.783  3.7402 341.572 25.235 391.971 22.628 -50.39899      33.89495 
1 1 1 9   3  10 o 389.822 16.675 32.258  2.7528 30.833  3.8745  33.711  3.9118 379.829 24.213 397.351 23.349 -17.52206      33.63752 
1 1 1 9   3  11 o 1586.42 23.484 535.622 15.778 532.353 27.318  537.258 19.327 1573.41 40.998 1586.83 28.760 -13.41211      50.07931 
1 1 1 9   3  12 o 1184.53 25.930 299.067 13.007 309.247 18.311  288.699 18.480 1200.86 36.006 1159.61 37.632 41.25537       52.08230 
1 1 1 9   3  13 o 341.589 17.464 24.857  2.5179 23.597  3.5546  26.126  3.5672 331.647 25.504 349.267 24.268 -17.61966      35.20512 
1 1 1 9   3  14 o 722.661 16.978 111.017 5.1958 106.036 7.2913  116.157 7.4061 704.782 24.429 737.828 23.702 -33.04559      34.03794 
1 1 1 9   3  15 o 459.928 16.978 45.000  3.3069 45.084  4.7077  44.918  4.6462 458.613 24.326 457.829 24.048 0.7838745      34.20614 
1 1 1 9   3  16 o 435.021 17.013 40.286  3.1342 41.696  4.4419  38.888  4.4230 440.807 23.883 425.476 24.653 15.33109       34.32448 
1 1 1 9   3  17 o 176.113 26.796 6.8086  1.9355 7.6674  3.7114  6.4877  2.2683 182.743 47.514 170.504 32.602 12.23868       57.62375 
1 1 1 9   3  18 o 212.426 19.402 9.7198  1.7262 7.4768  2.4548  11.914  2.4277 182.948 32.894 234.202 24.858 -51.25363      41.22969 
1 1 1 9   3  19 o 274.823 20.975 16.289  2.4227 11.957  4.1249  18.571  2.9935 227.793 44.355 292.651 24.375 -64.85728      50.61120 
1 1 1 9   3  20 o 551.920 16.983 65.094  3.9695 60.436  5.5809  69.864  5.6471 529.037 24.910 569.451 23.417 -40.41418      34.18856 
1 1 1 9   3  21 o 56.066  23.800 0.0450  0.9833 -0.0747 1.4058  0.1596  1.3759 65.136  28.069 67.213  28.321 -2.077286      39.87450 
1 1 1 9   3  22 o 193.442 23.579 8.2177  1.8916 9.1526  2.3251  6.3874  3.2533 202.969 27.779 164.008 45.329 38.96088       53.16407 
1 1 1 9   4  0  o 405.535 15.612 34.884  2.6812 34.563  3.7524  35.218  3.8323 402.718 22.087 406.499 22.347 -3.781128      31.42025 
1 1 1 9   4  1  o 565.756 15.827 67.890  3.7921 70.717  5.3246  64.981  5.4019 576.976 21.792 552.976 23.067 23.99976       31.73283 
1 1 1 9   4  2  o 534.319 15.787 60.552  3.5722 60.027  5.0050  61.096  5.1001 531.573 22.233 536.269 22.457 -4.695190      31.60087 
1 1 1 9   4  3  o 855.964 33.374 156.257 12.098 0.0000  0.0000  156.257 12.098 ?       ?      855.964 33.374 0.000000       33.37386 
1 1 1 9   4  4  o 1350.38 38.100 389.783 21.788 0.0000  0.0000  389.783 21.788 ?       ?      1350.38 38.100 0.000000       38.09954 
1 1 1 9   4  5  o 783.985 16.501 130.385 5.4784 128.301 7.6773  132.547 7.8198 776.982 23.332 789.729 23.382 -12.74646      33.03160 
1 1 1 9   4  6  o 576.262 16.166 70.446  3.9452 71.982  5.5461  68.873  5.6133 582.008 22.502 569.224 23.286 12.78326       32.38140 
1 1 1 9   4  7  o 417.303 16.253 36.947  2.8722 38.745  4.0459  35.121  4.0782 426.360 22.487 405.697 23.841 20.66278       32.77333 
1 1 1 9   4  8  o 890.333 17.036 168.246 6.4234 162.445 9.0225  174.208 9.1468 873.769 24.383 904.941 23.867 -31.17206      34.12008 
1 1 1 9   4  9  o 253.215 17.737 13.680  1.8900 16.362  2.6807  11.028  2.6652 276.392 23.115 225.669 28.525 50.72249       36.71426 
1 1 1 9   4  10 o 301.157 20.121 19.360  2.5514 17.838  3.0952  22.586  4.5065 288.274 25.620 323.294 33.397 -35.02014      42.09204 
1 1 1 9   4  11 o 615.651 16.560 80.462  4.3175 71.914  6.0421  89.381  6.1718 581.145 24.550 648.181 22.484 -67.03607      33.29046 
1 1 1 9   4  12 o 1129.29 25.557 271.790 12.223 279.370 17.176  264.014 17.397 1141.50 35.530 1109.09 37.039 32.40906       51.32529 
1 1 1 9   4  13 o 471.467 16.779 47.220  3.3501 49.604  4.7382  44.836  4.7375 482.512 23.188 457.935 24.518 24.57712       33.74591 
1 1 1 9   4  14 o 880.271 17.358 164.762 6.4708 164.945 9.1094  164.576 9.1933 878.954 24.473 877.894 24.728 1.059937       34.79045 
1 1 1 9   4  15 o 272.729 18.635 15.912  2.1394 14.758  3.0015  17.104  3.0502 260.983 27.575 281.521 25.874 -20.53784      37.81304 
1 1 1 9   4  16 o 355.734 17.467 26.948  2.6314 27.371  3.6739  26.502  3.7707 356.740 24.466 350.753 25.561 5.986572       35.38296 
1 1 1 9   4  17 o 537.159 24.606 61.863  5.5974 54.307  7.8227  69.789  8.0126 498.009 37.364 566.617 33.541 -68.60788      50.21044 
1 1 1 9   4  18 o 134.885 24.211 4.0219  1.3322 3.6012  1.8305  4.4956  1.9424 126.440 33.609 141.100 33.082 -14.65939      47.15905 
1 1 1 9   4  19 o 254.466 21.152 13.985  2.2588 12.384  3.8084  14.853  2.8055 233.550 39.940 261.122 25.703 -27.57257      47.49598 
1 1 1 9   4  20 o 241.513 19.129 12.571  1.9404 11.852  2.7747  13.259  2.7147 231.862 28.884 246.167 26.455 -14.30505      39.16864 
1 1 1 9   4  21 o 274.327 21.799 16.315  2.5116 15.545  4.5644  16.649  3.0080 259.342 43.070 275.785 26.064 -16.44345      50.34222 
1 1 1 9   4  22 o 143.109 34.802 4.7272  2.0889 4.2045  3.2112  5.1105  2.7503 137.322 46.444 147.757 41.979 -10.43532      62.60418 
1 1 1 9   5  0  o 470.342 15.535 46.922  3.0944 45.070  4.3271  48.861  4.4270 460.563 22.185 479.567 21.798 -19.00470      31.10200 
1 1 1 9   5  1  o 1078.87 17.324 246.961 7.9154 239.559 11.100  254.618 11.290 1061.47 24.693 1094.38 24.361 -32.91321      34.68720 
1 1 1 9   5  2  o 600.876 15.858 76.577  4.0353 79.566  5.6745  73.519  5.7397 612.034 21.893 588.217 23.041 23.81726       31.78373 
1 1 1 9   5  3  o 1903.11 43.852 776.499 35.342 0.0000  0.0000  776.499 35.342 ?       ?      1903.11 43.852 0.000000       43.85164 
1 1 1 9   5  4  o 842.788 33.884 151.538 12.094 0.0000  0.0000  151.538 12.094 ?       ?      842.788 33.884 0.000000       33.88400 
1 1 1 9   5  5  o 465.216 15.937 45.907  3.1398 42.156  4.3774  49.882  4.5062 444.761 23.322 484.560 21.959 -39.79874      32.03313 
1 1 1 9   5  6  o 1643.19 20.358 573.434 14.166 573.852 19.951  573.010 20.119 1641.39 28.702 1640.09 28.966 1.294556       40.77760 
1 1 1 9   5  7  o 590.922 16.234 74.089  4.0625 77.232  5.7243  70.900  5.7663 602.772 22.425 577.416 23.581 25.35583       32.54124 
1 1 1 9   5  8  o 1062.80 17.672 239.790 7.9541 231.095 11.172  248.727 11.327 1041.94 25.320 1081.09 24.740 -39.14929      35.39987 
1 1 1 9   5  9  f 433.736 16.344 39.928  3.0021 39.111  4.2115  40.772  4.2804 428.133 23.316 437.172 23.203 -9.038391      32.89423 
1 1 1 9   5  10 o 343.429 23.803 25.222  3.4405 22.416  4.7909  28.210  4.9438 321.572 35.787 361.817 32.615 -40.24542      48.41982 
1 1 1 9   5  11 o 1078.25 17.828 246.913 8.1408 246.196 11.460  247.643 11.567 1075.09 25.170 1078.21 25.332 -3.114502      35.71030 
1 1 1 9   5  12 o 635.291 19.096 85.773  5.1375 85.746  6.2684  85.829  8.9665 634.619 23.324 632.213 33.611 2.405762       40.91056 
1 1 1 9   5  13 o 554.209 16.776 65.252  3.9374 61.994  5.5413  68.575  5.5957 539.223 24.266 567.279 23.292 -28.05609      33.63592 
1 1 1 9   5  14 o 577.092 16.793 70.800  4.1041 72.819  5.7730  68.737  5.8356 584.182 23.335 567.392 24.286 16.79047       33.67989 
1 1 1 9   5  15 o 483.906 16.983 49.821  3.4803 47.903  4.8614  51.839  4.9847 472.693 24.368 492.455 23.902 -19.76172      34.13350 
1 1 1 9   5  16 o 397.090 17.108 33.572  2.8769 31.362  3.9618  36.038  4.1844 381.909 24.627 409.590 24.231 -27.68048      34.54893 
1 1 1 9   5  17 o 406.342 25.497 35.572  4.3653 36.351  6.2052  34.808  6.1423 407.245 36.362 398.271 36.834 8.973694       51.75897 
1 1 1 9   5  18 o 474.916 24.256 48.582  4.8621 45.312  6.9652  51.690  6.7903 453.743 36.558 486.390 33.163 -32.64752      49.35848 
1 1 1 9   5  19 o 218.623 23.953 10.411  2.1813 8.4816  3.9020  11.288  2.6308 190.033 48.364 226.641 28.006 -36.60828      55.88765 
1 1 1 9   5  20 o 456.392 20.004 44.678  3.8663 46.805  6.7521  43.640  4.7160 459.971 34.924 448.833 24.909 11.13818       42.89685 
1 1 1 9   5  21 o 281.029 21.563 17.113  2.5467 13.867  4.3549  18.800  3.1394 244.224 43.711 293.326 25.527 -49.10208      50.61935 
1 1 1 9   5  22 o 260.508 27.990 14.997  3.0395 15.509  4.2930  14.482  4.3040 259.413 40.392 249.603 42.223 9.809937       58.43179 
1 1 1 9   6  0  o 685.270 18.444 99.669  5.3525 107.470 9.1819  95.653  6.5877 710.130 30.532 670.865 23.187 39.26514       38.33838 
1 1 1 9   6  1  o 897.956 16.628 171.053 6.3232 166.127 8.8668  176.150 9.0197 884.088 23.683 910.409 23.394 -26.32129      33.28913 
1 1 1 9   6  2  o 288.453 16.329 17.705  1.9865 18.517  2.7928  16.875  2.8261 294.367 22.575 280.756 24.000 13.61102       32.94886 
1 1 1 9   6  3  o 479.035 31.856 49.125  6.4258 0.0000  0.0000  49.125  6.4258 ?       ?      479.035 31.856 0.000000       31.85642 
1 1 1 9   6  4  f 960.466 34.611 196.893 14.078 0.0000  0.0000  196.893 14.078 ?       ?      960.466 34.611 0.000000       34.61060 
1 1 1 9   6  5  o 590.744 16.059 74.027  4.0175 68.534  5.6286  79.732  5.7362 567.835 23.406 612.594 22.111 -44.75934      32.19866 
1 1 1 9   6  6  o 514.159 16.039 56.082  3.4924 55.681  4.8985  56.497  4.9805 511.844 22.599 515.562 22.811 -3.718079      32.11010 
1 1 1 9   6  7  o 591.220 16.192 74.165  4.0540 72.941  5.6724  75.444  5.7961 585.724 22.868 595.676 22.976 -9.951721      32.41694 
1 1 1 9   6  8  o 911.974 17.084 176.538 6.5981 173.230 9.2710  179.933 9.3926 902.271 24.263 919.589 24.118 -17.31757      34.21092 
1 1 1 9   6  9  o 722.493 16.608 110.800 5.0816 109.722 7.1503  111.900 7.2233 718.093 23.513 725.182 23.520 -7.089355      33.25741 
1 1 1 9   6  10 o 840.156 23.933 150.253 8.5152 142.820 11.980  157.842 12.106 816.767 34.635 859.010 33.278 -42.24304      48.03091 
1 1 1 9   6  11 o 1084.03 20.667 249.836 9.4876 247.291 16.303  251.139 11.667 1074.16 35.838 1085.75 25.373 -11.58936      43.91117 
1 1 1 9   6  12 o 507.030 19.046 54.638  4.0895 60.539  7.0707  51.672  5.0131 531.077 31.581 492.534 24.034 38.54340       39.68616 
1 1 1 9   6  13 f 504.188 19.633 54.077  4.1921 58.179  7.3674  52.113  5.0978 519.593 33.663 494.332 24.351 25.26044       41.54716 
1 1 1 9   6  14 o 312.470 21.096 20.900  2.7753 19.714  4.7989  21.496  3.4019 299.574 38.733 316.112 25.632 -16.53754      46.44646 
1 1 1 9   6  15 o 349.841 20.569 26.189  3.0340 29.857  5.3256  24.427  3.6917 370.331 34.349 336.733 26.092 33.59735       43.13474 
1 1 1 9   6  16 o 320.801 21.004 22.067  2.8378 25.554  5.0361  20.445  3.4350 341.645 35.317 307.543 26.637 34.10208       44.23648 
1 1 1 9   6  17 o 470.803 24.577 47.663  4.8831 45.110  6.8153  50.356  7.0000 454.134 35.725 480.406 34.639 -26.27301      49.76133 
1 1 1 9   6  18 o 273.041 36.922 16.598  4.1598 0.0000  0.0000  16.598  4.1598 ?       ?      273.041 36.922 0.000000       36.92228 
1 1 1 9   6  19 o 349.452 21.238 26.305  3.1281 29.087  5.4374  24.929  3.8243 362.006 35.943 338.412 26.907 23.59381       44.89881 
1 1 1 9   6  20 o 421.224 20.195 38.074  3.6025 37.405  6.3091  38.397  4.3881 409.881 36.737 420.945 24.724 -11.06415      44.28172 
1 1 1 9   6  21 o 125.139 31.552 3.5733  1.6717 3.6434  2.9382  3.5397  2.0328 129.767 44.423 124.671 36.299 5.095985       57.36738 
1 1 1 9   6  22 o 148.468 48.145 5.1054  3.4597 0.0000  0.0000  5.1054  3.4597 ?       ?      148.468 48.145 0.000000       48.14509 
1 1 1 9   7  0  o 1001.04 19.480 212.740 8.2581 210.892 14.059  213.713 10.204 994.165 33.394 1002.64 24.031 -8.475525      41.14149 
1 1 1 9   7  1  o 592.926 18.196 74.607  4.5689 73.465  7.7467  75.216  5.6577 586.279 31.314 594.996 22.454 -8.716858      38.53238 
1 1 1 9   7  2  o 786.310 22.910 131.370 7.6289 127.753 10.706  135.102 10.874 774.036 32.659 796.056 32.255 -22.01996      45.90253 
1 1 1 9   7  3  o 1555.18 28.075 514.803 18.490 0.0000  0.0000  514.803 18.490 ?       ?      1555.18 28.075 0.000000       28.07452 
1 1 1 9   7  4  o 808.383 33.483 139.424 11.463 0.0000  0.0000  139.424 11.463 ?       ?      808.383 33.483 0.000000       33.48328 
1 1 1 9   7  5  o 354.646 18.751 26.772  2.8062 27.782  4.8936  26.278  3.4254 359.449 32.499 350.856 23.184 8.593292       39.92068 
1 1 1 9   7  6  o 1640.33 23.499 572.081 16.324 592.839 28.120  561.530 20.048 1663.41 39.918 1623.33 29.162 40.07104       49.43552 
1 1 1 9   7  7  o 883.900 19.535 165.936 7.3125 167.429 12.579  165.173 8.9869 885.253 33.554 881.172 24.083 4.080383       41.30196 
1 1 1 9   7  8  o 1146.64 20.791 279.426 10.096 286.664 17.404  275.755 12.394 1157.33 35.510 1137.98 25.718 19.35535       43.84536 
1 1 1 9   7  9  o 372.959 19.082 29.626  3.0038 26.671  5.1054  31.191  3.7148 351.340 34.770 382.205 23.059 -30.86435      41.72085 
1 1 1 9   7  10 o 718.902 23.434 109.994 7.1343 110.697 10.072  109.287 10.107 719.384 33.061 714.715 33.392 4.668518       46.98994 
1 1 1 9   7  11 o 1008.67 35.652 218.066 15.229 0.0000  0.0000  218.066 15.229 ?       ?      1008.67 35.652 0.000000       35.65226 
1 1 1 9   7  12 o 721.172 19.391 110.561 5.9221 115.735 10.231  107.954 7.2623 735.151 32.864 711.859 24.090 23.29236       40.74749 
1 1 1 9   7  13 o 295.935 21.222 18.742  2.6419 19.319  4.6299  18.463  3.2171 297.220 37.626 292.901 26.213 4.319702       45.85685 
1 1 1 9   7  14 o 752.263 19.701 120.520 6.2762 122.411 10.802  119.556 7.7114 753.927 33.832 748.117 24.340 5.810486       41.67767 
1 1 1 9   7  15 o 659.485 19.582 92.704  5.4690 91.921  9.3833  93.108  6.7304 651.487 34.129 659.801 24.087 -8.314026      41.77272 
1 1 1 9   7  16 o 494.579 19.672 52.185  4.1202 56.481  7.1509  50.051  5.0412 509.973 33.293 482.698 24.744 27.27512       41.48167 
1 1 1 9   7  17 o 576.921 24.541 71.401  5.9959 70.444  8.4516  72.369  8.5077 568.128 35.302 575.989 35.045 -7.860840      49.74332 
1 1 1 9   7  18 o 373.113 34.963 30.662  5.4600 0.0000  0.0000  30.662  5.4600 ?       ?      373.113 34.963 0.000000       34.96252 
1 1 1 9   7  19 o 644.019 19.939 88.903  5.4380 86.134  9.4264  90.284  6.6575 624.645 35.783 647.102 24.294 -22.45709      43.25100 
1 1 1 9   7  20 o 276.073 21.827 16.492  2.5311 23.133  4.5995  13.608  3.0314 322.696 34.177 248.370 29.390 74.32628       45.07645 
1 1 1 9   7  21 o 398.547 20.411 34.270  3.4335 29.829  5.9467  36.491  4.2052 362.708 39.346 409.702 24.346 -46.99417      46.26914 
1 1 1 9   7  22 o 307.028 40.406 21.639  5.1261 0.0000  0.0000  21.639  5.1261 ?       ?      307.028 40.406 0.000000       40.40590 
1 1 1 9   8  0  o 1305.31 20.983 361.871 11.599 331.797 19.729  377.758 14.339 1245.82 37.395 1332.72 25.407 -86.90540      45.20911 
1 1 1 9   8  1  o 694.058 18.420 102.233 5.4141 117.240 9.2512  94.416  6.6769 741.944 29.443 666.505 23.655 75.43872       37.76855 
1 1 1 9   8  2  o 624.550 22.311 82.868  5.9011 84.042  8.2575  81.643  8.4360 627.987 31.050 617.965 32.348 10.02148       44.83802 
1 1 1 9   8  3  o 1522.86 27.796 493.611 17.926 0.0000  0.0000  493.611 17.926 ?       ?      1522.86 27.796 0.000000       27.79628 
1 1 1 9   8  4  o 662.222 22.896 93.195  6.4211 93.907  8.9417  92.437  9.2266 663.632 31.816 657.388 33.250 6.244141       46.01966 
1 1 1 9   8  5  o 449.763 18.740 42.942  3.5693 40.222  6.0701  44.379  4.4128 432.850 33.372 456.950 22.804 -24.10019      40.41891 
1 1 1 9   8  6  o 339.726 19.106 24.583  2.7376 25.828  4.7479  23.963  3.3506 346.331 32.761 334.854 23.783 11.47742       40.48330 
1 1 1 9   8  7  o 557.066 18.669 65.896  4.4041 67.189  7.6069  65.245  5.4015 560.031 32.210 553.895 23.027 6.135803       39.59446 
1 1 1 9   8  8  o 901.132 19.663 172.523 7.5038 164.935 12.857  176.443 9.2411 878.023 34.576 910.574 23.964 -32.55084      42.06889 
1 1 1 9   8  9  o 624.066 19.018 82.739  5.0261 79.030  8.6820  84.608  6.1641 606.827 33.920 630.585 23.082 -23.75806      41.02866 
1 1 1 9   8  10 o 528.421 23.181 59.424  5.1876 58.115  7.3344  60.735  7.3383 520.106 33.477 531.915 32.736 -11.80933      46.82227 
1 1 1 9   8  11 f 479.941 33.636 49.547  6.7933 0.0000  0.0000  49.547  6.7933 ?       ?      479.941 33.636 0.000000       33.63580 
1 1 1 9   8  12 o 644.119 19.257 88.203  5.2528 87.961  9.0123  88.327  6.4643 639.841 33.376 643.910 23.706 -4.068970      40.93771 
1 1 1 9   8  13 o 439.819 19.512 41.161  3.6342 41.689  6.2828  40.895  4.4552 439.195 34.046 437.179 24.158 2.016510       41.74566 
1 1 1 9   8  14 o 942.443 20.330 189.266 8.1140 199.371 14.025  184.183 9.9476 961.620 34.440 928.093 25.309 33.52692       42.74006 
1 1 1 9   8  15 o 435.724 19.794 40.481  3.6524 42.780  6.3619  39.350  4.4608 443.691 34.120 428.084 24.711 15.60712       42.12817 
1 1 1 9   8  16 o 481.578 19.669 49.485  4.0115 46.213  6.9012  51.155  4.9299 460.101 35.698 488.768 23.817 -28.66666      42.91352 
1 1 1 9   8  17 o 284.354 26.796 17.542  3.1888 15.758  4.3655  19.582  4.6692 265.442 40.083 297.188 37.967 -31.74603      55.20995 
1 1 1 9   8  18 f 196.766 42.722 8.9007  3.4579 0.0000  0.0000  8.9007  3.4579 ?       ?      196.766 42.722 0.000000       42.72186 
1 1 1 9   8  19 o 574.532 19.883 70.761  4.8378 72.144  8.4028  70.076  5.9169 571.962 34.857 569.930 24.515 2.031677       42.61427 
1 1 1 9   8  20 o 111.579 31.703 2.7996  1.5685 0.7812  2.7710  3.7513  1.9027 98.185  40.693 128.302 34.340 -30.11716      53.24564 
1 1 1 9   8  21 o 218.910 23.639 10.487  2.1567 10.038  3.6165  10.735  2.6868 207.079 42.658 219.535 29.658 -12.45566      51.95514 
1 1 1 9   8  22 f 306.026 40.985 21.556  5.1782 0.0000  0.0000  21.556  5.1782 ?       ?      306.026 40.985 0.000000       40.98500 
1 1 1 9   9  0  o 406.875 17.815 35.130  3.0696 35.360  5.1645  35.004  3.8171 406.276 30.233 405.287 22.326 0.9882813      37.58291 
1 1 1 9   9  1  o 547.860 18.026 63.694  4.1822 63.175  7.1111  63.968  5.1710 543.598 31.019 548.727 22.252 -5.128601      38.17492 
1 1 1 9   9  2  o 619.860 22.316 81.632  5.8581 85.240  8.1964  77.864  8.3758 632.478 30.601 603.320 32.906 29.15814       44.93592 
1 1 1 9   9  3  o 1574.48 28.123 527.747 18.752 0.0000  0.0000  527.747 18.752 ?       ?      1574.48 28.123 0.000000       28.12297 
1 1 1 9   9  4  o 179.707 28.701 7.0468  2.1108 6.9280  2.9382  7.1735  3.0342 176.426 40.220 179.499 40.836 -3.072998      57.31659 
1 1 1 9   9  5  o 856.870 23.699 156.115 8.5997 157.372 12.008  154.790 12.321 858.644 33.024 851.330 34.176 7.314392       47.52403 
1 1 1 9   9  6  o 734.237 19.001 114.476 5.9082 103.047 10.034  120.542 7.3097 694.440 34.119 752.954 22.924 -58.51477      41.10443 
1 1 1 9   9  7  f 168.180 24.905 6.1488  1.7202 6.0946  2.8846  6.1788  2.1429 165.276 41.323 167.472 31.368 -2.196594      51.87970 
1 1 1 9   9  8  o 638.857 18.875 86.694  5.1066 86.783  8.7712  86.649  6.2809 636.378 32.656 638.171 23.240 -1.792786      40.08164 
1 1 1 9   9  9  o 396.444 19.182 33.393  3.2205 31.748  5.5105  34.247  3.9689 383.646 34.278 400.458 23.506 -16.81241      41.56360 
1 1 1 9   9  10 o 780.073 23.782 129.544 7.8565 136.160 11.192  123.117 11.032 797.734 33.128 758.268 34.354 39.46619       47.72464 
1 1 1 9   9  11 o 956.484 35.501 196.156 14.380 0.0000  0.0000  196.156 14.380 ?       ?      956.484 35.501 0.000000       35.50133 
1 1 1 9   9  12 o 648.805 19.319 89.506  5.3080 97.219  9.1661  85.615  6.5108 673.711 32.127 633.786 24.258 39.92511       40.25629 
1 1 1 9   9  13 o 668.384 19.572 95.079  5.5398 109.575 9.6350  87.920  6.7709 714.539 31.841 641.716 24.915 72.82306       40.43004 
1 1 1 9   9  14 o 136.181 31.355 4.1439  1.7709 2.9177  3.1735  4.6984  2.1341 126.161 45.886 144.719 35.167 -18.55824      57.81209 
1 1 1 9   9  15 o 411.403 19.964 36.099  3.4783 38.994  5.9818  34.620  4.2754 423.534 33.627 401.247 25.290 22.28610       42.07565 
1 1 1 9   9  16 f 341.370 20.308 24.968  2.9226 20.453  5.0428  27.251  3.5864 303.476 40.229 355.905 23.934 -52.42920      46.81022 
1 1 1 9   9  17 f 144.788 37.487 4.7513  2.3167 3.2151  3.1651  6.5239  3.4000 128.405 45.941 168.640 46.229 -40.23553      65.17474 
1 1 1 9   9  18 o 151.033 42.460 5.2241  2.8290 0.0000  0.0000  5.2241  2.8290 ?       ?      151.033 42.460 0.000000       42.45971 
1 1 1 9   9  19 o 456.127 20.037 44.617  3.8704 43.161  6.6978  45.347  4.7424 441.095 36.174 457.779 24.552 -16.68362      43.71872 
1 1 1 9   9  20 o 124.991 30.830 3.5485  1.6218 1.9470  2.7918  4.3642  1.9924 109.775 42.374 138.127 34.234 -28.35155      54.47500 
1 1 1 9   9  21 o 454.773 20.224 44.531  3.8950 44.431  6.7783  44.580  4.7591 444.930 36.290 452.448 24.934 -7.517914      44.03024 
1 1 1 9   9  22 o 250.910 28.172 13.945  2.9418 0.0000  0.0000  13.945  2.9418 ?       ?      250.910 28.172 0.000000       28.17179 
1 1 1 9   10 0  o 445.484 17.793 42.113  3.3567 43.829  5.6163  41.159  4.1868 452.679 29.457 439.549 22.568 13.12952       37.10865 
1 1 1 9   10 1  o 471.523 21.687 47.229  4.3305 44.808  5.9769  49.905  6.2831 457.479 31.034 482.939 30.883 -25.45972      43.78210 
1 1 1 9   10 2  o 1037.16 23.866 228.667 10.483 221.237 14.672  236.416 14.983 1018.13 34.028 1052.58 33.612 -34.44818      47.83000 
1 1 1 9   10 3  o 275.178 24.467 16.227  2.8215 0.0000  0.0000  16.227  2.8215 ?       ?      275.178 24.467 0.000000       24.46698 
1 1 1 9   10 4  o 408.707 22.626 35.609  3.9009 35.090  5.4330  36.161  5.6045 404.356 31.988 410.424 32.511 -6.068390      45.60913 
1 1 1 9   10 5  o 494.612 22.602 52.003  4.7342 53.480  6.5737  50.412  6.8236 499.757 31.217 484.750 33.444 15.00748       45.74924 
1 1 1 9   10 6  o 651.508 18.789 90.135  5.1840 95.912  8.8519  87.119  6.3955 670.391 31.179 639.990 23.597 30.40015       39.10191 
1 1 1 9   10 7  o 238.112 21.712 12.153  2.1654 12.476  3.5911  11.968  2.7143 238.684 36.703 235.366 27.766 3.318436       46.02206 
1 1 1 9   10 8  o 368.631 19.606 28.955  3.0497 27.488  5.1659  29.740  3.7784 356.740 34.631 373.028 24.046 -16.28763      42.16019 
1 1 1 9   10 9  o 595.359 23.186 75.436  5.8458 79.214  8.2200  71.570  8.3152 607.867 32.045 577.217 34.169 30.65015       46.84407 
1 1 1 9   10 10 o 910.127 19.827 176.063 7.6420 184.294 13.169  171.884 9.3836 927.897 33.512 898.329 24.665 29.56787       41.61083 
1 1 1 9   10 11 o 583.245 33.986 73.122  8.3580 0.0000  0.0000  73.122  8.3580 ?       ?      583.245 33.986 0.000000       33.98558 
1 1 1 9   10 12 o 229.092 23.164 11.295  2.2165 13.982  3.7041  9.7957  2.7664 252.738 35.593 211.565 31.865 41.17351       47.77265 
1 1 1 9   10 13 o 691.949 19.543 101.922 5.7268 97.672  9.7157  104.186 7.0892 672.870 34.208 698.658 23.960 -25.78760      41.76471 
1 1 1 9   10 14 o 268.282 22.432 15.471  2.5252 13.618  4.3091  16.440  3.1164 246.675 42.801 275.718 27.038 -29.04326      50.62572 
1 1 1 9   10 15 o 222.969 24.013 10.760  2.2316 10.703  3.9027  10.787  2.7202 217.337 43.914 222.015 29.675 -4.678726      52.99990 
1 1 1 9   10 16 o 234.816 22.296 11.898  2.1906 20.343  3.9762  8.2187  2.6248 305.397 31.181 192.197 33.464 113.2003       45.73990 
1 1 1 9   10 17 o 952.819 25.221 195.149 10.177 202.099 14.349  188.113 14.437 962.859 35.189 927.746 36.744 35.11273       50.87661 
1 1 1 9   10 18 o 185.166 41.224 7.8886  3.1495 0.0000  0.0000  7.8886  3.1495 ?       ?      185.166 41.224 0.000000       41.22393 
1 1 1 9   10 19 o 302.676 21.330 19.777  2.7165 15.800  4.8007  21.650  3.2948 261.751 44.926 315.703 24.844 -53.95218      51.33819 
1 1 1 9   10 20 o 225.576 23.514 11.100  2.2133 9.2838  3.7968  12.035  2.7240 198.400 46.073 233.576 28.102 -35.17671      53.96663 
1 1 1 9   10 21 o 122.996 31.352 3.4603  1.6379 3.5779  2.7725  3.3972  2.0300 127.671 43.154 122.167 36.463 5.504433       56.49625 
1 1 1 9   10 22 o 456.055 25.127 45.389  4.8342 0.0000  0.0000  45.389  4.8342 ?       ?      456.055 25.127 0.000000       25.12717 
1 1 1 9   11 0  o 1197.56 20.029 304.517 10.158 298.893 17.152  307.556 12.606 1183.31 34.227 1202.64 24.752 -19.33240      42.23957 
1 1 1 9   11 1  o 908.631 22.863 175.453 8.7974 173.390 12.204  177.685 12.693 901.719 31.959 912.638 32.842 -10.91992      45.82531 
1 1 1 9   11 2  o 354.512 32.950 27.039  4.8903 0.0000  0.0000  27.039  4.8903 ?       ?      354.512 32.950 0.000000       32.95000 
1 1 1 9   11 3  o 1184.76 24.914 298.548 12.500 304.190 17.442  292.591 17.923 1193.46 34.511 1169.99 36.173 23.46655       49.99498 
1 1 1 9   11 4  o 405.795 18.357 34.956  3.1547 32.139  5.3489  36.458  3.9064 386.650 32.982 413.573 22.387 -26.92288      39.86213 
1 1 1 9   11 5  o 465.415 22.696 46.052  4.4733 43.870  6.1764  48.459  6.4876 452.170 32.471 475.351 32.421 -23.18182      45.88520 
1 1 1 9   11 6  o 859.730 19.230 156.992 7.0015 162.387 12.007  154.212 8.6184 871.885 32.519 851.370 23.904 20.51501       40.35904 
1 1 1 9   11 7  o 558.185 18.919 66.183  4.4722 60.830  7.5215  69.110  5.5622 532.313 33.536 569.961 23.044 -37.64764      40.69051 
1 1 1 9   11 8  o 972.382 19.913 200.949 8.2000 202.794 14.039  199.994 10.102 973.401 34.056 969.129 24.615 4.272339       42.02069 
1 1 1 9   11 9  f 363.825 24.171 28.308  3.7029 29.235  5.1841  27.343  5.2911 368.089 33.628 355.469 35.627 12.62039       48.99113 
1 1 1 9   11 10 o 422.820 24.218 38.197  4.3184 0.0000  0.0000  38.197  4.3184 ?       ?      422.820 24.218 0.000000       24.21783 
1 1 1 9   11 11 o 792.677 23.930 133.854 8.0332 133.040 11.240  134.703 11.485 787.939 33.684 792.700 34.213 -4.761353      48.01214 
1 1 1 9   11 12 o 196.119 25.695 8.3468  2.0827 2.1298  3.3834  12.140  2.6428 120.795 46.643 236.928 26.811 -116.1334      53.79924 
1 1 1 9   11 13 o 468.961 19.585 46.829  3.8895 48.711  6.6529  45.851  4.7942 474.694 33.305 462.673 24.556 12.02136       41.37914 
1 1 1 9   11 14 o 681.204 19.570 98.900  5.6457 88.549  9.5296  104.498 7.0079 638.978 35.354 699.168 23.668 -60.18951      42.54491 
1 1 1 9   11 15 o 220.157 23.578 10.488  2.1641 8.3631  3.5295  11.768  2.7394 191.494 44.389 232.283 28.442 -40.78867      52.71917 
1 1 1 9   11 16 o 261.111 22.245 14.691  2.4363 8.2745  4.0445  18.346  3.0523 189.294 49.787 291.387 24.976 -102.0930      55.70035 
1 1 1 9   11 17 o 1010.51 25.453 219.687 10.892 208.796 15.269  230.970 15.542 976.674 36.917 1028.32 35.690 -51.64893      51.34790 
1 1 1 9   11 18 o 395.292 25.022 33.837  4.1671 0.0000  0.0000  33.837  4.1671 ?       ?      395.292 25.022 0.000000       25.02209 
1 1 1 9   11 19 o 265.158 21.610 15.212  2.4055 12.031  3.9488  17.089  3.0333 228.622 42.344 279.896 25.884 -51.27332      49.62858 
1 1 1 9   11 20 o 325.555 21.308 22.915  2.9215 26.285  5.0819  21.251  3.5705 342.766 35.525 311.379 27.354 31.38742       44.83590 
1 1 1 9   11 21 o 332.440 20.668 23.919  2.8953 21.846  4.9334  25.008  3.5758 309.573 38.459 338.222 25.145 -28.64908      45.94980 
1 1 1 9   11 22 o 422.490 20.181 38.480  3.6108 43.649  6.2213  35.855  4.4340 442.071 33.480 404.697 26.009 37.37329       42.39545 
1 1 1 9   12 0  o 1345.76 20.776 384.653 11.840 384.735 19.920  384.608 14.724 1342.15 35.047 1344.56 25.858 -2.409302      43.55315 
1 1 1 9   12 1  o 929.081 22.811 183.449 8.9751 180.927 12.367  186.256 13.046 921.100 31.704 934.299 32.971 -13.19958      45.74111 
1 1 1 9   12 2  o 242.650 34.526 12.820  3.4478 0.0000  0.0000  12.820  3.4478 ?       ?      242.650 34.526 0.000000       34.52569 
1 1 1 9   12 3  o 1359.36 25.904 393.226 14.913 381.436 20.779  405.749 21.415 1335.49 36.739 1377.41 36.712 -41.91553      51.93791 
1 1 1 9   12 4  o 541.069 18.095 62.146  4.1463 61.474  6.9938  62.511  5.1487 535.959 30.945 542.288 22.419 -6.328308      38.21251 
1 1 1 9   12 5  o 677.999 22.693 97.745  6.5157 100.489 9.0519  94.795  9.3863 686.180 31.150 666.086 33.275 20.09357       45.58030 
1 1 1 9   12 6  o 326.727 19.248 22.755  2.6515 23.582  4.5097  22.317  3.2779 330.636 32.633 322.947 24.142 7.688629       40.59232 
1 1 1 9   12 7  o 607.374 18.636 78.361  4.7936 74.453  8.1149  80.455  5.9409 589.238 32.647 614.954 22.812 -25.71667      39.82766 
1 1 1 9   12 8  o 698.756 19.059 103.745 5.6397 107.177 9.6157  101.945 6.9632 707.987 32.071 692.007 23.760 15.97992       39.91358 
1 1 1 9   12 9  o 295.612 25.653 18.760  3.1797 18.314  4.4026  19.246  4.5972 289.984 36.670 297.228 37.347 -7.244171      52.33971 
1 1 1 9   12 10 o 635.779 34.173 86.842  9.1671 0.0000  0.0000  86.842  9.1671 ?       ?      635.779 34.173 0.000000       34.17254 
1 1 1 9   12 11 o 988.760 20.118 207.936 8.4240 210.546 14.495  206.604 10.351 990.666 34.551 984.446 24.829 6.219727       42.54736 
1 1 1 9   12 12 o 424.621 19.617 38.368  3.5276 31.395  5.9861  42.078  4.3663 379.821 37.714 443.624 23.323 -63.80295      44.34275 
1 1 1 9   12 13 o 690.349 19.499 101.502 5.7008 106.680 9.7717  98.830  7.0190 704.029 32.774 680.097 24.370 23.93207       40.84220 
1 1 1 9   12 14 o 495.840 19.605 52.415  4.1167 49.999  6.9921  53.696  5.0930 479.672 34.654 501.018 24.004 -21.34583      42.15550 
1 1 1 9   12 15 o 565.888 19.547 68.325  4.6844 74.646  8.0062  65.034  5.7762 586.802 32.342 550.833 24.762 35.96948       40.73302 
1 1 1 9   12 16 o 509.440 23.938 55.649  5.1645 52.078  7.1513  59.541  7.4662 488.309 34.810 522.669 33.914 -34.36002      48.59928 
1 1 1 9   12 17 o 379.322 24.692 31.074  3.9449 30.540  5.5515  31.618  5.6066 372.142 35.662 378.832 35.356 -6.689667      50.21785 
1 1 1 9   12 18 o 515.952 24.443 57.420  5.3409 0.0000  0.0000  57.420  5.3409 ?       ?      515.952 24.443 0.000000       24.44324 
1 1 1 9   12 19 f 390.181 20.369 32.773  3.3541 34.578  5.7530  31.843  4.1284 394.793 34.764 382.778 25.615 12.01535       43.18208 
1 1 1 9   12 20 o 351.522 20.779 26.691  3.0795 27.430  5.2750  26.309  3.7930 349.583 36.154 347.071 25.995 2.511658       44.52877 
1 1 1 9   12 21 o 255.434 27.993 14.443  2.9785 12.304  3.9737  17.186  4.4998 229.212 42.502 273.117 40.098 -43.90527      58.43181 
1 1 1 9   12 22 o 361.308 20.728 28.260  3.1584 28.937  5.4182  27.912  3.8870 357.795 36.259 356.897 25.894 0.8985596      44.55569 
1 1 1 9   13 0  o 943.564 31.058 189.827 12.411 189.827 12.411  0.0000  0.0000 943.564 31.058 ?       ?      0.000000       31.05822 
1 1 1 9   13 1  o 1275.02 25.458 345.854 13.746 0.0000  0.0000  345.854 13.746 ?       ?      1275.02 25.458 0.000000       25.45830 
1 1 1 9   13 2  o 465.303 31.856 46.403  6.2394 0.0000  0.0000  46.403  6.2394 ?       ?      465.303 31.856 0.000000       31.85551 
1 1 1 9   13 3  o 1510.02 26.941 485.504 17.228 489.693 24.019  481.065 24.725 1512.59 37.496 1498.57 38.960 14.02197       54.07277 
1 1 1 9   13 4  o 768.489 18.510 125.396 6.0241 121.580 10.148  127.472 7.4857 754.697 31.752 774.271 22.830 -19.57385      39.10711 
1 1 1 9   13 5  o 713.651 22.646 108.311 6.8440 111.050 9.5201  105.381 9.8460 721.223 31.169 702.206 33.109 19.01733       45.47262 
1 1 1 9   13 6  o 324.278 19.353 22.420  2.6456 21.560  4.4031  22.906  3.3097 315.803 33.431 327.182 24.055 -11.37860      41.18607 
1 1 1 9   13 7  o 729.731 18.831 113.132 5.8195 98.089  9.9158  121.035 7.1875 675.928 34.758 754.256 22.502 -78.32813      41.40601 
1 1 1 9   13 8  o 649.822 18.899 89.725  5.2009 78.353  8.7942  95.843  6.4497 603.841 34.533 671.092 22.694 -67.25153      41.32287 
1 1 1 9   13 9  o 692.158 23.145 101.985 6.7843 96.932  9.5141  107.213 9.6770 672.863 33.389 707.901 32.279 -35.03748      46.44075 
1 1 1 9   13 10 o 1014.92 35.440 220.969 15.232 0.0000  0.0000  220.969 15.232 ?       ?      1014.92 35.440 0.000000       35.43979 
1 1 1 9   13 11 o 464.490 19.189 45.879  3.7746 50.433  6.4766  43.537  4.6451 484.208 31.760 451.242 24.398 32.96561       40.04963 
1 1 1 9   13 12 o 352.824 20.470 26.597  3.0454 28.201  5.2007  25.761  3.7570 360.464 34.490 346.292 25.804 14.17233       43.07413 
1 1 1 9   13 13 o 337.825 20.513 24.417  2.9208 16.290  4.9478  28.764  3.6185 269.753 44.889 366.218 23.455 -96.46503      50.64712 
1 1 1 9   13 14 o 250.952 22.708 13.569  2.3871 12.285  4.0053  14.277  2.9728 233.847 41.987 256.387 27.826 -22.53979      50.37090 
1 1 1 9   13 15 o 410.084 19.812 35.898  3.4406 30.666  5.8163  38.714  4.2674 373.547 37.265 424.458 23.837 -50.91104      44.23602 
1 1 1 9   13 16 o 368.311 25.106 29.268  3.8926 30.724  5.4855  27.791  5.5246 374.193 35.024 354.896 37.317 19.29666       51.17828 
1 1 1 9   13 17 o 518.231 34.991 59.014  7.6344 0.0000  0.0000  59.014  7.6344 ?       ?      518.231 34.991 0.000000       34.99114 
1 1 1 9   13 18 o 155.569 29.276 5.4254  1.8580 4.3868  3.1645  5.9718  2.2953 140.626 46.068 162.004 34.512 -21.37871      57.56197 
1 1 1 9   13 19 o 275.345 21.431 16.403  2.4793 15.035  4.2299  17.119  3.0600 256.802 40.215 279.909 26.116 -23.10724      47.95044 
1 1 1 9   13 20 o 80.948  30.385 1.1089  1.4107 1.5451  2.4883  0.9024  1.7124 101.432 39.766 82.896  32.833 18.53526       51.56848 
1 1 1 9   13 21 o 135.569 36.210 4.2644  2.1182 2.7772  2.8416  6.1241  3.1777 118.304 43.361 160.306 44.978 -42.00127      62.47556 
1 1 1 9   14 0  o 379.886 28.994 30.924  4.6292 30.924  4.6292  0.0000  0.0000 379.886 28.994 ?       ?      0.000000       28.99374 
1 1 1 9   14 1  o 1013.68 33.648 219.438 14.444 0.0000  0.0000  219.438 14.444 ?       ?      1013.68 33.648 0.000000       33.64798 
1 1 1 9   14 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   14 3  o 324.548 22.235 22.496  3.0376 26.808  4.2044  17.786  4.3935 353.572 28.317 285.930 37.162 67.64203       46.72066 
1 1 1 9   14 4  o 536.792 17.976 61.179  4.0863 64.549  6.8483  59.316  5.0922 549.334 29.546 528.124 22.768 21.21063       37.30096 
1 1 1 9   14 5  o 632.977 18.292 85.089  4.9033 85.598  8.2505  84.811  6.0968 633.157 30.770 631.426 22.800 1.730530       38.29648 
1 1 1 9   14 6  o 268.799 20.021 15.440  2.2627 9.4894  3.6228  19.247  2.8974 206.256 42.874 299.885 22.989 -93.62981      48.64880 
1 1 1 9   14 7  o 1038.68 19.857 229.315 8.7346 241.199 14.922  223.120 10.773 1061.63 33.191 1023.45 24.856 38.18335       41.46604 
1 1 1 9   14 8  o 353.562 23.476 26.730  3.4951 22.556  4.7627  31.601  5.1450 322.495 35.458 383.066 32.008 -60.57178      47.76834 
1 1 1 9   14 9  o 612.746 18.884 79.791  4.9003 81.212  8.3968  79.057  6.0345 615.200 32.343 609.332 23.385 5.867554       39.91194 
1 1 1 9   14 10 o 1287.09 37.806 356.207 20.607 0.0000  0.0000  356.207 20.607 ?       ?      1287.09 37.806 0.000000       37.80589 
1 1 1 9   14 11 o 312.589 21.109 20.897  2.7780 21.080  4.6199  20.793  3.4767 311.154 35.706 310.893 26.665 0.2602234      44.56413 
1 1 1 9   14 12 o 464.532 19.476 45.945  3.8314 43.619  6.4875  47.190  4.7477 448.774 34.397 469.532 23.957 -20.75803      41.91767 
1 1 1 9   14 13 o 329.158 20.644 23.196  2.8631 18.156  4.7942  25.990  3.5695 286.216 40.699 347.768 24.391 -61.55246      47.44843 
1 1 1 9   14 14 o 207.866 23.959 9.3689  2.0705 9.6941  3.4817  9.1909  2.5753 207.247 41.122 204.343 30.709 2.904251       51.32281 
1 1 1 9   14 15 o 399.703 19.916 34.116  3.3711 38.657  5.7665  31.758  4.1551 421.352 32.569 383.746 25.717 37.60611       41.49825 
1 1 1 9   14 16 o 274.152 27.549 16.358  3.1552 19.916  4.4063  12.614  4.5200 300.346 35.317 234.195 47.204 66.15071       58.95398 
1 1 1 9   14 17 o 317.247 38.526 22.505  5.0698 0.0000  0.0000  22.505  5.0698 ?       ?      317.247 38.526 0.000000       38.52563 
1 1 1 9   14 18 o 587.990 19.777 74.160  4.9245 85.116  8.5131  68.650  6.0371 622.478 32.406 563.426 25.302 59.05194       41.11332 
1 1 1 9   14 19 o 170.480 27.388 6.4645  1.9104 5.2359  3.1388  7.1874  2.4077 150.439 45.439 178.200 33.124 -27.76109      56.23072 
1 1 1 9   14 20 o 218.153 27.824 10.555  2.5120 12.750  3.6137  8.5016  3.4943 236.168 37.375 189.297 44.363 46.87137       58.00851 
1 1 1 9   14 21 o 165.057 46.588 6.5425  3.3987 0.0000  0.0000  6.5425  3.3987 ?       ?      165.057 46.588 0.000000       46.58770 
1 1 1 9   15 0  o 934.602 32.477 186.460 12.854 0.0000  0.0000  186.460 12.854 ?       ?      934.602 32.477 0.000000       32.47699 
1 1 1 9   15 1  o 583.027 31.015 72.719  7.6303 0.0000  0.0000  72.719  7.6303 ?       ?      583.027 31.015 0.000000       31.01520 
1 1 1 9   15 2  o 686.489 31.502 100.588 9.1582 0.0000  0.0000  100.588 9.1582 ?       ?      686.489 31.502 0.000000       31.50173 
1 1 1 9   15 3  o 1257.76 24.820 336.704 13.220 334.620 18.288  338.986 19.133 1250.86 34.523 1258.48 35.901 -7.626953      49.80647 
1 1 1 9   15 4  o 702.567 21.973 104.962 6.5376 102.326 8.9881  107.922 9.5265 692.308 30.657 710.793 31.648 -18.48560      44.06172 
1 1 1 9   15 5  o 363.250 22.653 28.180  3.4674 25.667  4.7273  31.105  5.1011 344.956 32.753 380.174 31.981 -35.21805      45.77703 
1 1 1 9   15 6  o 283.823 19.915 17.206  2.3786 11.957  3.9300  20.240  2.9879 232.384 41.455 307.523 23.112 -75.13896      47.46225 
1 1 1 9   15 7  o 904.900 19.284 174.031 7.3899 193.161 12.580  163.952 9.1314 950.477 31.253 877.292 24.578 73.18549       39.76011 
1 1 1 9   15 8  f 427.705 23.006 39.055  4.1517 37.517  5.7281  40.758  6.0262 417.424 32.664 435.122 32.947 -17.69806      46.39435 
1 1 1 9   15 9  o 763.541 23.562 124.168 7.6187 0.0000  0.0000  124.168 7.6187 ?       ?      763.541 23.562 0.000000       23.56150 
1 1 1 9   15 10 o 308.747 24.879 20.455  3.2254 22.856  4.4677  17.843  4.6613 324.943 32.921 285.161 39.673 39.78146       51.55341 
1 1 1 9   15 11 o 776.519 19.248 128.299 6.3298 119.487 10.754  132.971 7.8298 745.540 34.060 789.615 23.415 -44.07471      41.33253 
1 1 1 9   15 12 o 450.466 19.487 43.220  3.7175 38.993  6.2590  45.524  4.6209 423.705 35.201 461.071 23.746 -37.36609      42.46113 
1 1 1 9   15 13 o 420.399 19.691 37.683  3.5057 41.240  5.9840  35.824  4.3257 436.025 32.644 408.269 25.141 27.75629       41.20282 
1 1 1 9   15 14 o 386.055 19.680 31.886  3.2068 32.903  5.4172  31.337  3.9788 388.560 33.241 381.570 24.756 6.989807       41.44679 
1 1 1 9   15 15 o 343.738 20.425 25.337  2.9599 17.969  4.8994  29.571  3.7143 283.078 42.155 370.650 23.788 -87.57196      48.40377 
1 1 1 9   15 16 o 377.608 24.571 30.777  3.9078 32.238  5.5294  29.319  5.5236 383.068 34.453 364.471 36.268 18.59708       50.02353 
1 1 1 9   15 17 o 260.485 40.829 15.402  4.3559 0.0000  0.0000  15.402  4.3559 ?       ?      260.485 40.829 0.000000       40.82875 
1 1 1 9   15 18 o 489.730 19.639 51.452  4.0729 48.330  6.8602  53.151  5.0616 466.983 34.942 496.129 24.090 -29.14667      42.44199 
1 1 1 9   15 19 o 115.658 32.921 3.0267  1.6897 2.9892  2.7593  3.0492  2.1374 120.927 42.934 117.657 37.810 3.270470       57.20951 
1 1 1 9   15 20 o 211.889 31.730 10.112  2.7596 11.519  3.8000  8.5429  4.0142 221.883 41.978 187.512 49.736 34.37099       65.08286 
1 1 1 9   15 21 o 84.858  37.928 -0.8176 2.7892 0.0000  0.0000  -0.8176 2.7892 ?       ?      84.858  37.928 0.000000       37.92849 
1 1 1 9   16 0  o 564.016 30.520 68.056  7.2627 0.0000  0.0000  68.056  7.2627 ?       ?      564.016 30.520 0.000000       30.51960 
1 1 1 9   16 1  o 522.796 21.076 58.084  4.6663 63.204  6.4262  52.374  6.7868 543.888 27.995 494.134 32.616 49.75412       42.98243 
1 1 1 9   16 2  o 1135.92 34.530 275.973 16.610 0.0000  0.0000  275.973 16.610 ?       ?      1135.92 34.530 0.000000       34.52954 
1 1 1 9   16 3  o 511.465 21.228 55.612  4.5980 52.938  6.2719  58.719  6.7606 497.168 29.928 523.566 30.624 -26.39822      42.81990 
1 1 1 9   16 4  o 481.400 21.262 49.276  4.3347 50.099  5.9304  48.332  6.3514 483.677 29.088 474.514 31.791 9.162933       43.08995 
1 1 1 9   16 5  o 251.926 24.311 13.638  2.5615 13.826  3.4948  13.420  3.7653 252.025 33.580 247.502 37.064 4.523682       50.01338 
1 1 1 9   16 6  o 92.226  32.986 1.5505  1.6316 2.5279  2.1626  0.2592  2.4858 112.484 38.113 90.776  38.149 21.70852       53.92549 
1 1 1 9   16 7  o 349.775 24.089 26.181  3.5464 23.805  4.7825  29.084  5.2860 331.533 34.572 366.831 34.429 -35.29779      48.79132 
1 1 1 9   16 8  f 364.088 23.648 28.350  3.6264 29.221  5.0321  27.409  5.2306 368.045 32.624 355.819 35.173 12.22565       47.97310 
1 1 1 9   16 9  o 458.736 33.258 45.326  6.4171 0.0000  0.0000  45.326  6.4171 ?       ?      458.736 33.258 0.000000       33.25761 
1 1 1 9   16 10 o 500.692 18.754 53.309  3.9765 52.507  6.7530  53.734  4.9199 493.805 32.473 502.131 23.136 -8.326080      39.87231 
1 1 1 9   16 11 o 541.095 18.984 62.311  4.3501 50.843  7.2927  68.645  5.4200 484.404 35.803 567.343 22.558 -82.93927      42.31735 
1 1 1 9   16 12 f 553.068 19.122 65.161  4.4786 60.779  7.6090  67.484  5.5399 529.653 34.104 562.027 23.276 -32.37427      41.28981 
1 1 1 9   16 13 o 199.428 24.491 8.6400  2.0250 13.401  3.5148  6.2743  2.4775 246.563 34.614 167.033 36.078 79.53014       49.99783 
1 1 1 9   16 14 o 403.551 19.585 34.762  3.3470 28.317  5.6940  38.165  4.1372 358.421 38.097 421.527 23.266 -63.10654      44.63954 
1 1 1 9   16 15 o 555.620 23.547 66.207  5.5405 70.043  7.7843  62.269  7.8876 567.373 32.533 533.679 35.096 33.69379       47.85492 
1 1 1 9   16 16 o 222.264 29.315 10.873  2.6920 12.318  3.8698  9.5180  3.7473 233.097 40.682 203.016 44.787 30.08105       60.50550 
1 1 1 9   16 17 f 437.923 24.683 41.529  4.5590 0.0000  0.0000  41.529  4.5590 ?       ?      437.923 24.683 0.000000       24.68344 
1 1 1 9   16 18 o 343.860 20.735 25.502  3.0054 21.395  4.9846  27.848  3.7672 307.645 39.146 357.929 25.010 -50.28476      46.45329 
1 1 1 9   16 19 o 224.674 23.588 11.035  2.2109 11.933  3.7297  10.548  2.7451 227.477 40.186 217.291 30.685 10.18646       50.56205 
1 1 1 9   16 20 o 553.372 19.828 66.001  4.6467 63.998  7.9026  67.060  5.7448 533.998 35.141 555.270 24.430 -21.27179      42.79898 
1 1 1 9   16 21 o 312.976 38.352 22.433  4.9769 0.0000  0.0000  22.433  4.9769 ?       ?      312.976 38.352 0.000000       38.35210 
1 1 1 9   17 0  o 346.737 21.401 25.652  3.1272 21.304  4.2325  30.879  4.6407 314.209 32.266 379.435 29.102 -65.22556      43.45119 
1 1 1 9   17 1  o 985.692 22.545 206.631 9.4108 212.854 12.971  199.715 13.675 998.570 30.673 966.535 33.408 32.03522       45.35336 
1 1 1 9   17 2  o 492.567 30.736 52.004  6.3795 0.0000  0.0000  52.004  6.3795 ?       ?      492.567 30.736 0.000000       30.73611 
1 1 1 9   17 3  o 1636.17 27.595 570.862 19.121 592.794 26.596  547.399 27.509 1662.22 37.782 1595.62 40.709 66.59082       55.54044 
1 1 1 9   17 4  f 295.436 22.668 18.681  2.8144 20.142  3.8893  17.075  4.0778 305.580 30.460 280.194 35.138 25.38657       46.50257 
1 1 1 9   17 5  o 779.713 22.189 129.365 7.3269 130.568 10.091  128.023 10.656 781.633 30.484 773.484 32.532 8.148499       44.58235 
1 1 1 9   17 6  o 519.821 21.846 57.499  4.8091 55.936  6.5870  59.283  7.0375 510.615 30.603 525.455 31.775 -14.84061      44.11553 
1 1 1 9   17 7  o 396.604 31.453 33.857  5.2395 33.857  5.2395  0.0000  0.0000 396.604 31.453 ?       ?      0.000000       31.45305 
1 1 1 9   17 8  o 608.179 33.231 79.481  8.5264 0.0000  0.0000  79.481  8.5264 ?       ?      608.179 33.231 0.000000       33.23066 
1 1 1 9   17 9  o 510.326 32.922 56.054  7.0770 0.0000  0.0000  56.054  7.0770 ?       ?      510.326 32.922 0.000000       32.92180 
1 1 1 9   17 10 o 575.384 18.811 70.425  4.5837 66.432  7.7795  72.548  5.6730 555.191 33.240 583.339 22.964 -28.14795      40.40146 
1 1 1 9   17 11 o 789.226 19.194 132.631 6.4154 131.137 10.829  133.438 7.9631 780.622 32.758 790.446 23.789 -9.824829      40.48408 
1 1 1 9   17 12 o 479.028 19.187 48.904  3.8923 51.991  6.6730  47.312  4.7919 490.017 32.338 469.677 24.173 20.33972       40.37461 
1 1 1 9   17 13 o 125.602 32.368 3.5375  1.7325 7.6555  3.2203  1.8601  2.0553 183.422 42.318 101.437 36.922 81.98544       56.16127 
1 1 1 9   17 14 o 263.288 21.569 14.925  2.3838 17.428  4.0621  13.610  2.9441 281.185 34.861 249.811 28.330 31.37392       44.92030 
1 1 1 9   17 15 o 356.267 24.907 27.408  3.7342 27.176  5.3663  27.626  5.1996 350.843 36.659 354.349 35.112 -3.506714      50.76105 
1 1 1 9   17 16 o 168.898 44.560 6.6136  3.2333 0.0000  0.0000  6.6136  3.2333 ?       ?      168.898 44.560 0.000000       44.55969 
1 1 1 9   17 17 o 338.828 20.729 24.751  2.9601 20.730  4.9614  26.974  3.6885 302.779 39.645 352.417 24.874 -49.63757      46.80254 
1 1 1 9   17 18 f 607.828 19.620 79.323  5.0503 65.445  8.4911  86.921  6.2822 541.375 37.263 634.434 23.382 -93.05890      43.99141 
1 1 1 9   17 19 o 336.128 20.812 24.443  2.9479 25.284  4.9373  23.977  3.6749 335.401 35.289 330.747 26.458 4.653992       44.10595 
1 1 1 9   17 20 o 175.523 27.453 6.8967  1.9738 8.7887  3.2984  5.8413  2.4635 192.906 41.599 158.068 37.388 34.83801       55.93136 
1 1 1 9   17 21 o 297.454 26.946 19.524  3.3575 0.0000  0.0000  19.524  3.3575 ?       ?      297.454 26.946 0.000000       26.94574 
1 1 1 9   18 0  o 290.525 21.897 18.049  2.6742 16.070  3.6187  20.430  3.9696 272.439 31.972 307.817 30.867 -35.37823      44.44094 
1 1 1 9   18 1  o 838.083 29.719 149.928 10.548 149.928 10.548  0.0000  0.0000 838.083 29.719 ?       ?      0.000000       29.71862 
1 1 1 9   18 2  o 382.450 29.788 31.415  4.7865 31.415  4.7865  0.0000  0.0000 382.450 29.788 ?       ?      0.000000       29.78805 
1 1 1 9   18 3  o 365.987 21.821 28.594  3.3667 27.446  4.6491  29.860  4.8818 357.039 31.057 372.482 31.236 -15.44278      44.04787 
1 1 1 9   18 4  o 465.968 21.558 46.191  4.2542 44.454  5.8659  48.118  6.1789 455.049 30.617 473.430 30.989 -18.38168      43.56319 
1 1 1 9   18 5  o 598.558 21.613 76.231  5.4785 76.892  7.5266  75.487  7.9896 599.870 29.628 593.101 31.927 6.769592       43.55581 
1 1 1 9   18 6  o 879.035 22.726 164.518 8.4599 158.523 11.614  171.294 12.348 860.595 31.867 894.367 32.601 -33.77124      45.58883 
1 1 1 9   18 7  o 940.673 32.161 189.464 12.812 189.464 12.812  0.0000  0.0000 940.673 32.161 ?       ?      0.000000       32.16129 
1 1 1 9   18 8  o 643.041 33.002 88.853  8.9570 0.0000  0.0000  88.853  8.9570 ?       ?      643.041 33.002 0.000000       33.00244 
1 1 1 9   18 9  o 894.243 23.345 170.456 8.8407 166.175 12.191  175.204 12.839 880.137 32.709 903.424 33.558 -23.28729      46.86122 
1 1 1 9   18 10 o 507.467 22.929 54.933  4.9276 56.773  6.8991  53.016  7.0405 513.192 31.903 495.323 33.765 17.86865       46.45284 
1 1 1 9   18 11 o 368.867 19.661 29.074  3.0602 29.254  5.2413  28.981  3.7695 366.717 34.142 367.387 24.366 -0.6697083     41.94479 
1 1 1 9   18 12 o 280.176 21.631 16.865  2.5467 17.829  4.4131  16.383  3.1184 284.162 37.595 274.987 27.131 9.174927       46.36276 
1 1 1 9   18 13 o 426.682 19.426 38.856  3.5103 31.842  5.9342  42.631  4.3536 380.594 37.297 445.614 23.150 -65.02005      43.89747 
1 1 1 9   18 14 o 195.594 25.128 8.3467  2.0333 7.8524  3.6642  8.5666  2.4441 184.512 46.817 196.941 30.274 -12.42957      55.75279 
1 1 1 9   18 15 o 263.786 27.217 15.166  2.9968 17.217  4.2814  13.195  4.1961 277.982 37.310 240.897 42.694 37.08549       56.69912 
1 1 1 9   18 16 o 316.484 37.767 22.414  4.9619 0.0000  0.0000  22.414  4.9619 ?       ?      316.484 37.767 0.000000       37.76746 
1 1 1 9   18 17 o 271.485 21.674 15.960  2.4712 24.222  4.3250  11.956  3.0111 331.275 31.196 231.711 31.502 99.56396       44.33466 
1 1 1 9   18 18 o 194.405 25.596 8.3303  2.0561 8.2000  3.5412  8.3966  2.5254 186.236 45.328 193.161 31.991 -6.924911      55.48022 
1 1 1 9   18 19 o 388.910 20.400 32.699  3.3481 35.576  5.7801  31.246  4.1074 398.235 34.617 377.815 25.826 20.42004       43.18931 
1 1 1 9   18 20 o 90.361  31.648 1.6474  1.4951 1.1424  2.6012  1.8966  1.8271 98.121  39.908 97.671  34.909 0.4501877      53.02225 
1 1 1 9   19 0  o 229.271 23.446 11.303  2.2444 14.318  3.0598  7.7911  3.3023 257.510 28.538 186.597 42.712 70.91229       51.36825 
1 1 1 9   19 1  o 511.245 28.198 55.936  6.0815 55.936  6.0815  0.0000  0.0000 511.245 28.198 ?       ?      0.000000       28.19812 
1 1 1 9   19 2  o 511.452 20.748 55.626  4.4939 56.475  6.1179  54.632  6.6228 513.648 28.234 504.579 31.146 9.069244       42.03786 
1 1 1 9   19 3  o 556.594 21.086 65.897  4.9702 66.430  6.8311  65.297  7.2451 556.968 29.062 551.732 31.135 5.236267       42.59084 
1 1 1 9   19 4  o 374.255 22.469 29.922  3.5447 35.553  4.9871  24.173  5.0392 406.929 29.132 333.692 36.242 73.23703       46.49859 
1 1 1 9   19 5  f 373.645 22.846 29.838  3.5977 32.086  4.9612  27.344  5.2248 386.151 30.588 355.319 35.185 30.83200       46.62177 
1 1 1 9   19 6  o 454.088 30.314 44.291  5.7959 44.291  5.7959  0.0000  0.0000 454.088 30.314 ?       ?      0.000000       30.31381 
1 1 1 9   19 7  o 802.068 22.459 136.989 7.6284 130.715 10.459  144.120 11.151 781.332 31.609 820.276 32.099 -38.94391      45.05001 
1 1 1 9   19 8  o 764.580 33.039 125.385 10.698 0.0000  0.0000  125.385 10.698 ?       ?      764.580 33.039 0.000000       33.03885 
1 1 1 9   19 9  o 625.139 22.508 83.305  5.9587 77.939  8.1898  89.339  8.6858 601.739 32.256 645.252 31.786 -43.51355      45.28543 
1 1 1 9   19 10 o 354.032 24.113 26.897  3.5937 22.304  4.9660  31.946  5.2072 319.101 37.460 384.066 32.315 -64.96509      49.47273 
1 1 1 9   19 11 o 264.453 37.599 15.456  4.0922 15.456  4.0922  0.0000  0.0000 264.453 37.599 ?       ?      0.000000       37.59876 
1 1 1 9   19 12 o 365.139 19.465 28.524  2.9991 32.666  5.2101  26.472  3.6678 387.571 32.030 350.565 24.867 37.00653       40.54954 
1 1 1 9   19 13 f 382.760 19.800 31.372  3.1985 35.089  5.5281  29.502  3.9216 401.077 32.834 369.854 25.187 31.22241       41.38211 
1 1 1 9   19 14 o 645.845 23.355 89.487  6.3877 82.047  8.9314  97.278  9.1395 612.805 34.556 669.441 32.238 -56.63660      47.25907 
1 1 1 9   19 15 o 121.088 36.231 3.2641  2.0024 5.4671  2.7342  0.7155  2.9408 154.370 41.096 100.552 41.818 53.81804       58.63080 
1 1 1 9   19 16 o 237.979 29.049 12.493  2.8669 0.0000  0.0000  12.493  2.8669 ?       ?      237.979 29.049 0.000000       29.04941 
1 1 1 9   19 17 f 490.293 19.372 51.596  4.0223 49.750  6.8628  52.562  4.9644 473.506 34.460 493.183 23.769 -19.67740      41.86272 
1 1 1 9   19 18 o 349.017 20.345 26.304  2.9940 23.345  5.0685  27.889  3.7107 321.074 38.014 357.825 24.637 -36.75128      45.29969 
1 1 1 9   19 19 o 391.324 20.663 33.155  3.4122 36.426  5.9349  31.540  4.1703 402.066 35.210 379.159 26.132 22.90686       43.84764 
1 1 1 9   19 20 o 160.514 28.662 5.8264  1.8768 5.9956  3.3474  5.7488  2.2666 157.838 46.757 157.335 34.929 0.5020599      58.36312 
1 1 1 9   20 0  o 791.888 21.015 133.371 7.0474 131.330 9.6487  135.706 10.318 784.229 29.052 796.828 30.577 -12.59814      42.17798 
1 1 1 9   20 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   20 2  o 497.523 20.818 52.651  4.3862 51.257  5.9142  54.355  6.5387 489.084 28.680 503.238 30.830 -14.15405      42.10704 
1 1 1 9   20 3  o 996.866 22.683 211.582 9.5758 208.701 13.170  214.812 13.947 987.545 31.492 1001.42 32.887 -13.87726      45.53368 
1 1 1 9   20 4  o 580.740 21.263 71.768  5.2294 71.704  7.1891  71.840  7.6206 578.443 29.445 578.564 31.218 -0.1215820     42.91351 
1 1 1 9   20 5  f 620.747 29.803 82.400  7.8347 82.400  7.8347  0.0000  0.0000 620.747 29.803 ?       ?      0.000000       29.80342 
1 1 1 9   20 6  o 412.262 31.011 36.578  5.3746 36.578  5.3746  0.0000  0.0000 412.262 31.011 ?       ?      0.000000       31.01119 
1 1 1 9   20 7  o 756.808 32.423 122.778 10.391 0.0000  0.0000  122.778 10.391 ?       ?      756.808 32.423 0.000000       32.42261 
1 1 1 9   20 8  o 407.378 22.397 35.470  3.8491 33.436  5.2025  37.930  5.7215 393.687 31.467 419.224 32.480 -25.53732      45.22357 
1 1 1 9   20 9  o 669.638 22.600 95.652  6.4089 97.043  8.8746  94.135  9.2651 672.269 31.172 661.542 33.071 10.72638       45.44644 
1 1 1 9   20 10 o 378.390 23.519 30.712  3.7501 30.367  5.1829  31.091  5.4330 373.920 33.071 378.028 34.310 -4.108032      47.65406 
1 1 1 9   20 11 o 435.875 23.316 40.757  4.2882 43.261  5.9811  38.107  6.1514 446.658 31.828 417.999 35.074 28.65994       47.36271 
1 1 1 9   20 12 o 292.582 25.181 18.501  3.0896 16.178  4.2868  21.013  4.4570 269.684 38.639 309.313 34.619 -39.62900      51.87857 
1 1 1 9   20 13 o 606.028 23.072 78.732  5.9214 74.782  8.2389  82.953  8.5163 585.863 33.345 617.466 32.685 -31.60339      46.69228 
1 1 1 9   20 14 o 619.376 23.107 82.344  6.0609 75.317  8.4381  89.834  8.7113 586.807 34.102 642.959 31.993 -56.15253      46.76019 
1 1 1 9   20 15 o 276.603 38.433 17.195  4.3803 0.0000  0.0000  17.195  4.3803 ?       ?      276.603 38.433 0.000000       38.43285 
1 1 1 9   20 16 o 78.385  30.864 0.8132  1.5050 2.6310  2.7069  0.0000  1.8106 116.492 42.378 74.634  32.004 41.85832       53.10474 
1 1 1 9   20 17 o 277.146 21.731 16.650  2.5301 21.392  4.4879  14.440  3.0633 309.137 34.891 255.714 28.788 53.42313       45.23422 
1 1 1 9   20 18 o 238.096 23.097 12.383  2.2996 8.7571  3.9730  14.210  2.8200 190.335 48.999 253.988 26.613 -63.65298      55.75935 
1 1 1 9   20 19 o 399.269 20.391 34.522  3.4363 38.975  5.9246  32.265  4.2183 416.399 33.891 383.226 26.148 33.17337       42.80586 
1 1 1 9   20 20 o 116.452 38.099 3.0275  2.1647 3.3431  3.1265  2.7369  3.0000 126.029 45.590 118.551 44.348 7.477196       63.60206 
1 1 1 9   21 0  f 713.391 20.564 108.247 6.2127 105.518 8.5695  111.271 9.0200 702.834 28.791 721.578 29.518 -18.74353      41.23358 
1 1 1 9   21 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   21 2  o 447.595 20.870 42.625  3.9560 44.537  5.3875  40.387  5.8275 455.813 28.046 433.154 31.995 22.65955       42.54712 
1 1 1 9   21 3  o 616.799 21.016 80.956  5.4895 81.119  7.4848  80.767  8.0756 616.107 28.687 613.494 31.185 2.612610       42.37268 
1 1 1 9   21 4  o 423.829 21.740 38.339  3.8889 42.468  5.3910  33.860  5.6154 444.845 28.771 395.931 33.814 48.91415       44.39771 
1 1 1 9   21 5  o 363.651 31.368 28.521  4.7836 28.521  4.7836  0.0000  0.0000 363.651 31.368 ?       ?      0.000000       31.36839 
1 1 1 9   21 6  o 822.822 32.601 145.159 11.360 0.0000  0.0000  145.159 11.360 ?       ?      822.822 32.601 0.000000       32.60111 
1 1 1 9   21 7  o 1067.54 34.663 244.946 15.671 0.0000  0.0000  244.946 15.671 ?       ?      1067.54 34.663 0.000000       34.66279 
1 1 1 9   21 8  o 233.343 26.087 11.779  2.5338 12.400  3.4029  11.006  3.7958 237.608 34.853 221.871 41.935 15.73735       54.52765 
1 1 1 9   21 9  o 652.682 22.457 90.926  6.2071 86.160  8.5468  96.245  9.0294 631.978 32.039 668.804 31.880 -36.82605      45.19770 
1 1 1 9   21 10 o 808.982 22.906 139.902 7.8475 136.764 10.787  143.429 11.437 796.284 31.989 814.909 33.142 -18.62494      46.06155 
1 1 1 9   21 11 o 683.055 33.391 101.048 9.6591 0.0000  0.0000  101.048 9.6591 ?       ?      683.055 33.391 0.000000       33.39150 
1 1 1 9   21 12 o 341.543 23.857 25.135  3.4290 25.949  4.7660  24.262  4.9372 344.364 33.088 332.011 35.674 12.35272       48.65638 
1 1 1 9   21 13 o 372.825 23.917 29.962  3.7563 32.684  5.2461  27.099  5.3809 386.707 32.331 350.230 36.831 36.47681       49.00819 
1 1 1 9   21 14 o 421.221 33.262 38.932  5.8851 38.932  5.8851  0.0000  0.0000 421.221 33.262 ?       ?      0.000000       33.26196 
1 1 1 9   21 15 o 307.358 37.090 21.161  4.7302 0.0000  0.0000  21.161  4.7302 ?       ?      307.358 37.090 0.000000       37.08995 
1 1 1 9   21 16 o 173.882 26.561 6.7069  1.8938 8.1331  3.3331  6.0270  2.3014 186.312 43.100 162.351 34.535 23.96092       55.22927 
1 1 1 9   21 17 o 314.745 20.953 21.430  2.7769 15.786  4.7230  24.411  3.4329 260.235 44.452 334.798 24.379 -74.56284      50.69835 
1 1 1 9   21 18 o 204.594 24.054 9.2115  2.0444 6.9291  3.6689  10.239  2.4620 169.303 48.614 214.573 27.743 -45.27013      55.97321 
1 1 1 9   21 19 o 384.080 20.173 31.960  3.2698 29.635  5.6237  33.147  4.0190 360.071 37.427 389.095 24.516 -29.02396      44.74136 
1 1 1 9   21 20 o 298.922 26.568 19.737  3.3282 22.422  4.7928  17.237  4.6251 313.052 36.858 271.311 41.579 41.74127       55.56409 
1 1 1 9   22 0  o 292.751 21.598 18.340  2.6588 20.671  3.6909  15.826  3.8333 309.771 28.453 269.518 34.367 40.25299       44.61668 
1 1 1 9   22 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   22 2  o 848.894 21.550 153.406 7.7472 146.894 10.625  160.800 11.321 828.531 30.280 866.692 30.844 -38.16058      43.22335 
1 1 1 9   22 3  o 844.873 21.733 151.979 7.7759 153.388 10.654  150.374 11.375 846.765 29.709 837.701 32.065 9.064331       43.71264 
1 1 1 9   22 4  o 928.740 30.747 184.671 12.093 184.671 12.093  0.0000  0.0000 928.740 30.747 ?       ?      0.000000       30.74714 
1 1 1 9   22 5  o 294.788 22.604 18.620  2.8004 19.344  3.8262  17.784  4.1097 299.062 30.644 285.758 34.670 13.30368       46.27138 
1 1 1 9   22 6  o 313.085 35.977 21.354  4.6834 0.0000  0.0000  21.354  4.6834 ?       ?      313.085 35.977 0.000000       35.97688 
1 1 1 9   22 7  o 694.576 22.148 102.835 6.5147 98.914  8.9296  107.296 9.5257 679.039 31.052 706.998 31.815 -27.95953      44.45736 
1 1 1 9   22 8  o 612.733 22.017 80.089  5.7132 74.265  7.8096  86.795  8.3798 586.953 31.534 635.529 31.135 -48.57581      44.31473 
1 1 1 9   22 9  o 460.882 22.422 45.373  4.3764 56.462  6.0726  33.390  6.3125 512.115 28.108 390.262 38.705 121.8531       47.83468 
1 1 1 9   22 10 o 344.790 23.597 25.564  3.4247 22.967  4.7277  28.431  4.9679 323.688 35.048 361.214 32.835 -37.52615      48.02614 
1 1 1 9   22 11 o 118.520 36.267 3.0769  1.9903 2.7236  2.8059  3.4346  2.8236 119.846 43.215 128.517 43.550 -8.671631      61.35248 
1 1 1 9   22 12 o 399.327 23.399 34.321  3.9398 34.584  5.3921  34.019  5.7706 397.993 32.270 393.681 34.977 4.311768       47.58902 
1 1 1 9   22 13 o 463.979 32.380 47.037  6.3225 47.037  6.3225  0.0000  0.0000 463.979 32.380 ?       ?      0.000000       32.38003 
1 1 1 9   22 14 o 316.436 24.748 21.715  3.2900 23.387  4.6705  20.069  4.6353 324.977 34.462 299.654 37.337 25.32346       50.81043 
1 1 1 9   22 15 o 243.135 41.610 13.585  4.1303 0.0000  0.0000  13.585  4.1303 ?       ?      243.135 41.610 0.000000       41.60970 
1 1 1 9   22 16 o 421.217 19.540 38.121  3.4856 37.055  5.8957  38.694  4.3219 407.855 34.456 422.062 24.282 -14.20691      42.15277 
1 1 1 9   22 17 o 405.198 19.361 35.313  3.3223 36.229  5.5924  34.813  4.1302 403.345 33.029 399.767 24.514 3.578003       41.13262 
1 1 1 9   22 18 o 95.690  32.456 1.9285  1.5683 2.7422  2.8391  1.5712  1.8814 117.479 43.299 93.700  35.107 23.77872       55.74280 
1 1 1 9   22 19 o 145.014 30.310 4.8202  1.8014 4.9447  2.9827  4.7488  2.2602 144.338 44.436 142.129 37.140 2.208817       57.91279 
1 1 1 9   23 0  o 176.480 27.563 6.8087  1.9926 9.1027  2.7259  4.1760  2.9201 203.594 32.724 139.635 44.123 63.95959       54.93338 
1 1 1 9   23 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   23 2  o 483.532 20.701 49.761  4.2389 51.521  5.7882  47.726  6.2252 490.193 27.999 470.970 31.391 19.22272       42.06353 
1 1 1 9   23 3  o 762.323 29.285 124.325 9.4543 124.325 9.4543  0.0000  0.0000 762.323 29.285 ?       ?      0.000000       29.28517 
1 1 1 9   23 4  o 201.533 38.581 9.0358  3.1728 9.0358  3.1728  0.0000  0.0000 201.533 38.581 ?       ?      0.000000       38.58077 
1 1 1 9   23 5  o 288.427 33.925 18.106  4.0646 0.0000  0.0000  18.106  4.0646 ?       ?      288.427 33.925 0.000000       33.92520 
1 1 1 9   23 6  o 209.893 27.710 9.5832  2.4028 10.286  3.2469  8.7329  3.5727 215.559 36.895 196.822 43.971 18.73729       57.39912 
1 1 1 9   23 7  o 824.466 22.268 145.005 7.7751 138.402 10.583  152.749 11.461 802.646 31.134 842.841 32.109 -40.19415      44.72475 
1 1 1 9   23 8  o 477.887 22.312 48.767  4.5156 39.610  6.0348  60.415  6.8065 427.175 33.631 529.145 30.504 -101.9696      45.40407 
1 1 1 9   23 9  o 387.040 22.930 32.149  3.7417 33.286  5.1778  30.905  5.4131 391.579 31.490 376.343 34.342 15.23590       46.59393 
1 1 1 9   23 10 o 494.689 22.197 52.364  4.6502 50.609  6.3690  54.368  6.8054 482.897 31.313 500.191 32.300 -17.29391      44.98629 
1 1 1 9   23 11 o 367.141 23.450 29.023  3.6270 31.760  5.0114  26.013  5.2560 381.735 31.274 343.337 36.718 38.39783       48.23119 
1 1 1 9   23 12 o 447.002 23.028 42.986  4.3444 44.442  5.9976  41.380  6.3015 451.444 31.570 434.298 34.547 17.14529       46.79939 
1 1 1 9   23 13 o 267.310 36.248 15.939  3.9976 15.939  3.9976  0.0000  0.0000 267.310 36.248 ?       ?      0.000000       36.24842 
1 1 1 9   23 14 o 243.261 40.673 13.506  4.0421 0.0000  0.0000  13.506  4.0421 ?       ?      243.261 40.673 0.000000       40.67265 
1 1 1 9   23 15 o 330.390 24.172 23.742  3.3586 20.937  4.6411  26.827  4.8665 304.929 36.676 347.225 33.511 -42.29626      49.68027 
1 1 1 9   23 16 o 239.202 27.575 12.634  2.7422 11.106  3.7429  14.403  4.0290 218.381 41.997 250.734 39.230 -32.35318      57.46941 
1 1 1 9   23 17 o 219.288 23.471 10.545  2.1458 16.021  3.8252  8.0311  2.5921 265.996 34.792 187.457 33.899 78.53851       48.57590 
1 1 1 9   23 18 o 145.135 29.487 4.8092  1.7506 4.3774  3.0346  5.0246  2.1431 137.442 45.117 146.769 34.976 -9.326859      57.08653 
1 1 1 9   23 19 o 216.998 23.919 10.386  2.1616 5.1981  3.5874  13.343  2.7084 148.043 49.077 245.216 26.502 -97.17354      55.77549 
1 1 1 9   24 0  o 345.328 21.229 25.486  3.0895 23.545  4.1629  27.865  4.6096 330.293 30.092 359.441 30.573 -29.14795      42.89782 
1 1 1 9   24 1  o 188.239 39.551 7.9237  3.0527 0.0000  0.0000  7.9237  3.0527 ?       ?      188.239 39.551 0.000000       39.55087 
1 1 1 9   24 2  o 411.758 21.093 36.192  3.6658 31.971  5.0334  40.959  5.3494 385.049 31.134 436.582 29.100 -51.53281      42.61619 
1 1 1 9   24 3  o 1125.09 31.977 271.480 15.236 271.480 15.236  0.0000  0.0000 1125.09 31.977 ?       ?      0.000000       31.97691 
1 1 1 9   24 4  o 741.984 31.252 118.049 9.8200 0.0000  0.0000  118.049 9.8200 ?       ?      741.984 31.252 0.000000       31.25164 
1 1 1 9   24 5  o 629.245 31.412 84.971  8.3706 0.0000  0.0000  84.971  8.3706 ?       ?      629.245 31.412 0.000000       31.41187 
1 1 1 9   24 6  o 557.270 21.372 66.207  5.0437 63.968  6.8861  68.798  7.4082 545.203 29.939 565.121 31.074 -19.91803      43.15040 
1 1 1 9   24 7  o 287.781 24.374 17.833  2.9426 19.868  3.9946  15.419  4.3512 302.221 31.681 263.532 40.266 38.68973       51.23581 
1 1 1 9   24 8  o 297.593 24.349 19.083  3.0417 22.253  4.1455  15.387  4.4769 319.889 30.989 262.409 41.680 57.48044       51.93813 
1 1 1 9   24 9  o 271.359 25.009 15.924  2.8416 18.862  3.8554  12.431  4.2046 293.856 31.470 234.169 44.014 59.68748       54.10740 
1 1 1 9   24 10 o 702.596 22.318 105.730 6.6406 105.856 9.0927  105.587 9.7214 699.470 30.696 697.469 32.912 2.001099       45.00500 
1 1 1 9   24 11 o 203.835 28.984 9.1494  2.4315 9.9732  3.3086  8.1821  3.5853 210.166 38.596 188.200 45.489 21.96548       59.65647 
1 1 1 9   24 12 o 292.004 35.267 18.901  4.2729 18.901  4.2729  0.0000  0.0000 292.004 35.267 ?       ?      0.000000       35.26738 
1 1 1 9   24 13 o 309.911 25.325 20.866  3.2947 22.058  4.5046  19.495  4.8315 315.478 34.268 294.099 39.815 21.37866       52.53146 
1 1 1 9   24 14 o 282.579 37.717 18.035  4.4009 0.0000  0.0000  18.035  4.4009 ?       ?      282.579 37.717 0.000000       37.71705 
1 1 1 9   24 15 o 269.469 26.200 15.930  2.9521 17.199  4.1890  14.678  4.1608 275.651 36.804 252.770 40.217 22.88135       54.51535 
1 1 1 9   24 16 o 106.232 36.919 2.3353  2.0327 0.9481  2.8889  3.6956  2.8608 100.576 41.605 129.542 43.836 -28.96561      60.43662 
1 1 1 9   24 17 o 62.225  27.331 -0.2742 1.3873 -2.6015 2.2545  1.1440  1.7600 64.091  30.471 86.373  33.559 -22.28245      45.32884 
1 1 1 9   24 18 o 133.780 35.947 4.1922  2.0801 1.3381  2.9280  7.1004  2.9556 103.586 42.260 172.387 41.070 -68.80186      58.92962 
1 1 1 9   24 19 o 390.750 19.818 33.097  3.2688 29.585  5.4722  35.046  4.0758 359.639 36.433 399.880 24.182 -40.24091      43.72735 
1 1 1 9   25 0  o 519.129 19.958 57.356  4.3876 53.995  6.0070  61.199  6.4239 501.612 28.395 534.097 28.504 -32.48505      40.23352 
1 1 1 9   25 1  o 408.162 30.208 35.878  5.1844 0.0000  0.0000  35.878  5.1844 ?       ?      408.162 30.208 0.000000       30.20781 
1 1 1 9   25 2  o 596.224 28.315 76.057  7.1494 76.057  7.1494  0.0000  0.0000 596.224 28.315 ?       ?      0.000000       28.31503 
1 1 1 9   25 3  o 238.629 24.713 12.283  2.4612 12.540  3.3658  11.987  3.6080 239.192 34.202 232.889 37.885 6.302826       51.03961 
1 1 1 9   25 4  o 631.442 30.653 85.536  8.1968 0.0000  0.0000  85.536  8.1968 ?       ?      631.442 30.653 0.000000       30.65272 
1 1 1 9   25 5  o 674.340 21.273 96.946  6.0749 90.645  8.3034  104.203 8.9113 649.830 30.173 696.727 30.202 -46.89728      42.69119 
1 1 1 9   25 6  o 495.349 21.588 52.361  4.5287 54.115  6.2246  50.389  6.6012 501.082 29.463 482.545 32.492 18.53668       43.86089 
1 1 1 9   25 7  o 301.925 24.643 19.646  3.1234 19.379  4.4786  19.899  4.3582 296.829 36.390 301.314 34.794 -4.484558      50.34767 
1 1 1 9   25 8  o 428.234 22.171 39.328  4.0071 36.883  5.3898  42.350  5.9916 412.136 31.110 441.373 32.279 -29.23657      44.83034 
1 1 1 9   25 9  o 341.216 23.339 25.072  3.3522 26.277  4.5653  23.661  4.9382 347.066 31.401 327.607 36.198 19.45932       47.92012 
1 1 1 9   25 10 o 372.228 23.107 29.836  3.6245 29.361  4.9794  30.371  5.2859 366.304 32.434 372.042 33.922 -5.738159      46.93258 
1 1 1 9   25 11 o 563.049 22.400 68.025  5.3412 68.360  7.3696  67.653  7.7523 560.187 31.188 556.320 33.054 3.867004       45.44495 
1 1 1 9   25 12 o 114.899 41.800 2.5025  2.6336 2.5025  2.6336  0.0000  0.0000 114.899 41.800 ?       ?      0.000000       41.79959 
1 1 1 9   25 13 o 98.993  40.406 1.0073  2.6783 0.0000  0.0000  1.0073  2.6783 ?       ?      98.993  40.406 0.000000       40.40575 
1 1 1 9   25 14 o 235.519 27.254 12.232  2.6681 10.026  3.5914  14.948  3.9859 207.263 42.347 256.338 37.856 -49.07553      56.80103 
1 1 1 9   25 15 o 316.735 24.988 21.918  3.3245 23.050  4.7128  20.796  4.6905 320.085 35.357 302.844 37.365 17.24118       51.44178 
1 1 1 9   25 16 o 174.859 33.136 6.9916  2.3639 6.6295  3.2495  7.3987  3.4453 166.434 45.017 175.452 45.857 -9.018127      64.26055 
1 1 1 9   25 17 o 156.102 34.192 5.6617  2.1978 -0.6486 3.1258  11.831  3.0908 90.757  40.388 228.037 32.962 -137.2800      52.13158 
1 1 1 9   25 18 o 270.844 25.982 16.244  2.9435 15.991  4.0335  16.532  4.3053 262.875 37.276 266.077 39.399 -3.201599      54.23815 
1 1 1 9   26 0  o 442.925 20.155 41.767  3.7806 40.067  5.1944  43.681  5.5131 431.728 28.572 450.752 29.035 -19.02353      40.73622 
1 1 1 9   26 1  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   26 2  o 423.768 20.603 38.249  3.6974 39.306  5.1139  37.092  5.3519 427.543 28.406 414.742 30.689 12.80060       41.81755 
1 1 1 9   26 3  o 521.522 30.331 58.548  6.6699 0.0000  0.0000  58.548  6.6699 ?       ?      521.522 30.331 0.000000       30.33051 
1 1 1 9   26 4  o 610.949 20.999 79.576  5.4330 75.867  7.4563  83.775  7.9328 594.546 29.614 624.661 29.987 -30.11456      42.14518 
1 1 1 9   26 5  o 650.057 21.331 90.169  5.8722 81.786  8.0726  99.590  8.5578 615.720 31.059 680.732 29.685 -65.01166      42.96380 
1 1 1 9   26 6  o 257.087 24.972 14.287  2.6845 12.794  3.7587  15.842  3.8354 239.798 38.301 268.483 34.533 -28.68517      51.57022 
1 1 1 9   26 7  o 740.388 22.133 117.255 6.9397 125.605 9.5539  107.927 10.097 763.295 29.556 705.616 33.790 57.67896       44.89201 
1 1 1 9   26 8  o 359.484 23.608 27.825  3.5740 36.122  5.1487  20.108  4.9652 407.831 30.022 300.391 40.027 107.4403       50.03479 
1 1 1 9   26 9  o 432.556 21.870 40.186  3.9932 36.937  5.4449  43.967  5.8738 411.527 31.482 449.347 31.058 -37.81955      44.22306 
1 1 1 9   26 10 o 429.013 22.549 39.602  4.0824 34.384  5.4431  46.313  6.1721 396.134 32.740 460.506 31.844 -64.37271      45.67201 
1 1 1 9   26 11 o 92.497  38.573 0.5362  2.5120 0.5362  2.5120  0.0000  0.0000 92.497  38.573 ?       ?      0.000000       38.57309 
1 1 1 9   26 12 o 303.989 24.317 20.059  3.1043 22.469  4.2654  17.345  4.5264 319.100 31.995 276.882 39.742 42.21777       51.02053 
1 1 1 9   26 13 o 135.061 44.871 4.0453  2.9982 0.0000  0.0000  4.0453  2.9982 ?       ?      135.061 44.871 0.000000       44.87060 
1 1 1 9   26 14 f 253.057 25.716 14.062  2.7176 13.575  3.7820  14.581  3.9077 243.700 37.876 252.831 37.644 -9.131042      53.40108 
1 1 1 9   26 15 o 234.666 28.105 12.216  2.7375 14.569  3.8086  9.7028  3.9373 252.813 36.641 200.975 47.085 51.83769       59.66203 
1 1 1 9   26 16 o 370.380 23.579 29.963  3.6791 24.984  4.9816  35.938  5.4570 331.330 36.086 400.476 32.455 -69.14597      48.53399 
1 1 1 9   26 17 o 228.845 28.608 11.745  2.7119 9.7309  3.6808  14.137  4.0109 200.413 44.525 245.387 39.972 -44.97371      59.83529 
1 1 1 9   26 18 o 427.506 23.774 40.053  4.2871 43.252  5.8161  36.247  6.3440 438.799 31.508 396.172 38.290 42.62653       49.58728 
1 1 1 9   27 0  o 428.100 27.764 39.392  5.0063 39.392  5.0063  0.0000  0.0000 428.100 27.764 ?       ?      0.000000       27.76391 
1 1 1 9   27 1  o 536.832 20.066 61.381  4.5619 61.172  6.2566  61.619  6.6659 533.791 27.773 535.270 29.520 -1.479004      40.53163 
1 1 1 9   27 2  o 1122.81 32.954 271.354 15.669 0.0000  0.0000  271.354 15.669 ?       ?      1122.81 32.954 0.000000       32.95353 
1 1 1 9   27 3  o 481.702 20.388 49.463  4.1591 45.389  5.7514  53.929  6.0217 458.787 29.763 500.600 28.522 -41.81271      41.22308 
1 1 1 9   27 4  o 669.013 21.072 95.510  5.9702 103.410 8.3299  87.165  8.5611 693.969 28.344 635.997 31.785 57.97174       42.58735 
1 1 1 9   27 5  o 513.784 21.443 56.388  4.6657 60.730  6.5015  51.776  6.6996 530.518 29.049 488.534 32.569 41.98389       43.64135 
1 1 1 9   27 6  o 115.624 37.031 2.8609  2.0515 2.5001  3.0248  3.1682  2.7918 119.598 44.572 125.132 43.279 -5.533089      62.12661 
1 1 1 9   27 7  o 185.790 29.755 7.6313  2.2622 4.6620  3.1648  10.733  3.2347 145.296 45.936 219.276 36.090 -73.98006      58.41742 
1 1 1 9   27 8  o 474.765 22.165 48.311  4.4564 52.782  6.2038  43.544  6.4057 492.995 29.856 445.851 34.187 47.14340       45.38808 
1 1 1 9   27 9  o 125.925 35.875 3.5642  2.0057 2.2293  2.9099  4.7725  2.7685 114.890 43.526 145.061 42.397 -30.17092      60.76220 
1 1 1 9   27 10 o 490.775 30.455 52.528  6.2986 52.528  6.2986  0.0000  0.0000 490.775 30.455 ?       ?      0.000000       30.45541 
1 1 1 9   27 11 o 199.159 39.108 9.0666  3.1808 9.0666  3.1808  0.0000  0.0000 199.159 39.108 ?       ?      0.000000       39.10848 
1 1 1 9   27 12 o 330.000 35.456 24.337  4.8774 0.0000  0.0000  24.337  4.8774 ?       ?      330.000 35.456 0.000000       35.45630 
1 1 1 9   27 13 o 294.650 24.736 18.966  3.0580 17.130  4.2228  20.992  4.4343 274.645 37.269 305.647 34.883 -31.00189      51.04689 
1 1 1 9   27 14 o 471.532 22.880 48.153  4.5689 37.413  6.1535  61.347  6.8208 407.678 36.012 526.771 30.708 -119.0931      47.32740 
1 1 1 9   27 15 o 351.157 24.353 26.960  3.5992 27.002  4.8104  26.907  5.4249 346.859 33.152 343.306 37.948 3.552155       50.38931 
1 1 1 9   27 16 o 414.372 23.034 37.506  4.0262 40.553  5.5646  34.160  5.8326 425.677 31.083 386.985 36.003 38.69287       47.56408 
1 1 1 9   27 17 o 400.896 23.632 35.241  3.9945 33.945  5.4573  36.736  5.8624 386.726 33.658 401.468 34.826 -14.74240      48.43259 
1 1 1 9   28 0  o 418.583 27.946 37.713  4.9253 37.713  4.9253  0.0000  0.0000 418.583 27.946 ?       ?      0.000000       27.94560 
1 1 1 9   28 1  o 107.556 41.473 1.7074  2.6721 0.0000  0.0000  1.7074  2.6721 ?       ?      107.556 41.473 0.000000       41.47324 
1 1 1 9   28 2  o 789.772 20.750 133.049 6.9402 123.812 9.5572  143.354 10.095 758.940 29.736 816.866 29.181 -57.92615      41.66198 
1 1 1 9   28 3  o 165.648 31.107 6.0969  2.1021 5.1869  2.8694  7.1509  3.0882 151.825 42.790 177.537 41.772 -25.71158      59.79834 
1 1 1 9   28 4  o 228.708 25.820 11.359  2.4570 7.3120  3.4372  15.587  3.5135 178.841 45.326 266.906 31.704 -88.06499      55.31324 
1 1 1 9   28 5  o 204.529 29.120 9.1893  2.4511 13.309  3.5804  5.5557  3.3625 245.066 35.535 156.997 46.944 88.06903       58.87664 
1 1 1 9   28 6  o 418.696 22.216 37.649  3.9251 37.810  5.4645  37.476  5.6417 416.790 31.185 414.493 32.398 2.297211       44.96814 
1 1 1 9   28 7  o 576.564 21.598 71.215  5.2736 70.308  7.3781  72.163  7.5406 568.737 30.747 576.078 31.023 -7.340454      43.67841 
1 1 1 9   28 8  o 448.642 22.292 43.190  4.2355 43.758  5.8569  42.567  6.1324 447.819 31.075 440.783 33.093 7.035797       45.39647 
1 1 1 9   28 9  o 618.932 21.885 82.224  5.7363 71.320  7.7780  95.226  8.4939 571.096 32.292 661.995 30.298 -90.89972      44.28020 
1 1 1 9   28 10 o 295.545 35.759 19.466  4.3846 19.466  4.3846  0.0000  0.0000 295.545 35.759 ?       ?      0.000000       35.75900 
1 1 1 9   28 11 o 291.817 37.249 19.157  4.4983 0.0000  0.0000  19.157  4.4983 ?       ?      291.817 37.249 0.000000       37.24941 
1 1 1 9   28 12 f 451.109 33.983 45.300  6.4444 0.0000  0.0000  45.300  6.4444 ?       ?      451.109 33.983 0.000000       33.98280 
1 1 1 9   28 13 o 260.198 25.672 14.878  2.7919 12.784  3.7942  17.350  4.1230 235.268 39.480 276.584 36.057 -41.31552      53.46815 
1 1 1 9   28 14 o 332.228 23.878 24.099  3.3372 24.646  4.5390  23.454  4.9233 331.702 32.739 321.210 36.861 10.49252       49.30081 
1 1 1 9   28 15 o 351.489 23.472 27.017  3.4738 22.088  4.6672  33.139  5.2015 310.964 36.113 384.217 32.266 -73.25259      48.42809 
1 1 1 9   28 16 o 238.136 27.243 12.663  2.6980 7.1643  3.6405  19.363  4.0185 169.868 48.311 291.769 33.109 -121.9010      58.56765 
1 1 1 9   28 17 o 133.265 35.540 4.1855  2.0426 4.1618  2.6799  4.2183  3.1553 132.873 42.299 134.802 46.035 -1.928772      62.51746 
1 1 1 9   29 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   29 1  o 518.347 20.423 57.330  4.4832 54.081  6.0493  61.289  6.6777 500.822 28.641 532.895 29.708 -32.07349      41.26566 
1 1 1 9   29 2  o 171.592 30.800 6.5326  2.1559 5.2027  3.1811  7.6625  2.9321 152.527 45.671 184.288 38.796 -31.76076      59.92504 
1 1 1 9   29 3  o 92.879  35.113 1.3834  1.8912 2.2828  2.8745  0.6969  2.5112 115.705 43.386 94.557  38.920 21.14825       58.28493 
1 1 1 9   29 4  o 488.019 21.127 50.934  4.3664 48.233  6.1456  53.687  6.2047 471.285 30.964 497.857 29.562 -26.57263      42.80966 
1 1 1 9   29 5  o 177.459 30.628 6.9988  2.2186 8.9509  3.3718  5.5085  2.9462 198.162 41.508 155.426 43.202 42.73691       59.91141 
1 1 1 9   29 6  o 337.187 23.349 24.523  3.3136 25.807  4.6688  23.219  4.7036 343.067 32.524 324.465 34.773 18.60233       47.61257 
1 1 1 9   29 7  o 367.142 22.707 29.051  3.5132 22.452  4.8906  36.086  5.0500 317.813 37.031 407.007 29.499 -89.19327      47.34414 
1 1 1 9   29 8  o 307.837 23.983 20.517  3.1019 22.017  4.3305  18.937  4.4452 316.013 32.838 291.343 36.852 24.67032       49.35997 
1 1 1 9   29 9  o 476.896 31.594 49.837  6.3446 49.837  6.3446  0.0000  0.0000 476.896 31.594 ?       ?      0.000000       31.59387 
1 1 1 9   29 10 o 228.591 28.798 11.540  2.7259 13.111  3.8395  9.9420  3.8707 240.036 39.118 205.969 45.582 34.06758       60.06612 
1 1 1 9   29 11 o 160.684 47.152 6.0938  3.4182 0.0000  0.0000  6.0938  3.4182 ?       ?      160.684 47.152 0.000000       47.15237 
1 1 1 9   29 12 o 284.889 26.274 17.840  3.1341 14.454  4.3521  21.487  4.5173 248.732 42.863 308.633 35.190 -59.90079      55.45842 
1 1 1 9   29 13 o 210.419 27.976 9.8621  2.4311 8.4404  3.2667  11.627  3.6398 188.966 41.918 223.595 39.903 -34.62885      57.87343 
1 1 1 9   29 14 o 566.958 22.498 69.785  5.4018 65.976  7.3698  74.207  7.9407 543.520 32.161 576.036 32.686 -32.51563      45.85524 
1 1 1 9   29 15 o 251.301 39.887 14.832  4.1031 0.0000  0.0000  14.832  4.1031 ?       ?      251.301 39.887 0.000000       39.88656 
1 1 1 9   29 16 o 261.648 25.695 15.203  2.8104 10.553  3.7973  20.835  4.1792 208.050 44.448 302.284 33.193 -94.23476      55.47398 
1 1 1 9   29 17 o 320.917 24.653 22.732  3.3249 21.396  4.5761  24.227  4.8393 304.315 36.219 324.285 35.837 -19.97015      50.95186 
1 1 1 9   30 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   30 1  o 465.463 21.175 46.310  4.1741 46.023  5.6843  46.646  6.1492 461.185 29.256 463.516 31.514 -2.330383      43.00000 
1 1 1 9   30 2  o 163.838 33.234 6.0212  2.2271 7.0723  3.1306  4.9441  3.1689 175.894 42.501 148.880 45.796 27.01360       62.47906 
1 1 1 9   30 3  o 412.126 30.460 36.938  5.2786 36.938  5.2786  0.0000  0.0000 412.126 30.460 ?       ?      0.000000       30.45996 
1 1 1 9   30 4  o 357.095 21.963 27.426  3.3052 24.229  4.6311  30.744  4.7187 332.147 33.375 375.760 29.900 -43.61322      44.81005 
1 1 1 9   30 5  o 335.073 22.509 24.197  3.1755 22.956  4.5576  25.368  4.4270 322.788 33.844 340.496 31.042 -17.70813      45.92461 
1 1 1 9   30 6  o 570.442 21.305 69.783  5.1467 71.134  7.1977  68.370  7.3622 571.767 29.829 559.826 31.177 11.94049       43.14840 
1 1 1 9   30 7  o 157.448 32.679 5.6010  2.1076 4.3025  2.9883  6.8862  2.9731 139.232 44.703 172.779 41.210 -33.54646      60.79990 
1 1 1 9   30 8  o 109.255 43.012 1.7146  2.9223 1.7146  2.9223  0.0000  0.0000 109.255 43.012 ?       ?      0.000000       43.01151 
1 1 1 9   30 9  o 229.392 36.915 11.909  3.4645 11.909  3.4645  0.0000  0.0000 229.392 36.915 ?       ?      0.000000       36.91504 
1 1 1 9   30 10 o 235.743 40.377 12.789  3.8860 0.0000  0.0000  12.789  3.8860 ?       ?      235.743 40.377 0.000000       40.37654 
1 1 1 9   30 11 o 238.885 26.900 12.605  2.6740 11.690  3.7733  13.527  3.7898 223.936 41.310 242.830 38.108 -18.89427      56.20245 
1 1 1 9   30 12 o 303.536 24.343 20.163  3.1029 18.562  4.2892  21.921  4.4942 285.621 36.279 311.591 34.645 -25.97003      50.16377 
1 1 1 9   30 13 o 190.063 32.657 8.2393  2.5338 10.113  3.4921  6.1560  3.6821 207.104 41.265 159.691 49.406 47.41295       64.37186 
1 1 1 9   30 14 o 316.010 24.102 21.936  3.2012 17.072  4.4369  27.217  4.6232 270.150 39.991 347.786 31.739 -77.63638      51.05522 
1 1 1 9   30 15 o 302.042 24.395 20.134  3.0938 18.878  4.0951  21.804  4.7220 286.803 34.403 306.593 37.125 -19.78983      50.61457 
1 1 1 9   30 16 o 128.406 34.771 3.8851  1.9374 4.0147  2.6508  3.7364  2.8385 130.516 42.124 127.540 43.662 2.975861       60.66986 
1 1 1 9   31 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   31 1  o 115.173 36.156 2.8806  1.9638 2.1382  2.6814  3.7397  2.8843 111.686 41.898 132.428 44.011 -20.74155      60.76497 
1 1 1 9   31 2  o 275.850 24.716 16.484  2.8567 17.190  3.9105  15.675  4.1832 279.109 33.771 264.787 38.427 14.32217       51.15796 
1 1 1 9   31 3  o 358.208 21.700 27.604  3.2763 27.985  4.6903  27.241  4.5786 357.698 31.277 352.997 30.940 4.701172       43.99516 
1 1 1 9   31 4  o 536.705 20.744 61.722  4.7148 61.289  6.5889  62.176  6.7495 530.909 29.420 534.502 29.938 -3.592712      41.97449 
1 1 1 9   31 5  o 442.538 30.441 42.772  5.6703 42.772  5.6703  0.0000  0.0000 442.538 30.441 ?       ?      0.000000       30.44090 
1 1 1 9   31 6  o 279.214 24.112 16.918  2.8231 19.406  4.0966  14.668  3.8959 296.115 33.242 255.580 37.077 40.53429       49.79673 
1 1 1 9   31 7  o 477.374 30.886 49.916  6.2106 49.916  6.2106  0.0000  0.0000 477.374 30.886 ?       ?      0.000000       30.88604 
1 1 1 9   31 8  o 239.320 41.001 13.126  4.0060 13.126  4.0060  0.0000  0.0000 239.320 41.001 ?       ?      0.000000       41.00132 
1 1 1 9   31 9  o 251.233 37.688 14.350  3.8861 0.0000  0.0000  14.350  3.8861 ?       ?      251.233 37.688 0.000000       37.68765 
1 1 1 9   31 10 o 174.362 42.950 7.2045  3.1506 0.0000  0.0000  7.2045  3.1506 ?       ?      174.362 42.950 0.000000       42.94979 
1 1 1 9   31 11 o 81.969  33.795 0.5904  1.8973 1.3395  2.8579  0.0000  2.5371 103.341 41.905 86.941  37.587 16.40092       56.29210 
1 1 1 9   31 12 o 251.026 26.822 13.954  2.8072 14.812  3.8813  13.011  4.0651 253.856 37.207 234.955 42.416 18.90143       56.42223 
1 1 1 9   31 13 o 165.124 33.826 6.3184  2.2859 1.6884  3.2870  10.654  3.1809 110.692 44.922 214.476 36.318 -103.7837      57.76622 
1 1 1 9   31 14 o 90.086  34.541 1.3814  1.8463 1.7347  2.6890  1.0662  2.5396 104.092 41.170 95.646  39.227 8.446396       56.86601 
1 1 1 9   31 15 o 390.320 23.855 33.549  3.9242 28.841  5.4264  38.711  5.6818 352.548 36.892 412.513 32.795 -59.96561      49.36079 
1 1 1 9   31 16 o 100.496 35.032 2.1500  1.8309 2.7527  2.5430  1.5013  2.6383 113.822 41.125 100.837 40.482 12.98415       57.70667 
1 1 1 9   32 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 9   32 1  o 101.483 37.950 1.7701  2.1965 -1.3684 3.0140  5.3250  3.2077 86.168  38.894 152.984 45.874 -66.81514      60.14259 
1 1 1 9   32 2  o 210.565 28.979 9.7753  2.5156 8.5157  3.3205  11.472  3.8541 192.455 41.927 224.046 42.168 -31.59106      59.46376 
1 1 1 9   32 3  o 84.073  33.727 0.7977  1.8298 0.2128  2.5517  1.4168  2.6254 90.149  38.307 102.747 40.667 -12.59789      55.86750 
1 1 1 9   32 4  o 325.040 22.211 22.808  3.0390 22.106  4.1571  23.614  4.4540 316.980 31.380 327.239 32.572 -10.25912      45.22903 
1 1 1 9   32 5  o 373.015 22.011 30.014  3.4616 32.772  4.9625  27.400  4.8309 386.628 30.558 352.420 32.743 34.20798       44.78711 
1 1 1 9   32 6  o 195.110 30.375 8.4837  2.4281 12.630  3.5916  4.9936  3.2953 236.448 37.088 148.220 46.875 88.22792       59.77266 
1 1 1 9   32 7  o 142.008 43.576 4.6081  2.8711 4.6081  2.8711  0.0000  0.0000 142.008 43.576 ?       ?      0.000000       43.57648 
1 1 1 9   32 8  o 441.292 32.255 43.103  5.9862 0.0000  0.0000  43.103  5.9862 ?       ?      441.292 32.255 0.000000       32.25532 
1 1 1 9   32 9  o 304.698 35.150 20.946  4.4525 0.0000  0.0000  20.946  4.4525 ?       ?      304.698 35.150 0.000000       35.15022 
1 1 1 9   32 10 o 365.207 23.236 29.080  3.5750 26.492  5.0388  31.704  5.0731 342.160 35.280 376.575 32.118 -34.41510      47.70998 
1 1 1 9   32 11 o 207.115 29.649 9.6454  2.5264 7.8604  3.6062  11.366  3.5404 179.732 46.887 220.702 39.320 -40.97078      61.19230 
1 1 1 9   32 12 o 289.825 25.075 18.504  3.0473 18.263  4.2379  18.762  4.3850 282.122 36.314 285.513 37.146 -3.390442      51.94719 
1 1 1 9   32 13 o 427.281 23.142 40.004  4.1719 39.332  5.7572  40.746  6.0538 416.639 32.897 423.104 34.075 -6.465179      47.36347 
1 1 1 9   32 14 o 105.538 37.337 2.3697  2.0849 2.6088  2.9536  2.1323  2.9435 115.173 43.799 110.205 43.237 4.968819       61.54510 
1 1 1 9   32 15 o 123.691 37.615 3.6101  2.1456 4.4600  3.2275  2.9370  2.8722 136.842 46.560 117.967 43.538 18.87460       63.74451 
1 1 1 9   33 0  o 166.070 57.539 6.0706  4.9358 0.0000  0.0000  6.0706  4.9358 ?       ?      166.070 57.539 0.000000       57.53934 
1 1 1 9   33 1  o 145.940 37.034 4.8720  2.2926 2.9371  3.1148  7.1593  3.3867 124.040 45.408 175.284 45.297 -51.24413      64.13824 
1 1 1 9   33 2  f 196.074 30.533 8.5560  2.4528 8.1709  3.2997  9.0314  3.6667 187.844 42.476 196.876 44.965 -9.031906      61.85508 
1 1 1 9   33 3  o 110.007 37.854 2.4900  2.1345 2.3725  2.9163  2.6255  3.1326 115.892 43.652 120.652 45.281 -4.760422      62.89586 
1 1 1 9   33 4  o 302.689 22.658 19.835  2.8834 22.322  4.0974  17.395  4.0584 318.380 30.773 279.050 35.121 39.32980       46.69499 
1 1 1 9   33 5  o 282.737 23.657 17.367  2.8066 16.827  4.0073  17.886  3.9320 274.094 35.346 283.514 33.389 -9.420929      48.62315 
1 1 1 9   33 6  o 353.542 32.538 27.696  4.8170 27.696  4.8170  0.0000  0.0000 353.542 32.538 ?       ?      0.000000       32.53836 
1 1 1 9   33 7  o 213.721 28.160 10.131  2.4866 10.717  3.5744  9.5823  3.4616 215.003 40.748 202.644 41.726 12.35942       58.32244 
1 1 1 9   33 8  o 302.957 34.800 20.703  4.3838 0.0000  0.0000  20.703  4.3838 ?       ?      302.957 34.800 0.000000       34.79991 
1 1 1 9   33 9  o 192.544 30.707 8.3837  2.4197 10.340  3.4978  6.5881  3.3510 209.711 40.854 165.205 46.130 44.50671       61.61943 
1 1 1 9   33 10 o 384.118 23.162 32.204  3.7502 32.329  5.1840  32.068  5.4319 379.421 32.579 376.636 34.436 2.785736       47.40485 
1 1 1 9   33 11 o 115.926 35.500 3.0744  1.9066 3.5235  2.6731  2.6093  2.7204 125.241 42.373 114.507 42.350 10.73429       59.90816 
1 1 1 9   33 12 o 142.395 36.704 4.8034  2.2274 3.8722  3.1628  5.7197  3.1373 130.920 46.020 153.090 45.245 -22.17055      64.53641 
1 1 1 9   33 13 o 87.284  35.314 0.9704  2.0246 0.2856  2.7882  1.7343  2.9447 91.758  39.536 106.330 42.740 -14.57253      58.22189 
1 1 1 9   33 14 o 245.650 28.244 13.620  2.8847 16.043  4.0293  11.071  4.1319 261.080 37.521 209.755 47.605 51.32562       60.61416 
1 1 1 9   33 15 o 166.979 42.510 6.8631  3.0139 6.8631  3.0139  0.0000  0.0000 166.979 42.510 ?       ?      0.000000       42.51025 
1 1 1 9   34 0  o 419.662 23.922 38.104  4.2339 0.0000  0.0000  38.104  4.2339 ?       ?      419.662 23.922 0.000000       23.92206 
1 1 1 9   34 1  o 330.276 19.865 23.482  2.7655 20.146  4.2086  26.017  3.6688 301.207 33.565 346.028 25.210 -44.82010      41.97763 
1 1 1 9   34 2  o 374.832 21.845 30.331  3.4526 26.646  4.8532  34.107  4.9129 346.767 33.464 394.472 29.625 -47.70526      44.69312 
1 1 1 9   34 3  o 472.995 21.029 48.105  4.2122 43.210  5.7540  53.757  6.1831 443.465 30.830 495.527 29.600 -52.06216      42.73901 
1 1 1 9   34 4  f 310.271 22.825 20.875  2.9781 15.215  4.0229  27.738  4.4297 259.157 37.765 355.161 29.725 -96.00378      48.06004 
1 1 1 9   34 5  o 278.615 34.880 17.431  4.0253 17.431  4.0253  0.0000  0.0000 278.615 34.880 ?       ?      0.000000       34.87955 
1 1 1 9   34 6  o 402.499 21.852 35.081  3.7108 38.697  5.2981  31.600  5.1992 418.731 30.078 376.671 32.924 42.05997       44.59423 
1 1 1 9   34 7  o 703.941 31.239 109.632 9.3127 0.0000  0.0000  109.632 9.3127 ?       ?      703.941 31.239 0.000000       31.23890 
1 1 1 9   34 8  o 227.678 26.219 11.486  2.4818 13.371  3.4656  9.5016  3.5557 242.050 34.810 199.475 43.331 42.57553       55.58217 
1 1 1 9   34 9  o 146.709 36.378 5.0521  2.2490 5.7186  3.3325  4.4946  3.0478 153.975 46.890 138.759 45.199 15.21599       65.12786 
1 1 1 9   34 10 o 202.740 29.047 9.2598  2.4226 7.2138  3.4628  11.221  3.3906 171.609 46.494 219.346 37.870 -47.73628      59.96482 
1 1 1 9   34 11 f 439.301 23.091 42.261  4.2808 42.148  5.9689  42.381  6.1428 431.477 32.914 431.871 33.858 -0.3941040     47.21954 
1 1 1 9   34 12 o 81.764  34.156 0.5348  1.9743 -0.0000 2.8727  1.0135  2.7180 90.705  39.597 97.021  40.263 -6.316269      56.47184 
1 1 1 9   34 13 o 332.271 24.435 24.467  3.4142 24.550  4.8297  24.385  4.8273 324.908 35.688 323.698 35.814 1.209412       50.56016 
1 1 1 9   34 14 o 97.122  36.651 1.7821  2.0581 4.1234  2.9779  -0.3587 2.8476 131.723 44.724 87.378  38.733 44.34469       59.16441 
1 1 1 9   35 0  o 396.636 23.935 34.110  4.0016 0.0000  0.0000  34.110  4.0016 ?       ?      396.636 23.935 0.000000       23.93547 
1 1 1 9   35 1  o 143.757 32.706 4.7143  1.9463 4.4892  2.8732  4.9051  2.6457 140.354 43.679 145.603 41.107 -5.249084      59.98055 
1 1 1 9   35 2  o 89.036  34.037 1.2691  1.7895 2.2550  2.7852  0.5759  2.3354 112.780 42.618 89.534  37.253 23.24595       56.60431 
1 1 1 9   35 3  o 286.542 34.301 18.394  4.0796 18.394  4.0796  0.0000  0.0000 286.542 34.301 ?       ?      0.000000       34.30093 
1 1 1 9   35 4  o 231.840 34.957 12.170  3.3255 12.170  3.3255  0.0000  0.0000 231.840 34.957 ?       ?      0.000000       34.95654 
1 1 1 9   35 5  o 249.131 34.674 14.053  3.5591 0.0000  0.0000  14.053  3.5591 ?       ?      249.131 34.674 0.000000       34.67449 
1 1 1 9   35 6  o 128.907 42.834 3.7437  2.7322 0.0000  0.0000  3.7437  2.7322 ?       ?      128.907 42.834 0.000000       42.83415 
1 1 1 9   35 7  o 199.325 28.835 8.9296  2.3633 10.271  3.4391  7.7293  3.2530 208.799 40.353 179.303 43.324 29.49623       59.20590 
1 1 1 9   35 8  o 177.384 31.727 7.2029  2.2959 10.840  3.3558  4.0030  3.1478 215.393 38.188 133.036 45.959 82.35712       59.75368 
1 1 1 9   35 9  o 94.011  34.423 1.6998  1.7902 -1.3050 2.8765  3.5995  2.2872 82.454  37.526 124.666 39.000 -42.21200      54.12146 
1 1 1 9   35 10 o 178.905 32.623 7.3920  2.3806 5.6411  3.4149  9.0474  3.3204 151.826 47.680 193.863 41.683 -42.03709      63.33110 
1 1 1 9   35 11 o 119.271 35.381 3.3380  1.9157 5.5175  2.7546  1.2965  2.6660 150.285 41.774 98.968  40.345 51.31700       58.07570 
1 1 1 9   35 12 o 256.852 26.655 14.810  2.8572 14.685  4.0421  14.934  4.0392 247.535 39.917 249.972 39.465 -2.437424      56.13237 
1 1 1 9   35 13 o 180.983 33.825 7.7006  2.4972 5.7727  3.6225  9.4463  3.4471 151.074 49.280 195.608 42.802 -44.53357      65.27267 
1 1 1 9   36 0  o 213.970 33.872 10.342  2.9671 0.0000  0.0000  10.342  2.9671 ?       ?      213.970 33.872 0.000000       33.87172 
1 1 1 9   36 1  o 132.940 34.276 4.0626  1.9421 6.6795  2.8072  1.6604  2.6896 169.174 39.841 105.119 41.302 64.05487       57.38615 
1 1 1 9   36 2  o 294.759 26.798 19.089  3.3086 22.914  4.0036  10.848  5.8761 321.872 29.706 206.989 62.094 114.8833       68.83437 
1 1 1 9   36 3  o 82.993  36.859 -0.6426 2.5908 -0.6426 2.5908  0.0000  0.0000 82.993  36.859 ?       ?      0.000000       36.85926 
1 1 1 9   36 4  o 356.954 33.047 28.567  4.9389 0.0000  0.0000  28.567  4.9389 ?       ?      356.954 33.047 0.000000       33.04709 
1 1 1 9   36 5  o 123.459 41.096 3.4198  2.5146 0.0000  0.0000  3.4198  2.5146 ?       ?      123.459 41.096 0.000000       41.09612 
1 1 1 9   36 6  o 151.082 30.567 5.2371  1.8886 2.4019  2.8179  7.5490  2.5446 112.986 42.826 180.543 34.540 -67.55739      55.01879 
1 1 1 9   36 7  o 311.015 22.644 21.174  2.9620 18.961  4.2212  23.320  4.1575 287.584 35.407 322.111 30.855 -34.52707      46.96524 
1 1 1 9   36 8  o 172.574 31.715 6.8476  2.2324 4.8101  3.2780  8.6100  3.0487 142.267 46.901 190.575 39.086 -48.30745      61.05259 
1 1 1 9   36 9  o 81.774  33.741 0.6397  1.8930 5.2150  2.8430  -3.0046 2.5373 146.670 42.992 66.938  31.964 79.73157       53.57227 
1 1 1 9   36 10 o 139.087 37.118 4.6349  2.2270 6.7422  3.2696  2.8112  3.0416 164.325 45.453 117.668 44.519 46.65664       63.62341 
1 1 1 9   36 11 f 198.950 29.367 9.0597  2.3999 6.9326  3.3292  11.361  3.4627 165.577 45.889 217.524 39.023 -51.94739      60.23795 
1 1 1 9   36 12 o 164.914 34.183 6.4494  2.3089 2.5611  3.3182  10.099  3.2148 116.335 45.822 204.842 38.472 -88.50652      59.83088 
1 1 1 9   36 13 o 144.805 46.069 5.2407  3.1793 5.2407  3.1793  0.0000  0.0000 144.805 46.069 ?       ?      0.000000       46.06890 
1 1 1 9   37 0  o 168.304 29.139 6.3806  2.0017 2.8988  3.0768  8.9355  2.6357 121.593 45.025 198.628 32.455 -77.03459      55.50281 
1 1 1 9   37 1  o 180.760 34.601 7.5037  2.5522 8.7482  3.0531  4.6164  4.6503 193.917 38.535 147.898 55.237 46.01860       67.35032 
1 1 1 9   37 2  o 103.672 39.350 1.9067  2.3811 1.0206  2.7409  4.6319  4.8069 98.807  40.665 148.284 55.999 -49.47662      69.20634 
1 1 1 9   37 3  o 248.483 30.134 13.848  3.1062 0.0000  0.0000  13.848  3.1062 ?       ?      248.483 30.134 0.000000       30.13427 
1 1 1 9   37 4  o 209.888 46.214 10.718  3.9966 0.0000  0.0000  10.718  3.9966 ?       ?      209.888 46.214 0.000000       46.21360 
1 1 1 9   37 5  o 110.438 36.251 2.7241  1.9591 0.9252  2.4717  5.7644  3.2133 93.613  38.582 153.899 45.861 -60.28596      59.93172 
1 1 1 9   37 6  o 348.693 22.735 26.627  3.3388 32.587  4.9096  21.499  4.5541 380.885 30.698 305.719 35.856 75.16617       47.20202 
1 1 1 9   37 7  o 157.584 32.670 5.7711  2.1087 7.4571  3.1965  4.4721  2.8059 174.839 43.379 137.047 43.245 37.79260       61.25220 
1 1 1 9   37 8  o 287.074 23.709 18.182  2.8565 19.109  4.0919  17.301  3.9896 288.338 34.175 273.531 35.262 14.80734       49.10570 
1 1 1 9   37 9  o 220.973 26.190 10.959  2.4032 13.351  3.4307  8.6533  3.3675 239.345 34.871 187.238 43.327 52.10692       55.61697 
1 1 1 9   37 10 o 145.422 33.899 5.0311  2.0491 6.4659  2.9855  3.7532  2.8176 160.960 42.987 126.281 43.489 34.67902       61.14875 
1 1 1 9   37 11 o 141.638 46.283 5.0105  3.1949 5.0105  3.1949  0.0000  0.0000 141.638 46.283 ?       ?      0.000000       46.28334 
1 1 1 9   37 12 o 189.160 32.012 8.3515  2.4729 11.725  3.6192  5.3973  3.3867 219.382 40.446 146.089 47.649 73.29361       62.50008 
1 1 1 9   38 0  o 132.603 38.846 4.1114  2.3217 4.9083  2.7794  2.2714  4.2232 143.864 42.603 124.715 50.802 19.14938       66.30138 
1 1 1 9   38 1  o 255.655 21.696 14.281  2.3268 17.475  3.6224  12.038  3.0359 278.638 31.236 230.400 31.977 48.23813       44.70129 
1 1 1 9   38 2  o 323.303 27.403 23.205  3.7166 0.0000  0.0000  23.205  3.7166 ?       ?      323.303 27.403 0.000000       27.40262 
1 1 1 9   38 3  o 79.280  36.103 -1.2483 2.6679 0.0000  0.0000  -1.2483 2.6679 ?       ?      79.280  36.103 0.000000       36.10347 
1 1 1 9   38 4  o 135.137 36.554 4.3217  2.1425 0.4464  3.0216  8.2401  3.0383 96.603  41.381 185.682 39.832 -89.07970      57.43704 
1 1 1 9   38 5  o 164.442 35.944 6.3800  2.4333 1.1605  3.2875  12.704  3.6186 105.435 44.062 232.583 38.055 -127.1480      58.22011 
1 1 1 9   38 6  o 317.771 22.699 22.177  3.0345 27.579  4.3477  17.046  4.2374 350.311 29.583 269.692 38.167 80.61935       48.28949 
1 1 1 9   38 7  o 259.042 25.028 14.918  2.7114 14.333  3.8502  15.493  3.8191 246.508 38.111 257.832 35.955 -11.32434      52.39465 
1 1 1 9   38 8  o 140.660 34.248 4.7056  2.0210 5.9113  3.0569  3.7694  2.6937 153.871 44.431 126.444 42.538 27.42641       61.51045 
1 1 1 9   38 9  o 77.697  32.581 0.4631  1.8067 -2.6336 2.4441  4.1944  2.6828 66.517  31.654 131.313 42.377 -64.79607      52.89382 
1 1 1 9   38 10 o 166.275 31.877 6.4970  2.1629 4.3269  3.1381  8.4608  2.9853 133.199 45.895 186.123 39.116 -52.92447      60.30290 
1 1 1 9   38 11 o 155.544 33.965 5.7768  2.1746 5.2831  3.2351  6.1837  2.9371 144.403 46.528 156.651 42.977 -12.24802      63.33982 
1 1 1 9   39 0  o 344.064 25.147 26.134  3.6387 0.0000  0.0000  26.134  3.6387 ?       ?      344.064 25.147 0.000000       25.14684 
1 1 1 9   39 1  o 90.332  37.227 0.8621  2.3009 0.0000  0.0000  0.8621  2.3009 ?       ?      90.332  37.227 0.000000       37.22695 
1 1 1 9   39 2  o 69.866  30.855 -0.3497 1.7907 1.1931  2.3625  -2.4326 2.7451 94.460  38.171 73.420  34.517 21.03957       51.46318 
1 1 1 9   39 3  o 122.880 37.625 3.5410  2.1418 3.7575  2.8809  3.2735  3.2023 127.868 43.979 124.050 45.934 3.818405       63.59308 
1 1 1 9   39 4  o 85.224  33.652 1.0748  1.7938 0.4454  2.6996  1.5723  2.4003 91.900  39.234 98.832  38.958 -6.931679      55.29070 
1 1 1 9   39 5  o 107.350 36.075 2.5697  1.9374 0.9290  2.9112  3.8740  2.5956 98.606  41.354 128.142 41.710 -29.53606      58.73552 
1 1 1 9   39 6  o 256.246 26.654 14.727  2.8501 17.828  4.0813  11.775  3.9818 276.418 35.699 218.316 44.575 58.10214       57.10810 
1 1 1 9   39 7  o 245.944 25.603 13.564  2.6276 15.642  3.7959  11.652  3.6408 257.918 35.711 218.817 40.790 39.10146       54.21361 
1 1 1 9   39 8  o 142.311 33.300 4.8320  1.9713 3.6376  2.9163  5.8369  2.6750 124.596 44.150 153.328 40.567 -28.73190      59.95741 
1 1 1 9   39 9  o 189.803 28.124 8.2687  2.1922 11.152  3.1089  5.4171  3.0916 216.702 35.075 145.898 45.293 70.80388       57.28621 
1 1 1 9   39 10 o 142.004 34.805 4.8699  2.0768 7.0714  2.9936  2.8273  2.8836 167.593 42.204 114.954 43.382 52.63866       60.52421 
1 1 1 9   40 0  o 142.827 38.221 4.9055  2.3573 0.0000  0.0000  4.9055  2.3573 ?       ?      142.827 38.221 0.000000       38.22106 
1 1 1 9   40 1  o 102.768 36.261 2.2456  1.9652 -0.9541 2.7593  5.5395  2.7996 82.192  37.146 150.409 42.223 -68.21650      56.23705 
1 1 1 9   40 2  o 128.811 36.576 3.9481  2.0884 4.3721  2.8337  3.4440  3.0898 134.903 43.554 124.748 45.292 10.15512       62.83581 
1 1 1 9   40 3  o 84.138  33.184 1.0628  1.7424 1.6634  2.6449  0.6024  2.3160 102.179 40.699 87.554  36.810 14.62549       54.87595 
1 1 1 9   40 4  f 237.193 22.709 12.448  2.2532 12.663  3.2918  12.259  3.0908 233.096 34.379 230.334 32.597 2.762405       47.37539 
1 1 1 9   40 5  o 110.178 35.922 2.7975  1.9249 0.6957  3.0139  4.2455  2.5015 97.216  41.478 132.209 40.693 -34.99276      58.10608 
1 1 1 9   40 6  o 366.030 20.525 29.411  3.1687 30.647  4.9188  28.533  4.1429 364.503 32.196 355.384 27.747 9.118164       42.50286 
1 1 1 9   40 7  o 255.984 25.209 14.736  2.6974 16.226  3.9944  13.487  3.6573 260.233 37.312 236.615 37.768 23.61841       53.09116 
1 1 1 9   40 8  o 220.557 26.979 11.080  2.4674 14.378  3.6247  8.2327  3.3682 245.449 35.935 179.176 44.572 66.27295       57.25378 
1 1 1 9   40 9  o 131.214 35.213 4.1825  1.9976 6.1706  2.9142  2.4206  2.7434 155.729 42.845 109.292 42.056 46.43755       60.03689 
1 1 1 9   41 0  f 68.538  30.599 -0.5087 1.8098 -0.0001 2.3782  -1.2085 2.7897 82.955  36.126 80.749  36.829 2.206253       51.58935 
1 1 1 9   41 1  o 175.662 30.391 7.1292  2.1790 2.8823  2.9200  12.465  3.2731 117.040 43.759 230.975 34.521 -113.9349      55.73643 
1 1 1 9   41 2  o 84.048  33.047 1.0970  1.7231 -0.9953 2.6390  2.6517  2.2749 79.593  36.115 109.948 38.990 -30.35524      53.14592 
1 1 1 9   41 3  o 190.080 26.675 8.1972  2.0881 9.5460  3.3375  7.3295  2.6767 197.055 41.314 174.257 37.392 22.79816       55.72253 
1 1 1 9   41 4  o 93.676  34.076 1.7976  1.7502 3.4734  2.6432  0.4891  2.3355 121.601 42.108 86.047  36.608 35.55377       55.79617 
1 1 1 9   41 5  o 159.595 31.444 6.0069  2.0496 3.9330  3.1274  7.5682  2.7136 128.062 45.683 176.183 37.519 -48.12079      59.11505 
1 1 1 9   41 6  o 165.216 33.370 6.5243  2.2545 6.7496  3.3923  6.3462  3.0171 160.408 46.945 157.270 43.721 3.138000       64.15128 
1 1 1 9   41 7  o 163.666 28.999 6.2447  1.9364 5.2543  2.9182  7.0238  2.5883 143.247 43.928 169.251 37.132 -26.00455      57.51929 
1 1 1 9   41 8  o 87.814  33.960 1.3752  1.7958 2.8414  2.5813  0.0000  2.5000 112.637 41.321 83.706  36.730 28.93058       55.28534 
1 1 1 9   42 0  o 117.833 35.896 3.3039  1.9527 2.5684  2.6472  4.1818  2.8920 110.973 41.630 131.161 44.076 -20.18775      60.62810 
1 1 1 9   42 1  o 117.655 34.172 3.3007  1.8035 4.9053  2.7201  2.0419  2.4092 140.245 42.287 102.865 39.453 37.37941       57.83327 
1 1 1 9   42 2  o 305.182 20.050 20.472  2.5769 19.596  3.9637  21.114  3.3915 289.869 32.870 305.885 26.441 -16.01599      42.18486 
1 1 1 9   42 3  o 181.425 27.774 7.5768  2.0660 5.3956  3.2335  9.0816  2.6857 144.673 46.506 195.556 33.643 -50.88310      57.39944 
1 1 1 9   42 4  o 191.518 26.981 8.4106  2.1277 10.170  3.3139  7.1769  2.7752 202.392 40.082 169.678 39.380 32.71355       56.19007 
1 1 1 9   42 5  o 130.587 34.544 4.1580  1.9399 5.2032  2.8548  3.2614  2.6441 142.354 43.411 117.674 42.002 24.67963       60.40405 
1 1 1 9   42 6  o 110.662 35.773 2.9190  1.9112 5.2907  2.8668  1.0216  2.5642 143.315 43.457 93.002  38.894 50.31274       58.32024 
1 1 1 9   42 7  o 80.749  33.613 0.6743  1.9025 -3.7515 2.9196  3.9405  2.5081 68.719  33.191 126.004 41.000 -57.28541      52.75133 
1 1 1 9   43 0  o 102.248 35.761 2.3461  1.9087 3.7048  2.8969  1.3039  2.5373 124.014 43.996 95.611  39.211 28.40271       58.93355 
1 1 1 9   43 1  f 97.032  33.633 2.0979  1.6865 -2.0976 2.5085  5.5580  2.2781 69.854  32.889 150.397 36.203 -80.54332      48.91159 
1 1 1 9   43 2  o 206.712 26.111 9.7603  2.2348 14.703  3.4929  6.3345  2.9078 248.446 34.097 156.782 42.659 91.66417       54.61185 
1 1 1 9   43 3  o 170.667 29.934 6.8544  2.0846 5.4090  3.1930  7.9282  2.7521 143.458 46.224 179.098 37.488 -35.63982      59.51497 
1 1 1 9   43 4  f 184.725 32.980 8.1698  2.4854 4.1066  3.3882  12.902  3.6568 128.745 47.324 228.112 39.270 -99.36716      61.49543 
1 1 1 9   43 5  o 181.556 29.064 7.7042  2.1593 6.7606  3.1866  8.5053  2.9362 160.032 45.089 184.611 38.789 -24.57957      59.47804 
1 1 1 9   43 6  o 207.976 34.477 10.408  2.9302 8.1553  3.4280  16.519  5.6460 175.714 45.653 240.953 56.338 -65.23895      72.51336 
1 1 1 9   44 0  o 184.816 28.270 7.9598  2.1423 9.0097  3.2797  7.1785  2.8293 186.951 42.400 167.789 40.319 19.16139       58.50931 
1 1 1 9   44 1  o 165.723 38.251 6.9011  2.6301 6.7404  3.1242  7.2919  4.8727 159.522 44.541 157.891 56.946 1.630722       72.29636 
1 1 1 9   44 2  o 75.232  31.898 0.4039  1.7629 -1.5827 2.6955  1.8888  2.3304 75.282  34.999 98.708  38.542 -23.42572      52.06227 
1 1 1 9   44 3  o 117.256 35.345 3.3765  1.9005 1.6732  2.9138  4.6377  2.5073 101.796 41.915 134.607 40.602 -32.81139      58.35567 
1 1 1 9   44 4  o 82.654  34.082 0.8535  1.9300 -2.1636 2.9430  3.1303  2.5565 75.904  35.702 114.765 41.265 -38.86087      54.56586 
1 1 1 9   45 0  f 93.462  35.861 1.7407  1.9910 0.3790  2.9785  2.8405  2.6769 91.478  40.117 111.231 41.836 -19.75298      57.96233 
1 1 1 9   45 1  o 137.826 42.504 4.9785  2.7277 3.3046  3.2824  8.7142  4.9036 118.894 45.932 169.055 57.390 -50.16190      73.50778 
1 1 1 9   45 2  o 107.240 35.590 2.7625  1.8864 5.9962  2.7547  -0.0930 2.5886 151.527 41.642 83.156  36.892 68.37059       55.63321 
1 1 1 9   45 3  o 212.941 32.248 10.837  2.8170 12.649  3.3992  6.8662  5.0336 226.753 36.648 152.893 57.396 73.86087       68.09846 
1 1 1 9   46 0  o 169.101 31.184 6.8808  2.1509 4.5944  3.2582  8.6469  2.8635 131.521 46.659 185.155 37.798 -53.63399      60.04800 
1 1 1 10  0  0  o 951.647 24.111 192.510 9.7028 205.735 13.812  179.625 13.633 982.183 33.294 917.101 35.220 0.000000       0.000000 
1 1 1 10  0  1  o 1004.46 34.578 215.278 14.669 0.0000  0.0000  215.278 14.669 1004.46 34.578 1004.46 34.578 0.000000       0.000000 
1 1 1 10  0  2  o 730.199 33.258 114.041 10.236 114.041 10.236  0.0000  0.0000 730.199 33.258 730.199 33.258 0.000000       0.000000 
1 1 1 10  0  3  o 2005.14 31.931 855.183 27.099 856.005 38.381  854.366 38.268 2001.55 45.333 1999.66 45.241 0.000000       0.000000 
1 1 1 10  0  4  o 482.164 23.158 49.668  4.7038 46.897  6.6434  52.454  6.6610 465.893 34.091 493.631 32.177 0.000000       0.000000 
1 1 1 10  0  5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  0  6  o 184.758 30.502 7.8181  2.1910 9.6792  3.0932  5.9440  3.1040 202.067 40.801 143.391 54.420 0.000000       0.000000 
1 1 1 10  0  7  o 487.300 23.486 50.754  4.8211 43.706  6.7576  58.060  6.8801 448.758 36.095 519.655 31.529 0.000000       0.000000 
1 1 1 10  0  8  o 418.135 23.774 37.474  4.1786 34.816  5.9062  40.137  5.9127 399.712 35.537 430.623 32.863 0.000000       0.000000 
1 1 1 10  0  9  o 169.605 49.932 7.5323  3.1168 0.0000  0.0000  7.5323  3.1168 169.605 49.932 169.605 49.932 0.000000       0.000000 
1 1 1 10  0  10 o 207.624 45.258 10.400  3.4863 10.400  3.4863  0.0000  0.0000 207.624 45.258 207.624 45.258 0.000000       0.000000 
1 1 1 10  0  11 o 1077.72 25.499 247.286 11.623 245.094 16.329  249.537 16.548 1069.99 36.129 1079.63 36.287 0.000000       0.000000 
1 1 1 10  0  12 o 416.251 24.025 37.198  4.2028 35.226  5.8488  39.303  6.0433 401.741 34.988 425.140 34.069 0.000000       0.000000 
1 1 1 10  0  13 o 724.588 24.078 112.057 7.3698 114.374 10.363  109.685 10.483 729.329 33.715 713.741 34.873 0.000000       0.000000 
1 1 1 10  0  14 o 384.971 24.385 31.924  3.9390 30.915  5.5000  32.987  5.6440 375.170 35.338 387.972 35.007 0.000000       0.000000 
1 1 1 10  0  15 o 357.029 24.861 27.545  3.7171 29.957  5.1235  24.865  5.4011 369.735 33.345 333.371 39.749 0.000000       0.000000 
1 1 1 10  0  16 o 160.077 36.053 6.2440  2.1327 6.4169  2.8602  6.0275  3.2004 152.910 49.882 142.484 55.565 0.000000       0.000000 
1 1 1 10  0  17 f 39.400  27.627 -1.8234 1.7468 -1.8234 1.7468  0.0000  0.0000 39.400  27.627 39.400  27.627 0.000000       0.000000 
1 1 1 10  0  18 o 227.204 29.215 11.593  2.6834 11.934  3.6219  11.177  3.9955 223.801 42.735 210.038 51.889 0.000000       0.000000 
1 1 1 10  0  19 o 261.682 26.871 15.124  2.9059 17.541  3.9646  12.318  4.2718 278.781 35.091 221.146 52.551 0.000000       0.000000 
1 1 1 10  0  20 o 140.302 53.171 5.8481  2.9652 5.8481  2.9652  0.0000  0.0000 140.302 53.171 140.302 53.171 0.000000       0.000000 
1 1 1 10  0  21 o 556.033 24.617 66.671  5.7707 66.164  7.9298  67.241  8.4137 549.195 34.405 552.612 36.312 0.000000       0.000000 
1 1 1 10  1  0  o 1090.75 17.539 252.449 8.1016 248.486 11.438  256.440 11.477 1081.00 24.984 1098.22 24.678 -17.22168      35.11704 
1 1 1 10  1  1  o 637.524 22.768 86.371  6.1470 85.562  8.6612  87.192  8.7255 632.552 32.442 638.578 32.371 -6.025574      45.82932 
1 1 1 10  1  2  o 1103.94 20.457 258.818 9.5639 263.256 16.562  256.598 11.715 1110.13 35.228 1098.36 25.185 11.77527       43.30477 
1 1 1 10  1  3  o 627.045 16.240 83.417  4.3124 79.586  6.0912  87.267  6.1061 611.827 23.509 640.779 22.502 -28.95209      32.54203 
1 1 1 10  1  4  o 447.848 16.145 42.555  3.0620 45.493  4.3505  39.672  4.3104 462.629 22.205 431.263 23.692 31.36649       32.47145 
1 1 1 10  1  5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  1  6  o 757.641 16.750 121.839 5.3743 116.737 7.5734  127.015 7.6277 740.647 24.146 772.694 23.310 -32.04681      33.56139 
1 1 1 10  1  7  f 1032.64 17.635 226.426 7.7119 211.270 10.846  241.924 10.967 995.922 25.716 1066.07 24.293 -70.14447      35.37596 
1 1 1 10  1  8  o 592.130 16.502 74.428  4.1381 75.100  5.8597  73.760  5.8446 594.056 23.292 588.717 23.442 5.339478       33.04642 
1 1 1 10  1  9  f 516.748 19.247 56.740  4.2120 51.995  7.2315  59.177  5.1816 491.497 34.971 527.308 23.204 -35.81094      41.96862 
1 1 1 10  1  10 o 235.835 26.918 12.014  2.6402 9.6865  3.6861  14.467  3.7835 208.215 43.218 257.371 35.672 -49.15617      56.03816 
1 1 1 10  1  11 o 1334.10 19.123 378.489 10.804 376.438 15.251  380.556 15.309 1327.62 27.125 1334.88 27.080 -7.260742      38.32880 
1 1 1 10  1  12 o 574.498 16.821 70.161  4.0926 65.013  5.7741  75.357  5.8015 551.773 24.711 594.372 23.048 -42.59943      33.79105 
1 1 1 10  1  13 o 710.885 16.962 107.505 5.1064 116.029 7.2810  99.253  7.1636 737.012 23.328 681.261 24.830 55.75165       34.06907 
1 1 1 10  1  14 o 133.880 25.727 3.9667  1.4057 2.2706  2.0683  5.4226  1.9162 107.344 37.244 156.221 30.055 -48.87721      47.85862 
1 1 1 10  1  15 o 230.969 27.999 11.633  2.6827 12.806  3.9305  10.610  3.6707 239.112 40.245 216.822 41.487 22.29027       57.80021 
1 1 1 10  1  16 o 536.675 16.858 61.386  3.8314 57.851  5.4162  64.928  5.4207 519.075 24.639 550.322 23.259 -31.24689      33.88297 
1 1 1 10  1  17 o 162.052 31.115 5.8889  2.0577 4.3510  2.7884  7.7280  3.0493 139.336 42.975 183.628 40.316 -44.29242      58.92568 
1 1 1 10  1  18 o 404.747 17.239 35.007  2.9549 35.557  4.1913  34.463  4.1666 405.334 24.532 398.937 24.785 6.397125       34.87307 
1 1 1 10  1  19 o 269.541 18.436 15.633  2.0918 16.933  2.9871  14.382  2.9301 278.578 25.606 255.981 27.458 22.59702       37.54492 
1 1 1 10  1  20 o 417.374 24.017 37.853  4.2271 40.874  5.9988  34.874  5.9575 428.828 33.293 394.296 36.078 34.53137       49.09215 
1 1 1 10  1  21 o 203.262 23.590 9.0622  1.9928 10.373  3.7317  8.5393  2.3571 210.011 43.394 195.396 29.396 14.61470       52.41335 
1 1 1 10  2  0  o 390.866 15.902 32.405  2.6322 31.804  3.6978  33.024  3.7475 386.212 22.709 393.590 22.577 -7.378357      32.02234 
1 1 1 10  2  1  o 881.840 23.673 165.305 8.8407 165.578 12.455  165.028 12.551 880.875 33.388 879.347 33.702 1.527527       47.44079 
1 1 1 10  2  2  o 1373.63 21.920 400.904 12.751 443.619 22.132  379.680 15.601 1440.69 36.275 1335.45 27.585 105.2395       45.57263 
1 1 1 10  2  3  o 901.220 16.932 172.345 6.4623 168.741 9.1034  176.006 9.1751 890.773 24.132 909.797 23.814 -19.02509      33.90331 
1 1 1 10  2  4  o 447.579 16.064 42.504  3.0449 39.826  4.2751  45.261  4.3378 432.130 23.448 461.446 22.198 -29.31580      32.28880 
1 1 1 10  2  5  o 527.342 23.078 59.143  5.1540 0.0000  0.0000  59.143  5.1540 ?       ?      527.342 23.078 0.000000       23.07842 
1 1 1 10  2  6  f 826.820 16.931 145.114 5.9284 129.144 8.2947  161.791 8.4763 778.838 25.148 872.138 22.950 -93.30054      34.04598 
1 1 1 10  2  7  o 699.740 16.598 103.936 4.9186 108.236 6.9522  99.626  6.9598 713.254 23.016 684.153 24.021 29.10156       33.26827 
1 1 1 10  2  8  o 623.353 16.536 82.486  4.3651 83.586  6.1645  81.379  6.1821 626.729 23.226 618.348 23.608 8.381775       33.11749 
1 1 1 10  2  9  o 379.223 19.424 30.640  3.1090 33.370  5.3727  29.265  3.8121 393.711 32.514 369.915 24.473 23.79639       40.69509 
1 1 1 10  2  10 o 409.338 23.621 35.799  4.0773 31.188  5.6769  40.712  5.8600 379.702 35.724 435.064 32.030 -55.36206      47.98067 
1 1 1 10  2  11 o 803.392 17.160 137.144 5.8383 125.559 8.2210  148.931 8.2925 767.151 25.305 835.955 23.424 -68.80457      34.48199 
1 1 1 10  2  12 o 476.005 16.853 48.168  3.3974 49.501  4.8138  46.845  4.7954 481.633 23.601 467.811 24.289 13.82236       33.86675 
1 1 1 10  2  13 o 704.112 17.010 105.471 5.0722 110.803 7.1877  100.182 7.1588 720.142 23.568 684.459 24.697 35.68317       34.13829 
1 1 1 10  2  14 o 209.082 19.549 9.4010  1.7109 11.728  2.4961  7.3388  2.3496 232.564 25.777 182.020 31.629 50.54314       40.80310 
1 1 1 10  2  15 o 252.753 26.890 13.872  2.8341 14.219  4.1144  13.558  3.9095 252.361 39.818 246.654 38.701 5.706238       55.52738 
1 1 1 10  2  16 o 344.849 17.491 25.423  2.5460 27.676  3.6527  23.294  3.5507 358.321 24.213 328.203 25.753 30.11810       35.34818 
1 1 1 10  2  17 o 400.406 24.105 34.621  4.0683 32.579  5.6859  36.762  5.8236 384.113 35.351 408.833 33.943 -24.71927      49.00777 
1 1 1 10  2  18 o 659.597 17.103 92.958  4.7775 100.801 6.7848  85.245  6.7284 684.177 23.417 628.303 25.287 55.87408       34.46407 
1 1 1 10  2  19 o 347.181 17.615 25.860  2.5814 26.178  3.6883  25.555  3.6142 346.944 25.277 342.846 25.066 4.097839       35.59795 
1 1 1 10  2  20 o 201.454 24.550 8.9208  2.0512 8.6077  2.5608  9.4813  3.4262 195.392 32.059 201.599 41.514 -6.207458      52.45164 
1 1 1 10  2  21 o 357.060 20.762 27.570  3.1259 28.500  5.6626  27.162  3.7489 354.468 38.332 352.647 25.270 1.821228       45.91240 
1 1 1 10  3  0  o 673.637 16.093 96.258  4.5909 101.193 6.4526  91.200  6.5332 690.147 22.077 655.032 23.552 35.11450       32.28138 
1 1 1 10  3  1  o 424.338 22.580 38.371  4.0431 45.049  5.7111  31.661  5.7247 458.912 29.543 383.365 35.670 75.54727       46.31607 
1 1 1 10  3  2  o 352.883 18.798 26.509  2.7990 24.947  4.7756  27.327  3.4546 340.253 33.580 357.844 22.917 -17.59143      40.65474 
1 1 1 10  3  3  o 195.811 18.046 8.2072  1.4796 8.9515  2.0705  7.4304  2.1152 203.706 24.492 184.756 27.904 18.95036       37.12797 
1 1 1 10  3  4  o 487.051 16.149 50.333  3.3309 50.008  4.6739  50.668  4.7483 484.986 22.757 488.160 22.968 -3.174042      32.33288 
1 1 1 10  3  5  o 802.644 23.820 137.057 8.0966 0.0000  0.0000  137.057 8.0966 ?       ?      802.644 23.820 0.000000       23.81958 
1 1 1 10  3  6  o 674.869 16.531 96.668  4.7245 95.606  6.6447  97.754  6.7189 670.353 23.406 677.844 23.406 -7.490479      33.10102 
1 1 1 10  3  7  o 743.480 16.675 117.340 5.2502 111.388 7.3610  123.503 7.4904 723.401 24.028 761.858 23.216 -38.45697      33.41135 
1 1 1 10  3  8  o 439.426 18.876 41.022  3.5127 40.152  4.2785  42.822  6.1529 433.738 23.379 446.316 32.783 -12.57889      40.26504 
1 1 1 10  3  9  o 1324.73 18.958 372.868 10.636 367.291 14.973  378.547 15.110 1312.50 26.939 1332.51 26.776 -20.01477      37.98243 
1 1 1 10  3  10 o 523.372 23.360 58.327  5.1775 61.687  7.2633  54.857  7.3824 535.964 32.149 504.704 34.751 31.25974       47.34144 
1 1 1 10  3  11 o 1021.40 17.740 221.734 7.6733 236.323 10.855  207.162 10.849 1052.72 24.348 985.145 26.003 67.57599       35.62315 
1 1 1 10  3  12 o 341.305 17.404 24.835  2.5072 26.462  3.5594  23.233  3.5323 351.271 24.072 328.762 25.572 22.50900       35.11958 
1 1 1 10  3  13 o 317.439 17.662 21.512  2.3650 21.020  3.3289  22.012  3.3604 312.430 25.379 319.841 25.009 -7.411072      35.63053 
1 1 1 10  3  14 o 773.190 17.153 127.274 5.6165 129.919 7.9051  124.578 7.9813 779.183 23.956 762.742 24.709 16.44135       34.41557 
1 1 1 10  3  15 o 160.474 34.470 5.7875  2.2727 6.1922  3.5226  5.4989  2.9745 165.172 47.695 155.824 43.444 9.348679       64.51513 
1 1 1 10  3  16 o 394.593 17.205 33.198  2.8751 31.083  4.0738  35.296  4.0582 379.446 25.500 404.940 23.769 -25.49356      34.85980 
1 1 1 10  3  17 o 269.351 18.306 15.578  2.0758 14.770  2.9202  16.403  2.9513 260.150 26.894 274.640 25.672 -14.48978      37.18027 
1 1 1 10  3  18 o 433.226 17.156 40.106  3.1476 42.648  4.4726  37.611  4.4305 444.259 23.860 416.629 25.229 27.62988       34.72504 
1 1 1 10  3  19 o 177.211 22.265 6.8644  1.6341 9.1289  2.4420  5.0282  2.1989 202.735 29.293 148.063 35.523 54.67136       46.04283 
1 1 1 10  3  20 o 378.530 17.437 30.712  2.7953 31.309  3.9268  30.100  3.9799 379.189 24.586 371.396 25.458 7.793091       35.39167 
1 1 1 10  3  21 o 648.498 20.054 90.550  5.5075 103.452 9.8214  84.632  6.6518 682.661 33.972 623.978 25.173 58.68304       42.28212 
1 1 1 10  4  0  o 597.503 15.956 75.729  4.0375 74.926  5.6527  76.564  5.7689 593.814 22.478 600.250 22.694 -6.435852      31.94192 
1 1 1 10  4  1  o 248.388 24.137 13.240  2.5069 13.527  3.5055  12.940  3.5864 249.475 34.071 243.574 35.840 5.900467       49.45021 
1 1 1 10  4  2  o 1106.23 25.024 260.303 11.723 246.644 16.372  274.673 16.794 1074.22 35.990 1133.91 34.972 -59.69116      50.18278 
1 1 1 10  4  3  o 713.135 16.326 107.903 4.9306 106.538 6.9084  109.320 7.0394 707.904 23.044 717.070 23.181 -9.166016      32.68610 
1 1 1 10  4  4  o 577.605 16.173 70.791  3.9562 75.205  5.5619  66.271  5.6285 594.807 22.080 558.184 23.811 36.62244       32.47274 
1 1 1 10  4  5  o 414.241 18.886 36.443  3.3131 37.418  5.6988  35.945  4.0720 417.298 32.504 410.400 23.527 6.897888       40.12511 
1 1 1 10  4  6  o 1335.24 21.765 379.082 12.307 386.565 15.035  363.883 21.427 1347.06 26.355 1302.33 38.850 44.73096       46.94604 
1 1 1 10  4  7  f 380.263 16.581 30.695  2.6701 33.274  3.7498  28.043  3.8030 394.863 22.518 362.045 24.956 32.81821       33.61335 
1 1 1 10  4  8  o 547.223 19.077 63.623  4.4209 65.768  5.4140  59.329  7.6589 555.947 22.995 525.302 34.622 30.64545       41.56303 
1 1 1 10  4  9  o 603.354 16.476 77.284  4.2098 80.360  5.9241  74.146  5.9836 614.518 22.764 590.123 23.943 24.39520       33.03704 
1 1 1 10  4  10 o 853.705 19.689 154.948 7.1183 150.956 8.6832  163.127 12.430 841.737 24.359 872.578 33.637 -30.84186      41.53083 
1 1 1 10  4  11 o 620.461 16.749 81.794  4.4009 80.831  6.1544  82.801  6.2956 615.768 23.601 623.184 23.855 -7.415344      33.55667 
1 1 1 10  4  12 o 717.279 16.996 109.392 5.1629 113.567 7.2756  105.157 7.3274 729.457 23.552 701.661 24.659 27.79651       34.09951 
1 1 1 10  4  13 o 421.818 16.894 37.855  3.0179 34.380  4.2237  41.479  4.3137 400.107 25.053 440.029 23.231 -39.92169      34.16669 
1 1 1 10  4  14 o 426.991 17.104 38.816  3.0929 44.458  4.4396  33.496  4.3112 455.385 23.096 394.440 25.954 60.94540       34.74263 
1 1 1 10  4  15 o 195.126 30.873 8.4079  2.4663 7.2688  3.4992  9.5324  3.4766 178.141 46.048 205.206 41.433 -27.06451      61.94412 
1 1 1 10  4  16 o 173.465 24.835 6.5895  1.7723 5.8321  2.1756  8.0842  3.0560 161.121 32.995 188.675 39.513 -27.55348      51.47760 
1 1 1 10  4  17 o 344.942 17.659 25.485  2.5710 24.529  3.6356  26.441  3.6362 336.248 25.726 349.487 24.728 -13.23938      35.68339 
1 1 1 10  4  18 o 452.160 17.023 43.684  3.2596 41.446  4.5768  45.988  4.6436 437.562 24.801 461.354 23.849 -23.79272      34.40694 
1 1 1 10  4  19 o 242.837 19.230 12.725  1.9614 11.947  2.7874  13.489  2.7605 232.493 28.936 247.971 26.708 -15.47766      39.37817 
1 1 1 10  4  20 o 187.280 21.255 7.6543  1.6559 6.5867  2.3752  8.6641  2.3098 169.658 34.238 197.230 28.479 -27.57233      44.53461 
1 1 1 10  4  21 o 558.770 20.030 67.227  4.7397 77.378  8.4946  62.638  5.7114 589.362 34.181 536.815 25.123 52.54614       42.42069 
1 1 1 10  5  0  o 545.885 15.878 63.210  3.6706 60.235  5.1123  66.376  5.2736 532.395 22.674 558.911 22.280 -26.51636      31.78901 
1 1 1 10  5  1  o 458.276 22.594 44.633  4.3849 48.693  6.2089  40.592  6.1934 476.934 30.907 434.767 33.906 42.16690       45.87880 
1 1 1 10  5  2  o 505.908 22.743 54.401  4.8726 57.389  6.8370  51.317  6.9461 517.808 31.326 489.111 33.741 28.69690       46.04079 
1 1 1 10  5  3  o 260.869 16.894 14.501  1.8563 14.029  2.6245  14.974  2.6259 255.653 24.543 264.309 23.712 -8.656204      34.12639 
1 1 1 10  5  4  o 478.852 18.443 48.686  3.7400 48.820  4.5663  48.412  6.5189 479.192 22.501 475.037 32.602 4.154541       39.61308 
1 1 1 10  5  5  o 753.850 16.587 120.613 5.2952 126.826 7.4357  114.221 7.5426 772.231 22.737 732.623 24.311 39.60803       33.28620 
1 1 1 10  5  6  o 680.097 19.029 98.253  5.4807 96.612  6.6716  101.658 9.6115 673.847 23.379 689.590 32.912 -15.74371      40.37068 
1 1 1 10  5  7  o 577.256 16.303 70.732  3.9855 66.596  5.5723  75.063  5.7029 559.388 23.522 593.994 22.671 -34.60590      32.66876 
1 1 1 10  5  8  o 640.795 23.305 87.389  6.3242 82.867  8.8624  92.082  9.0274 621.366 33.806 656.207 32.485 -34.84088      46.88414 
1 1 1 10  5  9  o 460.576 19.152 45.078  3.7356 46.097  6.3478  44.538  4.6204 463.090 32.576 456.731 23.971 6.358978       40.44482 
1 1 1 10  5  10 o 657.221 16.566 91.728  4.6109 94.098  6.4854  89.305  6.5567 664.755 23.037 647.465 23.913 17.28998       33.20434 
1 1 1 10  5  11 o 515.393 16.823 56.443  3.6720 62.135  5.1858  50.720  5.2001 539.986 22.677 486.848 25.309 53.13754       33.98240 
1 1 1 10  5  12 o 884.450 17.389 166.370 6.5132 165.880 9.1812  166.867 9.2411 881.205 24.603 883.794 24.690 -2.589783      34.85538 
1 1 1 10  5  13 o 342.527 17.755 25.041  2.5667 24.084  3.5727  26.062  3.6899 334.503 25.410 348.090 25.201 -13.58661      35.78801 
1 1 1 10  5  14 o 116.732 27.740 3.0428  1.3511 2.3968  1.8817  3.7302  1.9412 107.460 35.540 129.069 34.745 -21.60814      49.70222 
1 1 1 10  5  15 o 297.962 27.202 19.238  3.3946 17.760  4.6893  20.866  4.9204 282.326 40.370 306.986 38.708 -24.65985      55.92914 
1 1 1 10  5  16 o 114.046 32.851 2.8921  1.6730 3.5684  2.3695  2.2197  2.3625 127.428 39.668 109.210 39.611 18.21869       56.05867 
1 1 1 10  5  17 o 440.902 17.249 41.518  3.2207 40.270  4.5258  42.799  4.5844 431.555 24.869 445.106 24.414 -13.55130      34.84965 
1 1 1 10  5  18 f 208.001 24.193 9.4484  2.0912 9.4840  3.8083  9.4329  2.5023 201.507 45.680 206.350 29.472 -4.842941      54.36230 
1 1 1 10  5  19 o 345.849 20.978 25.816  3.0579 32.092  5.6357  23.197  3.6405 379.414 35.486 325.877 26.611 53.53690       44.35595 
1 1 1 10  5  20 o 410.520 20.016 36.272  3.4799 31.302  6.0679  38.708  4.2478 371.292 39.182 422.019 23.866 -50.72745      45.87830 
1 1 1 10  5  21 o 312.351 21.174 21.140  2.7843 19.714  5.0200  21.773  3.3462 292.303 41.738 315.522 25.254 -23.21912      48.78401 
1 1 1 10  6  0  o 978.696 19.530 203.371 8.0946 198.802 9.8632  212.796 14.167 966.958 24.086 998.493 33.504 -31.53571      41.26290 
1 1 1 10  6  1  o 874.573 19.293 162.397 7.1455 167.423 12.250  159.805 8.7972 885.780 32.657 866.933 23.962 18.84686       40.50445 
1 1 1 10  6  2  o 670.926 23.004 95.694  6.5362 97.427  9.1974  93.925  9.2905 675.707 32.141 663.299 33.074 12.40790       46.11898 
1 1 1 10  6  3  f 784.356 16.486 130.546 5.4761 130.492 7.6996  130.600 7.7900 783.380 23.209 783.667 23.472 -0.2871094     33.00919 
1 1 1 10  6  4  o 495.040 18.446 52.036  3.8671 52.957  4.7187  50.152  6.7487 499.080 22.326 483.389 33.168 15.69141       39.98158 
1 1 1 10  6  5  o 991.308 17.363 208.620 7.2892 226.430 10.301  190.762 10.315 1031.63 23.579 946.466 25.736 85.16394       34.90451 
1 1 1 10  6  6  o 550.241 18.819 64.313  4.3853 66.583  5.3570  59.701  7.6354 559.474 22.610 527.111 34.393 32.36267       41.15937 
1 1 1 10  6  7  o 650.778 16.459 89.903  4.5362 91.258  6.3614  88.501  6.4703 654.889 22.937 644.816 23.694 10.07306       32.97787 
1 1 1 10  6  8  o 511.764 23.063 55.736  4.9984 52.279  6.9785  59.378  7.1626 493.145 33.616 525.992 32.311 -32.84622      46.62652 
1 1 1 10  6  9  o 553.411 23.372 65.199  5.4775 65.447  7.6646  64.940  7.8309 552.057 32.934 549.704 33.803 2.353088       47.19375 
1 1 1 10  6  10 o 663.585 16.594 93.520  4.6634 93.298  6.5372  93.750  6.6543 661.833 23.324 663.375 23.687 -1.541992      33.24244 
1 1 1 10  6  11 o 283.157 18.019 17.115  2.1495 17.785  2.9735  16.383  3.1109 287.674 24.645 275.597 27.001 12.07693       36.55737 
1 1 1 10  6  12 o 672.566 16.877 96.191  4.8069 96.432  6.7509  95.942  6.8460 672.018 23.721 670.214 24.120 1.803589       33.83034 
1 1 1 10  6  13 o 360.673 20.058 27.819  3.0516 25.371  5.2850  29.044  3.7377 340.224 37.291 367.754 24.133 -27.53012      44.41915 
1 1 1 10  6  14 f 206.094 24.300 9.2169  2.0801 7.3279  3.7876  10.033  2.4891 178.992 48.680 214.309 28.103 -35.31696      56.20938 
1 1 1 10  6  15 o 402.184 24.987 34.829  4.2347 30.931  5.8779  39.036  6.1062 374.971 37.519 422.824 34.399 -47.85266      50.90137 
1 1 1 10  6  16 o 254.040 38.309 14.439  3.9933 0.0000  0.0000  14.439  3.9933 ?       ?      254.040 38.309 0.000000       38.30904 
1 1 1 10  6  17 o 459.524 20.061 45.245  3.9039 46.514  6.9075  44.650  4.7321 458.814 35.835 454.488 24.679 4.325439       43.51027 
1 1 1 10  6  18 o 664.637 20.026 94.735  5.6366 95.684  9.7573  94.260  6.9054 658.554 35.113 660.806 24.676 -2.252136      42.91631 
1 1 1 10  6  19 o 682.460 20.034 100.064 5.7901 99.969  9.9987  100.113 7.1020 671.220 35.299 680.102 24.658 -8.882324      43.05873 
1 1 1 10  6  20 o 161.502 27.365 5.8363  1.8048 3.7272  3.1853  6.8335  2.1902 131.796 46.192 173.934 30.865 -42.13795      55.55461 
1 1 1 10  6  21 o 238.147 22.806 12.377  2.2719 11.055  4.1227  12.954  2.7227 215.392 46.554 242.274 26.996 -26.88199      53.81496 
1 1 1 10  7  0  o 714.580 22.613 108.524 6.8431 107.775 9.5637  109.309 9.7957 710.833 31.770 715.781 32.316 -4.948181      45.31680 
1 1 1 10  7  1  o 316.584 23.693 21.428  3.1535 0.0000  0.0000  21.428  3.1535 ?       ?      316.584 23.693 0.000000       23.69311 
1 1 1 10  7  2  o 716.657 23.062 109.194 6.9992 115.849 9.7863  102.225 10.014 736.908 31.359 691.736 34.185 45.17194       46.38957 
1 1 1 10  7  3  o 350.362 18.713 26.139  2.7665 27.830  4.8438  25.320  3.3702 359.659 32.141 344.283 23.252 15.37595       39.66931 
1 1 1 10  7  4  o 776.369 23.319 128.210 7.6671 129.903 10.850  126.521 10.836 779.740 32.857 769.438 33.254 10.30096       46.74869 
1 1 1 10  7  5  o 567.129 18.766 68.315  4.5072 70.760  7.8166  67.097  5.5166 574.582 32.254 561.596 23.196 12.98608       39.72842 
1 1 1 10  7  6  o 641.843 23.213 87.659  6.3098 88.819  8.8197  86.443  9.0308 643.783 32.454 634.790 33.714 8.992859       46.79641 
1 1 1 10  7  7  o 582.367 18.902 72.055  4.6618 72.483  8.0571  71.840  5.7156 581.228 32.868 581.000 23.230 0.2274780      40.24824 
1 1 1 10  7  8  o 349.945 24.149 26.197  3.5569 25.367  5.0670  27.004  4.9943 342.300 35.469 353.632 33.759 -11.33228      48.96649 
1 1 1 10  7  9  o 339.844 35.017 25.008  4.9675 0.0000  0.0000  25.008  4.9675 ?       ?      339.844 35.017 0.000000       35.01729 
1 1 1 10  7  10 o 395.604 19.149 33.274  3.2081 29.647  5.4396  35.209  3.9725 370.048 35.132 405.902 23.206 -35.85403      42.10486 
1 1 1 10  7  11 o 501.601 19.364 53.537  4.1134 54.045  7.0645  53.277  5.0594 500.467 33.526 499.740 23.906 0.7269897      41.17645 
1 1 1 10  7  12 o 387.709 20.174 32.113  3.3010 32.652  5.6844  31.839  4.0548 387.566 35.012 385.137 24.996 2.429260       43.01845 
1 1 1 10  7  13 o 498.917 19.608 53.063  4.1430 54.266  7.1925  52.465  5.0682 500.050 34.169 495.241 24.165 4.809174       41.85080 
1 1 1 10  7  14 o 161.440 27.568 5.7503  1.8171 6.6053  3.2739  5.3697  2.1844 170.240 44.803 154.578 34.268 15.66266       56.40566 
1 1 1 10  7  15 o 386.094 25.078 32.121  4.0782 32.963  5.6841  31.227  5.8545 388.035 34.965 376.798 37.174 11.23676       51.03381 
1 1 1 10  7  16 o 319.839 36.411 22.649  4.8439 0.0000  0.0000  22.649  4.8439 ?       ?      319.839 36.411 0.000000       36.41066 
1 1 1 10  7  17 o 279.746 21.966 16.911  2.5814 19.368  4.5575  15.750  3.1323 294.235 37.422 268.227 27.988 26.00735       46.73009 
1 1 1 10  7  18 o 309.338 21.034 20.643  2.7391 19.139  4.6788  21.427  3.3786 291.419 38.881 313.801 25.648 -22.38126      46.57862 
1 1 1 10  7  19 o 472.603 20.217 48.014  4.0463 47.776  7.0107  48.132  4.9548 462.738 36.060 470.736 24.943 -7.998077      43.84613 
1 1 1 10  7  20 o 369.532 20.871 29.531  3.2528 32.583  5.7526  28.096  3.9438 380.569 36.126 358.283 26.174 22.28665       44.61124 
1 1 1 10  7  21 o 111.155 33.491 2.7791  1.7066 4.2347  3.2135  2.2073  2.0142 137.604 46.460 104.254 36.718 33.35072       59.21784 
1 1 1 10  8  0  o 460.529 22.239 45.072  4.3373 42.473  5.9913  47.935  6.2871 445.062 32.001 473.027 31.566 -27.96442      44.95003 
1 1 1 10  8  1  o 575.209 22.774 70.334  5.5476 0.0000  0.0000  70.334  5.5476 ?       ?      575.209 22.774 0.000000       22.77385 
1 1 1 10  8  2  o 575.801 22.554 70.483  5.4997 63.223  7.5934  78.493  7.9762 543.106 33.174 605.760 31.198 -62.65308      45.53915 
1 1 1 10  8  3  o 714.748 18.935 108.490 5.7314 108.295 9.7962  108.592 7.0672 712.085 32.485 714.540 23.355 -2.454773      40.00904 
1 1 1 10  8  4  o 658.253 32.592 92.584  9.0855 0.0000  0.0000  92.584  9.0855 ?       ?      658.253 32.592 0.000000       32.59209 
1 1 1 10  8  5  o 490.665 18.777 51.138  3.9017 55.351  6.7776  49.050  4.7717 508.052 31.659 480.120 23.468 27.93216       39.40829 
1 1 1 10  8  6  o 424.155 23.403 38.403  4.1876 34.817  5.8604  42.144  5.9858 401.795 34.785 442.882 32.133 -41.08716      47.35519 
1 1 1 10  8  7  o 493.691 18.838 51.783  3.9386 54.463  6.7673  50.411  4.8434 503.746 31.887 486.649 23.501 17.09662       39.61151 
1 1 1 10  8  8  o 450.538 23.402 43.324  4.4496 46.518  6.3487  40.240  6.2382 465.246 32.425 432.147 34.371 33.09857       47.25200 
1 1 1 10  8  9  o 900.279 35.198 173.800 13.420 0.0000  0.0000  173.800 13.420 ?       ?      900.279 35.198 0.000000       35.19826 
1 1 1 10  8  10 o 831.990 19.690 147.227 6.9377 159.754 12.073  141.051 8.4770 863.186 33.028 813.336 24.611 49.84930       41.18892 
1 1 1 10  8  11 o 738.325 19.648 116.031 6.1435 106.610 10.532  120.891 7.5636 702.731 35.505 752.728 23.727 -49.99701      42.70330 
1 1 1 10  8  12 o 264.584 21.349 15.025  2.3717 10.424  4.0922  17.352  2.9104 214.391 46.417 283.906 24.445 -69.51497      52.46026 
1 1 1 10  8  13 o 648.679 19.610 89.715  5.3870 95.134  9.3086  86.986  6.6056 663.779 33.115 637.521 24.467 26.25830       41.17265 
1 1 1 10  8  14 o 592.238 19.649 74.839  4.9282 76.609  8.5266  73.951  6.0392 593.784 34.050 587.538 24.272 6.246399       41.81533 
1 1 1 10  8  15 o 225.469 30.200 11.163  2.8112 13.216  3.9489  9.0529  4.0029 242.796 39.784 198.006 48.192 44.79012       62.49168 
1 1 1 10  8  16 o 411.874 35.098 37.324  6.0635 0.0000  0.0000  37.324  6.0635 ?       ?      411.874 35.098 0.000000       35.09756 
1 1 1 10  8  17 o 423.311 20.168 38.418  3.6154 42.013  6.3125  36.663  4.4105 436.338 34.441 411.289 25.447 25.04916       42.82235 
1 1 1 10  8  18 o 360.657 20.566 28.013  3.1282 23.355  5.3383  30.448  3.8604 321.651 40.058 374.782 24.457 -53.13077      46.93361 
1 1 1 10  8  19 o 366.569 20.849 29.014  3.2231 24.404  5.5476  31.362  3.9601 327.138 40.940 379.682 24.764 -52.54431      47.84713 
1 1 1 10  8  20 o 133.237 31.147 4.0603  1.7259 4.5206  3.0899  3.8515  2.0808 140.555 45.491 129.329 36.435 11.22589       58.28322 
1 1 1 10  8  21 o 210.519 24.598 9.7458  2.1517 8.8604  3.7264  10.189  2.6354 192.468 46.285 213.468 29.978 -20.99963      55.14542 
1 1 1 10  9  0  o 443.014 22.297 41.818  4.1699 44.623  5.7709  38.754  6.0319 456.542 30.016 424.665 33.820 31.87674       45.21896 
1 1 1 10  9  1  o 403.176 22.940 34.671  3.9006 0.0000  0.0000  34.671  3.9006 ?       ?      403.176 22.940 0.000000       22.93990 
1 1 1 10  9  2  o 613.503 22.744 80.030  5.9091 73.950  8.1445  86.787  8.5864 587.523 32.865 637.619 31.798 -50.09650      45.73044 
1 1 1 10  9  3  o 416.510 18.593 36.840  3.2796 26.848  5.5141  42.310  4.0796 352.081 37.561 446.134 21.593 -94.05231      43.32576 
1 1 1 10  9  4  o 699.285 32.696 104.513 9.6827 0.0000  0.0000  104.513 9.6827 ?       ?      699.285 32.696 0.000000       32.69629 
1 1 1 10  9  5  o 170.024 24.637 6.2809  1.7222 4.3254  2.8444  7.4128  2.1640 141.533 43.363 184.286 28.660 -42.75285      51.97842 
1 1 1 10  9  6  o 525.468 23.097 58.761  5.1398 58.116  7.2204  59.423  7.3180 520.224 32.944 526.045 33.017 -5.821045      46.64130 
1 1 1 10  9  7  o 580.799 18.939 71.674  4.6582 80.273  8.0487  67.343  5.7121 612.088 31.153 562.394 23.983 49.69409       39.31588 
1 1 1 10  9  8  f 315.217 19.998 21.206  2.6557 18.451  4.6213  22.565  3.2450 290.653 38.491 324.688 23.765 -34.03506      45.23659 
1 1 1 10  9  9  o 544.819 34.989 63.914  8.0302 0.0000  0.0000  63.914  8.0302 ?       ?      544.819 34.989 0.000000       34.98891 
1 1 1 10  9  10 o 440.366 19.327 41.246  3.6044 39.192  6.2027  42.293  4.4289 425.804 34.699 444.823 23.595 -19.01843      41.96144 
1 1 1 10  9  11 f 528.085 19.637 59.370  4.3917 59.323  7.5447  59.395  5.4010 523.954 34.189 527.459 24.179 -3.505066      41.87540 
1 1 1 10  9  12 o 502.074 19.402 53.704  4.1254 56.378  7.1548  52.372  5.0492 510.384 33.285 494.994 24.087 15.39069       41.08572 
1 1 1 10  9  13 o 87.741  30.849 1.4678  1.4213 0.6684  2.5291  1.8369  1.7183 94.729  39.033 97.265  33.935 -2.535904      51.72221 
1 1 1 10  9  14 o 185.581 25.559 7.5220  1.9555 3.4445  3.3660  9.5992  2.4025 132.884 47.394 209.547 27.756 -76.66310      54.92384 
1 1 1 10  9  15 o 269.596 27.204 15.799  3.0635 19.607  4.4237  12.290  4.2466 298.055 35.761 232.191 44.810 65.86488       57.33013 
1 1 1 10  9  16 o 278.476 37.006 17.292  4.2561 0.0000  0.0000  17.292  4.2561 ?       ?      278.476 37.006 0.000000       37.00612 
1 1 1 10  9  17 o 480.802 19.963 49.561  4.0647 56.261  7.0922  46.283  4.9602 505.770 33.298 462.201 25.439 43.56876       41.90367 
1 1 1 10  9  18 o 336.013 20.860 24.346  2.9537 22.131  5.1409  25.437  3.6088 313.032 39.670 342.140 25.081 -29.10834      46.93359 
1 1 1 10  9  19 o 221.191 23.521 10.695  2.1695 7.9798  3.8396  11.969  2.6294 182.496 48.755 232.963 27.162 -50.46753      55.81062 
1 1 1 10  9  20 o 206.436 24.872 9.3851  2.1306 13.933  3.9628  7.5356  2.5270 246.003 39.365 181.585 34.113 64.41750       52.08941 
1 1 1 10  10 0  o 604.049 22.577 77.567  5.7754 0.0000  0.0000  77.567  5.7754 ?       ?      604.049 22.577 0.000000       22.57712 
1 1 1 10  10 1  o 203.821 27.619 9.0088  2.3226 0.0000  0.0000  9.0088  2.3226 ?       ?      203.821 27.619 0.000000       27.61897 
1 1 1 10  10 2  o 313.522 23.507 21.025  3.0984 23.419  4.2148  18.210  4.5704 329.917 30.513 289.085 38.274 40.83185       48.94786 
1 1 1 10  10 3  o 831.653 19.138 146.916 6.7403 154.428 11.468  142.952 8.3310 850.279 31.849 819.617 24.002 30.66205       39.88070 
1 1 1 10  10 4  o 697.024 32.782 103.869 9.6766 0.0000  0.0000  103.869 9.6766 ?       ?      697.024 32.782 0.000000       32.78160 
1 1 1 10  10 5  o 927.734 19.672 182.904 7.7290 203.994 13.264  172.062 9.5104 976.861 32.062 898.828 24.985 78.03296       40.64788 
1 1 1 10  10 6  o 701.660 19.104 104.614 5.6765 101.102 9.6176  106.491 7.0320 687.396 33.038 707.296 23.477 -19.90051      40.53004 
1 1 1 10  10 7  o 549.867 22.912 64.350  5.3353 68.078  7.5574  60.646  7.5332 563.371 31.806 531.211 33.660 32.16003       46.31047 
1 1 1 10  10 8  o 398.130 19.360 33.690  3.2642 34.112  5.6630  33.480  3.9945 397.666 33.952 395.783 23.945 1.883209       41.54634 
1 1 1 10  10 9  f 367.421 24.880 28.907  3.8486 27.646  5.3345  30.276  5.5577 357.148 35.750 373.956 35.520 -16.80792      50.39598 
1 1 1 10  10 10 o 460.228 19.627 45.066  3.8253 48.948  6.5076  43.017  4.7285 476.602 32.435 448.291 25.006 28.31155       40.95545 
1 1 1 10  10 11 o 261.692 22.141 14.707  2.4307 12.561  4.0590  15.907  3.0351 237.256 41.931 271.394 26.756 -34.13762      49.74028 
1 1 1 10  10 12 o 259.117 22.735 14.448  2.4696 16.852  4.0942  13.073  3.0962 277.003 35.735 244.752 30.536 32.25146       47.00456 
1 1 1 10  10 13 o 281.397 21.463 17.009  2.5384 19.384  4.3727  15.802  3.1174 297.087 35.456 269.874 27.668 27.21259       44.97380 
1 1 1 10  10 14 o 342.289 20.308 25.107  2.9306 21.009  4.9582  27.306  3.6331 307.993 38.880 356.148 24.232 -48.15540      45.81299 
1 1 1 10  10 15 o 339.442 25.875 24.918  3.6915 21.990  5.0734  28.212  5.3814 314.586 38.911 357.971 35.986 -43.38565      53.00036 
1 1 1 10  10 16 o 231.720 38.403 12.115  3.6366 0.0000  0.0000  12.115  3.6366 ?       ?      231.720 38.403 0.000000       38.40335 
1 1 1 10  10 17 o 525.439 19.618 59.177  4.3653 53.313  7.3894  62.321  5.4103 490.701 35.806 537.696 23.760 -46.99524      42.97203 
1 1 1 10  10 18 o 561.870 19.721 67.744  4.6925 72.556  8.0730  65.289  5.7668 573.591 33.379 549.492 24.781 24.09845       41.57228 
1 1 1 10  10 19 o 282.804 22.258 17.373  2.6442 16.653  4.5998  17.728  3.2315 268.649 41.789 283.962 27.205 -15.31281      49.86382 
1 1 1 10  10 20 o 255.838 22.201 14.256  2.3816 18.729  4.2117  12.153  2.8875 287.920 35.280 233.396 29.901 54.52316       46.24662 
1 1 1 10  11 0  o 1030.69 24.196 226.002 10.561 0.0000  0.0000  226.002 10.561 ?       ?      1030.69 24.196 0.000000       24.19636 
1 1 1 10  11 1  o 638.325 22.179 86.629  5.9955 87.208  8.2534  85.981  8.7239 639.305 30.485 633.625 32.622 5.680237       44.64876 
1 1 1 10  11 2  o 1277.01 20.923 346.602 11.315 341.678 19.234  349.208 13.993 1263.31 35.951 1280.56 25.803 -17.25049      44.25256 
1 1 1 10  11 3  o 880.856 19.252 164.837 7.1816 160.898 12.174  166.940 8.8938 867.469 33.140 885.703 23.711 -18.23431      40.74901 
1 1 1 10  11 4  o 358.720 23.890 27.510  3.6084 0.0000  0.0000  27.510  3.6084 ?       ?      358.720 23.890 0.000000       23.88969 
1 1 1 10  11 5  o 665.438 18.922 94.083  5.3324 72.428  8.9466  106.014 6.6409 580.044 36.609 705.919 22.214 -125.8746      42.82153 
1 1 1 10  11 6  f 441.036 19.190 41.336  3.5842 39.500  6.0602  42.323  4.4450 428.256 33.687 445.240 23.659 -16.98380      41.16504 
1 1 1 10  11 7  o 651.133 23.141 90.252  6.3811 98.937  8.9912  81.438  9.0577 680.271 31.210 615.501 34.893 64.76984       46.81418 
1 1 1 10  11 8  o 1105.20 25.475 260.380 11.923 0.0000  0.0000  260.380 11.923 ?       ?      1105.20 25.475 0.000000       25.47511 
1 1 1 10  11 9  o 542.310 23.709 62.672  5.4450 53.920  7.4740  72.571  7.9487 499.845 35.540 581.094 32.429 -81.24905      48.11161 
1 1 1 10  11 10 o 601.927 19.371 77.097  4.9378 74.283  8.4217  78.571  6.0955 586.907 34.029 606.911 23.716 -20.00439      41.47824 
1 1 1 10  11 11 o 220.359 24.149 10.494  2.2166 9.1154  3.6238  11.319  2.8020 200.860 43.833 227.816 29.753 -26.95613      52.97752 
1 1 1 10  11 12 o 349.329 20.670 26.122  3.0443 22.700  5.0486  28.077  3.8161 321.376 37.819 361.307 25.096 -39.93124      45.38780 
1 1 1 10  11 13 o 971.004 20.478 201.281 8.4207 200.599 14.373  201.638 10.391 961.678 35.291 969.789 25.300 -8.111206      43.42320 
1 1 1 10  11 14 o 747.248 24.176 119.711 7.6506 124.349 10.708  114.876 10.934 757.357 33.387 726.821 35.524 30.53601       48.75061 
1 1 1 10  11 15 o 517.397 19.723 57.223  4.3215 59.227  7.4170  56.192  5.3174 520.650 33.822 511.397 24.552 9.252960       41.79418 
1 1 1 10  11 16 o 220.198 40.732 11.061  3.6584 0.0000  0.0000  11.061  3.6584 ?       ?      220.198 40.732 0.000000       40.73184 
1 1 1 10  11 17 o 301.870 21.076 19.664  2.6774 18.764  4.5720  20.134  3.3030 288.728 38.340 304.038 25.900 -15.31052      46.26811 
1 1 1 10  11 18 o 189.672 25.331 7.9184  1.9838 5.7857  3.3421  9.0787  2.4651 157.504 46.734 201.977 29.707 -44.47290      55.37703 
1 1 1 10  11 19 o 157.014 28.785 5.5522  1.8435 5.9434  3.1519  5.3487  2.2728 158.550 44.904 152.080 35.871 6.470078       57.47244 
1 1 1 10  11 20 o 332.101 20.918 23.892  2.9268 25.629  5.0065  22.990  3.6075 337.063 35.613 323.527 26.565 13.53503       44.42945 
1 1 1 10  12 0  o 628.869 22.449 84.092  5.9785 0.0000  0.0000  84.092  5.9785 ?       ?      628.869 22.449 0.000000       22.44866 
1 1 1 10  12 1  o 814.596 22.631 141.125 7.8071 134.992 10.722  148.048 11.391 794.994 31.846 832.448 32.311 -37.45374      45.36667 
1 1 1 10  12 2  o 1030.16 19.584 225.475 8.5436 227.208 14.480  224.549 10.582 1030.84 33.168 1027.09 24.328 3.750854       41.13401 
1 1 1 10  12 3  o 674.952 18.521 96.767  5.2940 98.349  8.9049  95.902  6.5839 678.532 30.990 671.334 23.158 7.198120       38.68637 
1 1 1 10  12 4  o 699.994 23.146 104.281 6.8613 0.0000  0.0000  104.281 6.8613 ?       ?      699.994 23.146 0.000000       23.14566 
1 1 1 10  12 5  o 1177.36 20.672 294.744 10.307 272.241 17.539  306.616 12.739 1126.47 36.765 1199.66 25.075 -73.19629      44.50198 
1 1 1 10  12 6  o 422.214 18.989 37.882  3.3954 37.341  5.7582  38.171  4.2040 416.442 32.919 422.762 23.575 -6.319550      40.48992 
1 1 1 10  12 7  o 257.089 37.301 14.475  3.9426 14.475  3.9426  0.0000  0.0000 257.089 37.301 ?       ?      0.000000       37.30124 
1 1 1 10  12 8  o 915.408 35.021 179.765 13.576 0.0000  0.0000  179.765 13.576 ?       ?      915.408 35.021 0.000000       35.02092 
1 1 1 10  12 9  o 891.456 19.811 169.059 7.4793 166.820 12.763  170.230 9.2301 881.483 34.190 893.465 24.394 -11.98242      42.00069 
1 1 1 10  12 10 o 1085.54 20.692 250.997 9.5126 230.691 16.217  261.650 11.746 1034.00 37.033 1106.81 25.059 -72.80737      44.71485 
1 1 1 10  12 11 o 297.694 21.259 18.996  2.6625 21.915  4.4972  17.420  3.3037 317.058 34.026 283.749 27.852 33.30911       43.97113 
1 1 1 10  12 12 o 244.743 23.083 12.917  2.3642 10.391  3.9554  14.321  2.9489 213.875 45.091 256.882 27.537 -43.00682      52.83446 
1 1 1 10  12 13 o 594.176 19.568 75.334  4.9237 67.934  8.2993  79.353  6.1164 558.416 35.276 608.723 23.727 -50.30719      42.51266 
1 1 1 10  12 14 o 374.776 24.935 30.276  3.9350 31.710  5.5398  28.817  5.5903 380.482 34.765 361.765 37.010 18.71741       50.77750 
1 1 1 10  12 15 o 355.857 37.467 28.046  5.5615 0.0000  0.0000  28.046  5.5615 ?       ?      355.857 37.467 0.000000       37.46692 
1 1 1 10  12 16 o 465.355 19.824 46.405  3.9067 44.526  6.6291  47.405  4.8357 448.951 35.147 468.290 24.469 -19.33914      42.82573 
1 1 1 10  12 17 o 122.807 31.369 3.4211  1.6373 6.3789  2.9616  2.1192  1.9649 165.654 42.121 103.158 36.272 62.49625       55.58675 
1 1 1 10  12 18 o 454.736 20.039 44.435  3.8590 45.884  6.5978  43.682  4.7576 454.456 34.540 448.328 25.160 6.128326       42.73248 
1 1 1 10  12 19 o 226.159 23.700 11.201  2.2362 11.088  4.0000  11.253  2.6970 216.320 45.124 224.877 28.995 -8.556503      53.63665 
1 1 1 10  12 20 o 399.806 20.280 34.549  3.4225 34.961  6.0634  34.357  4.1461 393.221 36.840 396.700 24.804 -3.478851      44.41246 
1 1 1 10  13 0  o 668.597 17.853 94.917  5.0549 92.128  8.3683  96.519  6.3429 657.037 30.075 673.703 22.232 -16.66650      37.39989 
1 1 1 10  13 1  o 1259.50 24.964 337.767 13.315 329.496 18.400  346.859 19.293 1240.67 35.021 1272.62 35.798 -31.96033      50.07973 
1 1 1 10  13 2  o 275.673 19.619 16.229  2.2755 15.014  3.7221  16.955  2.8754 262.716 34.271 281.164 24.391 -18.44751      42.06423 
1 1 1 10  13 3  o 624.702 18.264 82.896  4.8318 75.067  8.1095  87.205  6.0164 591.590 32.493 640.253 22.189 -48.66296      39.34684 
1 1 1 10  13 4  o 698.484 23.110 103.845 6.8360 0.0000  0.0000  103.845 6.8360 ?       ?      698.484 23.110 0.000000       23.10995 
1 1 1 10  13 5  f 645.446 18.581 88.518  5.0789 81.116  8.5598  92.540  6.3096 614.737 33.001 659.404 22.595 -44.66687      39.99456 
1 1 1 10  13 6  o 1005.68 24.167 215.425 10.293 223.343 14.492  207.365 14.621 1021.23 33.509 983.481 35.105 37.74609       48.53032 
1 1 1 10  13 7  o 193.493 29.123 8.1712  2.3125 6.5421  3.1814  9.9960  3.3671 170.857 43.772 212.423 38.862 -41.56609      58.53428 
1 1 1 10  13 8  o 1024.27 35.666 225.300 15.471 0.0000  0.0000  225.300 15.471 ?       ?      1024.27 35.666 0.000000       35.66618 
1 1 1 10  13 9  o 194.991 25.530 8.2519  2.0575 5.5647  3.4556  9.7279  2.5610 158.832 47.611 211.225 29.430 -52.39267      55.97204 
1 1 1 10  13 10 o 103.311 32.816 2.2582  1.6137 0.3030  2.7653  3.2678  1.9871 95.427  40.177 122.054 35.989 -26.62700      53.93878 
1 1 1 10  13 11 o 348.290 20.463 25.954  3.0050 23.164  5.0510  27.483  3.7386 324.966 37.383 357.578 24.843 -32.61182      44.88504 
1 1 1 10  13 12 o 392.450 20.043 32.945  3.3199 30.045  5.5953  34.520  4.1244 370.499 36.120 400.786 24.416 -30.28787      43.59864 
1 1 1 10  13 13 o 174.856 27.261 6.7229  1.9529 3.6640  3.2715  8.4163  2.4341 134.498 46.831 195.313 30.419 -60.81491      55.84269 
1 1 1 10  13 14 o 198.350 30.337 8.6883  2.4673 9.2645  3.4474  8.0832  3.5328 201.785 41.720 187.505 45.052 14.28026       61.40192 
1 1 1 10  13 15 o 188.342 47.851 8.2683  3.8242 0.0000  0.0000  8.2683  3.8242 ?       ?      188.342 47.851 0.000000       47.85064 
1 1 1 10  13 16 o 333.418 21.038 23.960  2.9553 26.293  5.0431  22.740  3.6472 344.148 35.094 322.979 26.910 21.16901       44.22349 
1 1 1 10  13 17 o 139.209 29.818 4.3782  1.7049 4.8796  2.9110  4.1164  2.1035 145.805 43.697 134.166 36.189 11.63875       56.73699 
1 1 1 10  13 18 o 211.239 23.984 9.7729  2.1075 7.3266  3.5622  11.090  2.6141 175.533 46.988 223.852 28.201 -48.31914      54.80106 
1 1 1 10  13 19 o 208.113 25.046 9.5460  2.1631 7.9189  3.5545  10.503  2.7259 181.735 46.110 216.454 30.590 -34.71892      55.33437 
1 1 1 10  13 20 o 558.109 19.938 67.136  4.7124 58.518  7.9715  71.766  5.8427 508.939 37.244 574.766 24.004 -65.82626      44.30901 
1 1 1 10  14 0  o 305.628 18.581 19.913  2.3935 17.906  3.9639  21.065  3.0027 287.519 33.163 313.864 22.745 -26.34467      40.21311 
1 1 1 10  14 1  o 511.394 21.359 55.612  4.6256 54.806  6.2991  56.554  6.8145 505.862 29.532 513.501 31.489 -7.639343      43.17041 
1 1 1 10  14 2  o 486.855 18.031 50.345  3.7176 44.174  6.0862  54.019  4.6953 453.461 31.896 503.922 22.002 -50.46039      38.74844 
1 1 1 10  14 3  o 994.020 23.497 210.352 9.8911 194.995 13.676  227.198 14.323 954.294 33.839 1030.42 32.823 -76.13013      47.14286 
1 1 1 10  14 4  f 441.819 18.549 41.477  3.4707 35.461  5.6930  45.035  4.3784 405.625 33.440 460.009 22.476 -54.38400      40.29105 
1 1 1 10  14 5  o 169.770 24.896 6.2696  1.7367 2.4633  2.8030  8.6412  2.2126 118.087 43.098 199.522 26.869 -81.43576      50.78811 
1 1 1 10  14 6  o 435.685 22.760 40.518  4.1849 37.610  5.7628  43.763  6.0872 417.876 32.829 451.113 32.072 -33.23767      45.89494 
1 1 1 10  14 7  o 296.249 36.631 19.125  4.4978 0.0000  0.0000  19.125  4.4978 ?       ?      296.249 36.631 0.000000       36.63130 
1 1 1 10  14 8  o 705.128 23.525 105.965 7.0250 97.339  9.7131  115.427 10.172 672.568 34.215 733.720 32.738 -61.15186      47.35419 
1 1 1 10  14 9  o 951.271 19.913 192.632 8.0220 192.902 13.731  192.492 9.8842 947.047 34.236 949.610 24.578 -2.563049      42.14512 
1 1 1 10  14 10 o 484.186 19.228 49.926  3.9427 43.853  6.6768  53.177  4.8854 449.433 35.366 499.068 23.115 -49.63531      42.24960 
1 1 1 10  14 11 o 535.297 19.239 61.072  4.3612 63.765  7.3878  59.631  5.4032 542.872 32.280 527.953 24.166 14.91968       40.32384 
1 1 1 10  14 12 o 176.137 26.915 6.8093  1.9439 3.2272  3.2243  8.8549  2.4365 129.450 46.363 200.739 29.545 -71.28893      54.97698 
1 1 1 10  14 13 o 181.377 25.623 7.1975  1.9133 5.3254  3.2487  8.1918  2.3675 153.913 46.169 192.685 29.989 -38.77209      55.05386 
1 1 1 10  14 14 o 682.524 23.817 99.985  6.8843 96.025  9.6351  104.115 9.8397 663.217 34.423 691.894 33.582 -28.67627      48.09045 
1 1 1 10  14 15 o 184.323 45.556 7.9014  3.5357 0.0000  0.0000  7.9014  3.5357 ?       ?      184.323 45.556 0.000000       45.55612 
1 1 1 10  14 16 o 97.773  32.691 1.9961  1.5908 2.1793  2.5575  1.8804  2.0317 110.014 40.988 100.582 36.695 9.432587       55.01377 
1 1 1 10  14 17 o 223.272 24.460 10.896  2.2749 9.7083  3.8098  11.555  2.8361 203.397 45.383 228.239 30.074 -24.84227      54.44275 
1 1 1 10  14 18 o 308.839 21.191 20.653  2.7548 19.948  4.6519  21.034  3.4187 296.483 37.919 309.864 26.300 -13.38113      46.14723 
1 1 1 10  14 19 o 125.265 30.512 3.5924  1.6037 4.3328  2.9111  3.2698  1.9215 137.383 44.123 119.703 35.417 17.68002       56.57944 
1 1 1 10  14 20 o 302.384 22.058 19.886  2.8052 10.972  4.5118  25.504  3.5817 211.788 50.929 341.429 24.943 -129.6416      56.70929 
1 1 1 10  15 0  o 245.174 23.394 12.909  2.3995 15.277  3.3168  10.308  3.4757 265.831 29.987 215.805 39.486 50.02568       49.58162 
1 1 1 10  15 1  o 734.515 18.029 114.598 5.6082 111.716 9.2868  116.253 7.0360 723.149 30.325 739.156 22.477 -16.00726      37.74665 
1 1 1 10  15 2  o 667.440 17.978 94.629  5.0815 85.570  8.3589  99.939  6.3999 632.666 31.198 685.362 22.050 -52.69653      38.20398 
1 1 1 10  15 3  o 487.769 21.937 50.624  4.5315 45.843  6.1464  56.317  6.7071 461.914 31.611 512.305 31.061 -50.39072      44.31764 
1 1 1 10  15 4  o 388.072 23.682 32.191  3.8734 0.0000  0.0000  32.191  3.8734 ?       ?      388.072 23.682 0.000000       23.68225 
1 1 1 10  15 5  o 476.475 18.403 48.242  3.7135 45.766  6.2061  49.623  4.6348 461.382 31.959 482.808 22.668 -21.42664      39.18206 
1 1 1 10  15 6  o 751.091 22.730 120.112 7.2299 115.435 10.060  125.110 10.398 734.257 32.351 764.470 32.117 -30.21228      45.58651 
1 1 1 10  15 7  o 467.988 33.804 47.205  6.6544 0.0000  0.0000  47.205  6.6544 ?       ?      467.988 33.804 0.000000       33.80352 
1 1 1 10  15 8  o 875.531 23.743 163.456 8.8034 159.120 12.158  168.236 12.764 860.919 33.347 884.977 34.058 -24.05774      47.66469 
1 1 1 10  15 9  o 317.602 20.551 21.576  2.7493 23.908  4.8117  20.446  3.3500 331.426 34.802 308.206 25.906 23.21960       43.38563 
1 1 1 10  15 10 o 1149.60 20.798 281.836 10.125 278.192 17.364  283.714 12.464 1134.04 36.156 1151.34 25.562 -17.30139      44.27942 
1 1 1 10  15 11 o 408.753 19.600 35.631  3.3927 39.294  5.8490  33.774  4.1650 425.378 32.719 396.332 24.942 29.04623       41.14214 
1 1 1 10  15 12 o 333.304 20.818 23.823  2.9238 28.016  4.9990  21.643  3.6046 358.225 33.335 316.194 27.184 42.03030       43.01328 
1 1 1 10  15 13 o 593.407 23.532 75.487  5.9136 71.420  8.3213  79.636  8.4055 572.239 34.499 605.132 32.923 -32.89343      47.68770 
1 1 1 10  15 14 o 378.965 20.011 30.801  3.2001 33.210  5.4678  29.546  3.9466 389.218 33.499 369.718 25.360 19.50040       42.01545 
1 1 1 10  15 15 o 301.699 37.430 20.353  4.6796 0.0000  0.0000  20.353  4.6796 ?       ?      301.699 37.430 0.000000       37.42994 
1 1 1 10  15 16 o 429.112 19.992 39.516  3.6330 39.177  6.1858  39.695  4.4888 420.213 35.081 427.846 24.882 -7.632416      43.00909 
1 1 1 10  15 17 o 490.727 19.855 51.721  4.1262 49.230  7.0159  53.039  5.1018 470.389 35.481 495.187 24.328 -24.79788      43.02021 
1 1 1 10  15 18 o 164.596 35.284 6.2413  2.3856 0.0000  0.0000  6.2413  2.3856 ?       ?      164.596 35.284 0.000000       35.28428 
1 1 1 10  15 19 o 135.676 30.359 4.2098  1.7008 5.5087  2.8887  3.5206  2.1041 152.526 42.914 123.951 37.151 28.57461       56.76126 
1 1 1 10  16 0  o 269.385 23.135 15.559  2.6136 17.583  3.6610  13.456  3.7326 285.218 30.798 247.879 36.663 37.33936       47.88219 
1 1 1 10  16 1  o 842.040 22.266 150.882 7.9399 150.566 10.866  151.244 11.631 839.318 30.569 840.649 32.670 -1.330688      44.74154 
1 1 1 10  16 2  o 199.474 25.543 8.6174  2.1082 7.5297  2.8363  9.9602  3.1513 183.991 37.669 212.593 36.306 -28.60201      52.31739 
1 1 1 10  16 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  16 4  o 703.628 18.328 105.206 5.4615 101.804 9.0663  107.144 6.8423 689.879 31.032 709.395 22.776 -19.51544      38.49312 
1 1 1 10  16 5  o 1143.25 24.494 278.535 11.859 256.566 16.341  302.978 17.237 1093.49 35.288 1188.74 34.239 -95.25244      49.16872 
1 1 1 10  16 6  o 246.250 21.374 13.001  2.2069 14.862  3.6426  11.921  2.7740 261.212 33.715 234.543 28.514 26.66893       44.15648 
1 1 1 10  16 7  o 365.727 35.543 29.005  5.4355 0.0000  0.0000  29.005  5.4355 ?       ?      365.727 35.543 0.000000       35.54335 
1 1 1 10  16 8  o 354.206 20.029 26.793  2.9920 21.952  5.1130  29.314  3.6898 316.542 38.964 369.946 23.676 -53.40433      45.59332 
1 1 1 10  16 9  f 367.936 19.810 28.920  3.0754 25.128  5.2911  30.855  3.7793 338.912 37.493 379.390 23.640 -40.47739      44.32342 
1 1 1 10  16 10 o 939.311 19.873 188.116 7.9052 193.022 13.551  185.585 9.7330 945.326 33.848 931.238 24.680 14.08813       41.89032 
1 1 1 10  16 11 o 198.773 24.964 8.5960  2.0551 10.754  3.7454  7.6667  2.4581 218.240 42.050 185.841 32.412 32.39899       53.09196 
1 1 1 10  16 12 o 348.314 20.132 25.997  2.9569 26.660  5.1838  25.678  3.6000 348.443 35.631 345.108 24.798 3.335205       43.41084 
1 1 1 10  16 13 o 182.900 32.148 7.4522  2.3992 4.6384  3.2619  10.769  3.5413 145.339 46.709 218.464 39.741 -73.12605      61.32745 
1 1 1 10  16 14 o 216.332 41.292 10.665  3.6449 0.0000  0.0000  10.665  3.6449 ?       ?      216.332 41.292 0.000000       41.29179 
1 1 1 10  16 15 o 279.175 21.815 16.851  2.5587 15.122  4.3453  17.768  3.1657 257.658 41.212 285.352 26.499 -27.69403      48.99624 
1 1 1 10  16 16 o 338.901 21.088 24.786  3.0115 26.780  5.0252  23.668  3.7619 346.963 34.664 329.077 27.239 17.88605       44.08588 
1 1 1 10  16 17 o 302.291 21.578 19.786  2.7442 16.746  4.4762  21.617  3.4736 270.600 40.289 314.381 26.333 -43.78024      48.13132 
1 1 1 10  16 18 o 234.779 29.035 12.265  2.8253 0.0000  0.0000  12.265  2.8253 ?       ?      234.779 29.035 0.000000       29.03526 
1 1 1 10  16 19 f 184.850 26.941 7.6193  2.0470 9.8172  3.5392  6.5146  2.5093 203.810 42.387 167.414 36.428 36.39629       55.88942 
1 1 1 10  17 0  o 319.964 21.785 21.883  2.9344 18.672  4.0413  25.464  4.2676 293.511 33.090 343.997 29.582 -50.48654      44.38525 
1 1 1 10  17 1  o 696.706 21.589 103.282 6.3698 107.265 8.7784  98.853  9.2573 708.577 29.254 679.596 32.165 28.98169       43.47878 
1 1 1 10  17 2  o 261.106 24.107 14.646  2.6356 19.048  3.6350  9.7679  3.8269 297.182 29.263 208.768 44.637 88.41406       53.37415 
1 1 1 10  17 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  17 4  o 652.833 21.924 90.714  6.0614 84.823  8.2760  97.530  8.9023 629.643 31.037 675.137 31.136 -45.49426      43.96348 
1 1 1 10  17 5  o 759.041 30.937 123.288 9.9445 123.288 9.9445  0.0000  0.0000 759.041 30.937 ?       ?      0.000000       30.93680 
1 1 1 10  17 6  o 256.082 26.962 14.154  2.8801 0.0000  0.0000  14.154  2.8801 ?       ?      256.082 26.962 0.000000       26.96233 
1 1 1 10  17 7  o 350.244 23.735 26.278  3.4997 22.901  4.7048  30.462  5.2364 324.617 34.765 375.241 33.297 -50.62445      48.13824 
1 1 1 10  17 8  o 496.484 18.856 52.463  3.9646 50.467  6.7526  53.513  4.8976 483.279 33.195 500.788 23.093 -17.50903      40.43783 
1 1 1 10  17 9  o 344.786 19.866 25.418  2.8885 22.034  4.8158  27.319  3.6099 317.160 36.522 356.713 24.036 -39.55310      43.72189 
1 1 1 10  17 10 o 690.773 19.086 101.723 5.5835 100.419 9.5197  102.407 6.8937 681.792 32.971 691.882 23.528 -10.08917      40.50443 
1 1 1 10  17 11 o 181.186 26.462 7.1931  1.9706 6.7014  3.4759  7.4260  2.3921 171.223 46.662 182.823 32.066 -11.60014      56.61763 
1 1 1 10  17 12 o 221.332 22.956 10.604  2.1205 13.250  3.6115  9.2117  2.6195 244.250 35.994 204.152 31.296 40.09851       47.69739 
1 1 1 10  17 13 o 195.849 31.951 8.5241  2.5586 9.4587  3.7756  7.7303  3.4795 202.679 45.145 183.047 45.163 19.63184       63.85769 
1 1 1 10  17 14 o 350.210 36.384 27.215  5.3174 0.0000  0.0000  27.215  5.3174 ?       ?      350.210 36.384 0.000000       36.38436 
1 1 1 10  17 15 o 317.831 20.747 21.787  2.7772 19.987  4.6267  22.801  3.4724 298.291 37.451 323.680 25.540 -25.38892      45.33087 
1 1 1 10  17 16 o 590.731 19.538 74.902  4.8879 62.781  8.2541  81.448  6.0659 530.579 36.965 614.248 23.319 -83.66895      43.70598 
1 1 1 10  17 17 o 524.920 19.564 59.243  4.3490 50.459  7.2739  64.129  5.4255 474.448 36.482 544.297 23.537 -69.84845      43.41597 
1 1 1 10  17 18 f 351.574 25.580 27.086  3.7824 0.0000  0.0000  27.086  3.7824 ?       ?      351.574 25.580 0.000000       25.57983 
1 1 1 10  17 19 o 128.332 31.682 3.7907  1.7115 5.0900  2.7688  2.9872  2.1773 146.794 42.256 116.156 38.221 30.63784       56.97685 
1 1 1 10  18 0  o 114.403 32.890 2.8669  1.6784 -0.1876 2.5496  5.2032  2.2298 87.902  37.841 152.757 35.193 -64.85553      51.67673 
1 1 1 10  18 1  o 494.302 21.363 51.993  4.4720 53.010  6.1279  50.836  6.5410 497.205 29.231 486.276 31.940 10.92938       43.29724 
1 1 1 10  18 2  o 594.953 21.622 75.336  5.4477 77.357  7.4709  73.042  7.9608 601.590 29.324 583.110 32.365 18.47919       43.67381 
1 1 1 10  18 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  18 4  o 505.643 29.886 54.864  6.3713 54.864  6.3713  0.0000  0.0000 505.643 29.886 ?       ?      0.000000       29.88636 
1 1 1 10  18 5  o 698.324 22.150 103.845 6.5506 96.940  8.9790  111.702 9.5779 672.766 31.515 722.226 31.315 -49.45966      44.42787 
1 1 1 10  18 6  o 1151.99 35.845 285.462 17.487 0.0000  0.0000  285.462 17.487 ?       ?      1151.99 35.845 0.000000       35.84475 
1 1 1 10  18 7  o 333.086 24.213 23.804  3.3921 21.234  4.5671  26.965  5.0658 312.158 35.160 352.409 34.382 -40.25067      49.17660 
1 1 1 10  18 8  o 719.986 18.811 110.373 5.7357 115.497 9.6778  107.599 7.1212 732.988 31.177 709.734 23.693 23.25366       39.15818 
1 1 1 10  18 9  f 704.879 18.949 105.877 5.6563 116.783 9.6365  100.144 6.9865 736.434 30.899 684.191 24.112 52.24274       39.19355 
1 1 1 10  18 10 o 485.711 18.886 50.306  3.8848 51.107  6.6894  49.899  4.7720 485.128 32.752 482.850 23.337 2.277588       40.21574 
1 1 1 10  18 11 o 291.723 21.163 18.288  2.5967 21.702  4.4625  16.540  3.1929 314.516 34.047 275.883 27.703 38.63303       43.89358 
1 1 1 10  18 12 o 447.444 19.578 42.773  3.7098 45.928  6.3625  41.148  4.5663 458.830 32.963 437.026 24.775 21.80386       41.23557 
1 1 1 10  18 13 f 172.335 33.609 6.6802  2.3647 5.1730  3.4054  8.0838  3.2863 151.760 47.606 187.580 42.369 -35.81952      63.72970 
1 1 1 10  18 14 o 227.166 41.268 11.804  3.8239 0.0000  0.0000  11.804  3.8239 ?       ?      227.166 41.268 0.000000       41.26823 
1 1 1 10  18 15 o 361.975 20.519 28.240  3.1325 32.064  5.4020  26.302  3.8449 380.225 33.904 347.322 26.336 32.90363       42.93135 
1 1 1 10  18 16 o 204.173 23.923 9.1292  2.0293 9.2383  3.4181  9.0698  2.5218 199.247 41.841 201.475 30.511 -2.228409      51.78425 
1 1 1 10  18 17 o 209.360 25.189 9.6566  2.1885 7.3163  3.7043  10.911  2.7125 174.377 48.433 221.133 29.717 -46.75578      56.82315 
1 1 1 10  18 18 f 169.486 28.319 6.4629  1.9609 4.9398  3.3397  7.2643  2.4224 145.496 47.310 178.092 33.344 -32.59595      57.87969 
1 1 1 10  18 19 o 171.376 27.907 6.5981  1.9557 9.3642  3.3109  5.1156  2.4238 199.555 40.560 147.557 38.412 51.99718       55.86240 
1 1 1 10  19 0  o 144.959 30.767 4.6639  1.8303 8.7576  2.5379  0.2271  2.6422 200.030 30.960 93.030  39.225 107.0003       49.97154 
1 1 1 10  19 1  o 321.422 22.402 22.104  3.0303 24.598  4.1915  19.373  4.3861 337.922 29.588 298.381 35.401 39.54062       46.13770 
1 1 1 10  19 2  o 418.974 21.622 37.464  3.8233 38.271  5.2722  36.568  5.5526 422.029 29.688 411.981 32.078 10.04865       43.70777 
1 1 1 10  19 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  19 4  o 411.658 31.195 36.490  5.3979 36.490  5.3979  0.0000  0.0000 411.658 31.195 ?       ?      0.000000       31.19512 
1 1 1 10  19 5  o 200.894 41.190 9.0267  3.3867 0.0000  0.0000  9.0267  3.3867 ?       ?      200.894 41.190 0.000000       41.19024 
1 1 1 10  19 6  o 176.310 29.763 6.8365  2.1432 4.6634  2.8025  9.8977  3.3261 145.316 42.710 210.980 38.651 -65.66431      57.60197 
1 1 1 10  19 7  o 174.636 32.698 6.7651  2.3293 7.3846  3.2823  6.1366  3.3062 180.709 43.429 165.111 45.720 15.59830       63.05859 
1 1 1 10  19 8  o 649.173 22.685 90.013  6.2366 90.405  8.6457  89.587  9.0049 647.990 31.506 643.684 33.147 4.305664       45.73080 
1 1 1 10  19 9  o 276.518 20.963 16.417  2.4365 20.579  4.1495  14.226  3.0101 307.109 32.394 255.786 28.260 51.32230       42.98828 
1 1 1 10  19 10 o 203.499 28.890 9.0898  2.4199 8.3327  3.5479  9.7484  3.3089 190.797 44.694 208.177 38.965 -17.37981      59.29406 
1 1 1 10  19 11 o 270.303 21.595 15.732  2.4514 18.187  4.1634  14.429  3.0328 287.168 34.956 257.235 28.308 29.93332       44.98112 
1 1 1 10  19 12 o 215.514 29.568 10.221  2.6275 5.8715  3.7289  14.510  3.7029 161.025 49.702 255.748 35.116 -94.72295      60.85600 
1 1 1 10  19 13 o 231.896 29.190 11.829  2.8031 0.0000  0.0000  11.829  2.8031 ?       ?      231.896 29.190 0.000000       29.18985 
1 1 1 10  19 14 o 300.395 38.791 20.336  4.8195 0.0000  0.0000  20.336  4.8195 ?       ?      300.395 38.791 0.000000       38.79079 
1 1 1 10  19 15 o 210.718 24.028 9.7141  2.1058 14.348  3.7399  7.5627  2.5482 252.277 36.029 182.514 34.225 69.76270       49.69331 
1 1 1 10  19 16 o 236.014 22.913 12.142  2.2613 7.0470  3.8936  14.736  2.7778 171.739 50.304 259.328 25.629 -87.58899      56.45612 
1 1 1 10  19 17 o 76.512  30.291 0.7649  1.4570 2.1778  2.4779  0.0182  1.8013 108.116 40.332 74.250  31.882 33.86562       51.41151 
1 1 1 10  19 18 o 202.591 24.780 9.0706  2.0817 10.085  3.7003  8.6010  2.5179 205.613 43.835 194.718 31.619 10.89526       54.04882 
1 1 1 10  20 0  o 225.193 25.435 10.953  2.3832 8.7917  3.1257  13.954  3.6832 198.825 38.513 252.535 35.414 -53.70988      52.32011 
1 1 1 10  20 1  o 313.134 22.163 20.983  2.9201 18.359  4.0086  23.950  4.2623 290.797 33.143 333.167 30.549 -42.36960      45.07436 
1 1 1 10  20 2  o 409.105 21.827 35.735  3.7678 37.048  5.1699  34.248  5.5027 415.155 29.599 398.359 32.913 16.79620       44.26493 
1 1 1 10  20 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  20 4  o 1114.65 23.907 264.928 11.285 266.830 15.563  262.820 16.387 1115.14 32.956 1105.80 34.993 9.337891       48.06852 
1 1 1 10  20 5  o 329.785 34.547 23.633  4.7532 0.0000  0.0000  23.633  4.7532 ?       ?      329.785 34.547 0.000000       34.54684 
1 1 1 10  20 6  o 364.781 22.864 28.499  3.5142 22.881  4.6403  36.055  5.3812 324.236 34.316 408.580 31.339 -84.34424      46.47232 
1 1 1 10  20 7  o 177.729 33.049 7.0160  2.3959 9.1596  3.2313  4.3985  3.5708 202.239 39.144 145.296 48.975 56.94261       62.69621 
1 1 1 10  20 8  o 687.161 22.764 100.937 6.6243 96.134  9.0502  106.480 9.7224 667.539 32.014 702.263 32.691 -34.72418      45.75570 
1 1 1 10  20 9  o 447.180 23.241 42.919  4.3860 44.742  6.0302  40.872  6.3911 454.069 31.555 432.609 35.190 21.46030       47.26591 
1 1 1 10  20 10 o 358.358 23.823 27.652  3.5948 27.980  4.9930  27.299  5.1799 357.681 33.347 352.642 35.153 5.038361       48.45418 
1 1 1 10  20 11 o 524.846 18.912 58.827  4.2035 61.176  7.0637  57.539  5.2304 530.341 31.594 517.773 23.853 12.56781       39.58744 
1 1 1 10  20 12 o 130.009 36.414 3.8122  2.0847 3.9754  3.0014  3.6602  2.8977 135.694 44.886 131.251 44.120 4.443298       62.93860 
1 1 1 10  20 13 o 270.923 38.684 16.530  4.3124 0.0000  0.0000  16.530  4.3124 ?       ?      270.923 38.684 0.000000       38.68443 
1 1 1 10  20 14 o 586.845 19.282 73.880  4.7921 67.087  8.0980  77.541  5.9448 550.173 34.937 599.366 23.421 -49.19220      42.06139 
1 1 1 10  20 15 o 123.669 32.980 3.4884  1.7589 4.0562  2.9352  3.1703  2.1971 134.934 44.376 119.715 38.320 15.21957       58.63137 
1 1 1 10  20 16 o 285.901 21.400 17.730  2.5723 17.438  4.4469  17.877  3.1533 276.123 39.123 285.348 26.394 -9.224976      47.19350 
1 1 1 10  20 17 o 301.278 21.350 19.728  2.7064 10.066  4.6443  24.696  3.3303 201.010 53.583 336.354 23.528 -135.3443      58.52093 
1 1 1 10  20 18 o 448.688 19.875 43.470  3.7766 42.935  6.4560  43.749  4.6564 435.780 35.285 447.167 24.684 -11.38654      43.06236 
1 1 1 10  21 0  o 465.413 20.890 46.105  4.1174 45.368  5.5745  46.988  6.1076 459.744 28.777 467.404 31.032 -7.659882      42.32119 
1 1 1 10  21 1  o 169.753 30.583 6.3531  2.1177 5.6794  2.7742  7.2940  3.2784 159.202 40.923 180.061 43.484 -20.85915      59.71205 
1 1 1 10  21 2  o 391.931 30.356 33.080  4.9991 33.080  4.9991  0.0000  0.0000 391.931 30.356 ?       ?      0.000000       30.35559 
1 1 1 10  21 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  21 4  o 771.725 32.367 127.851 10.578 0.0000  0.0000  127.851 10.578 ?       ?      771.725 32.367 0.000000       32.36676 
1 1 1 10  21 5  o 310.899 24.530 20.769  3.2035 25.763  4.3158  14.642  4.7806 345.374 29.799 255.566 45.856 89.80745       54.68771 
1 1 1 10  21 6  o 452.695 22.628 43.749  4.3381 48.873  5.9481  37.927  6.3406 476.207 29.642 417.388 36.231 58.81851       46.81133 
1 1 1 10  21 7  o 554.136 22.187 65.592  5.2066 60.113  7.1374  71.823  7.6120 527.052 32.131 576.578 31.291 -49.52631      44.85043 
1 1 1 10  21 8  o 469.144 22.889 47.088  4.5476 45.048  6.1681  49.518  6.7312 455.526 32.181 477.209 33.520 -21.68228      46.46729 
1 1 1 10  21 9  o 148.094 35.608 4.9565  2.2057 4.6263  2.9841  5.3543  3.2748 144.340 44.447 154.298 46.371 -9.957443      64.23238 
1 1 1 10  21 10 o 255.226 26.253 14.157  2.7971 18.284  3.9689  10.083  3.9427 288.426 33.092 209.426 45.736 78.99991       56.45248 
1 1 1 10  21 11 o 151.763 44.274 5.2349  3.0215 5.2349  3.0215  0.0000  0.0000 151.763 44.274 ?       ?      0.000000       44.27397 
1 1 1 10  21 12 o 425.100 19.121 38.661  3.4422 44.196  5.8116  35.670  4.2723 449.937 30.683 406.137 24.960 43.79944       39.55342 
1 1 1 10  21 13 o 337.695 36.080 25.437  5.0800 0.0000  0.0000  25.437  5.0800 ?       ?      337.695 36.080 0.000000       36.08048 
1 1 1 10  21 14 o 515.470 19.173 57.030  4.1853 63.477  7.1145  53.618  5.1757 536.955 31.424 497.672 24.557 39.28345       39.88114 
1 1 1 10  21 15 o 205.321 24.266 9.2498  2.0692 14.046  3.7152  7.0929  2.4913 249.010 36.298 176.214 34.619 72.79654       50.16031 
1 1 1 10  21 16 o 260.025 21.818 14.716  2.3804 14.836  4.1083  14.655  2.9205 253.637 39.536 257.588 27.183 -3.950287      47.97964 
1 1 1 10  21 17 o 381.448 20.170 31.515  3.2467 32.720  5.5701  30.896  3.9957 380.372 34.971 375.284 25.289 5.088104       43.15618 
1 1 1 10  21 18 o 222.587 23.651 10.899  2.1953 12.086  3.6112  10.204  2.7648 227.856 38.814 212.176 31.746 15.67990       50.14332 
1 1 1 10  22 0  o 636.553 20.737 86.256  5.5901 87.480  7.6159  84.825  8.2311 639.639 28.115 629.225 30.889 10.41394       41.76861 
1 1 1 10  22 1  o 269.702 24.175 15.636  2.7318 18.970  3.7259  11.761  4.0173 296.161 30.126 229.554 42.902 66.60706       52.42311 
1 1 1 10  22 2  o 530.282 28.978 60.358  6.4829 60.358  6.4829  0.0000  0.0000 530.282 28.978 ?       ?      0.000000       28.97791 
1 1 1 10  22 3  o 198.047 39.085 8.7562  3.1617 0.0000  0.0000  8.7562  3.1617 ?       ?      198.047 39.085 0.000000       39.08466 
1 1 1 10  22 4  o 481.944 33.004 50.178  6.6956 0.0000  0.0000  50.178  6.6956 ?       ?      481.944 33.004 0.000000       33.00443 
1 1 1 10  22 5  o 273.865 25.569 16.181  2.9312 19.139  3.9868  12.701  4.3244 296.540 32.268 237.639 44.608 58.90088       55.05519 
1 1 1 10  22 6  o 442.616 22.122 41.840  4.1467 36.199  5.5425  49.013  6.2495 408.526 32.300 476.092 31.168 -67.56564      44.88587 
1 1 1 10  22 7  o 604.835 22.119 78.200  5.6657 79.114  7.7634  77.159  8.2873 605.871 30.257 596.527 32.933 9.344543       44.72182 
1 1 1 10  22 8  f 502.554 22.164 54.040  4.7171 47.399  6.4070  61.902  6.9705 466.783 32.616 534.405 30.932 -67.62149      44.95156 
1 1 1 10  22 9  o 377.123 23.427 30.611  3.7230 31.604  5.1919  29.560  5.3416 380.400 32.542 367.013 34.783 13.38702       47.63210 
1 1 1 10  22 10 o 166.266 34.614 6.2362  2.3580 9.8316  3.2579  2.2808  3.4171 208.765 38.260 120.970 46.828 87.79478       60.47102 
1 1 1 10  22 11 o 210.512 42.249 10.143  3.6356 10.143  3.6356  0.0000  0.0000 210.512 42.249 ?       ?      0.000000       42.24892 
1 1 1 10  22 12 o 280.810 37.835 17.704  4.3848 0.0000  0.0000  17.704  4.3848 ?       ?      280.810 37.835 0.000000       37.83480 
1 1 1 10  22 13 f 229.171 27.918 11.584  2.6535 13.888  3.7675  9.3162  3.7379 247.770 37.043 199.026 45.358 48.74434       58.56213 
1 1 1 10  22 14 o 307.138 20.466 20.382  2.6467 17.192  4.4573  22.120  3.2894 274.542 39.472 318.643 24.566 -44.10056      46.49249 
1 1 1 10  22 15 o 194.251 24.495 8.3073  1.9702 8.5368  3.4607  8.1973  2.3965 189.963 43.899 190.946 30.675 -0.9834900     53.55445 
1 1 1 10  22 16 o 156.689 28.117 5.5396  1.7972 5.1225  3.1421  5.7424  2.1909 147.331 45.649 157.745 33.813 -10.41422      56.80819 
1 1 1 10  22 17 f 150.906 30.740 5.2177  1.8978 3.1672  3.1951  6.3355  2.3590 124.431 45.921 165.179 34.821 -40.74789      57.62991 
1 1 1 10  22 18 o 374.871 20.294 30.472  3.2097 21.378  5.4014  35.436  3.9907 301.109 43.629 402.753 23.499 -101.6434      49.55523 
1 1 1 10  23 0  o 749.076 20.991 119.495 6.6589 114.136 9.0940  125.689 9.7773 730.085 29.413 765.931 30.143 -35.84637      42.11544 
1 1 1 10  23 1  o 253.196 34.660 14.034  3.6189 14.034  3.6189  0.0000  0.0000 253.196 34.660 ?       ?      0.000000       34.66039 
1 1 1 10  23 2  o 635.122 28.889 86.400  7.7703 86.400  7.7703  0.0000  0.0000 635.122 28.889 ?       ?      0.000000       28.88918 
1 1 1 10  23 3  o 656.170 31.881 92.534  8.8591 0.0000  0.0000  92.534  8.8591 ?       ?      656.170 31.881 0.000000       31.88068 
1 1 1 10  23 4  f 273.583 25.076 16.138  2.8730 12.639  3.8327  20.627  4.3408 238.470 39.322 307.536 33.892 -69.06609      51.91203 
1 1 1 10  23 5  o 576.665 21.755 71.001  5.3128 72.915  7.2411  68.769  7.8189 581.665 29.492 563.637 32.900 18.02802       44.18368 
1 1 1 10  23 6  o 972.434 23.223 202.326 9.5637 201.600 13.119  203.150 13.971 966.167 32.063 968.659 34.059 -2.491455      46.77626 
1 1 1 10  23 7  o 226.136 27.010 11.144  2.5355 8.0502  3.4333  14.854  3.7603 187.620 43.977 259.321 35.146 -71.70143      56.29590 
1 1 1 10  23 8  o 433.076 22.215 40.266  4.0607 47.699  5.5716  31.846  5.9305 469.562 28.148 380.116 37.322 89.44638       46.74684 
1 1 1 10  23 9  f 646.983 22.337 89.724  6.1202 85.083  8.3890  95.005  8.9485 625.404 31.779 661.565 31.940 -36.16016      45.05619 
1 1 1 10  23 10 o 130.547 43.204 3.6592  2.7806 3.6592  2.7806  0.0000  0.0000 130.547 43.204 ?       ?      0.000000       43.20383 
1 1 1 10  23 11 o 440.555 32.668 42.590  6.0515 42.590  6.0515  0.0000  0.0000 440.555 32.668 ?       ?      0.000000       32.66835 
1 1 1 10  23 12 o 312.897 36.055 21.890  4.6902 0.0000  0.0000  21.890  4.6902 ?       ?      312.897 36.055 0.000000       36.05462 
1 1 1 10  23 13 f 235.106 26.737 12.165  2.6147 8.2978  3.6745  16.131  3.7215 186.885 46.591 268.528 33.451 -81.64293      57.35553 
1 1 1 10  23 14 o 538.795 23.127 62.793  5.2771 58.887  7.2080  67.304  7.7470 515.114 33.219 550.703 33.375 -35.58942      47.08973 
1 1 1 10  23 15 o 303.975 20.883 20.035  2.6720 21.523  4.4748  19.211  3.3311 308.923 34.811 295.349 26.928 13.57471       44.01045 
1 1 1 10  23 16 o 131.307 31.705 3.9799  1.7431 4.0294  3.0410  3.9556  2.1272 133.371 45.196 130.286 36.885 3.084991       58.33677 
1 1 1 10  23 17 o 212.570 24.659 9.9940  2.1786 6.5662  3.8421  11.618  2.6449 163.568 50.445 228.077 27.970 -64.50867      57.68036 
1 1 1 10  24 0  o 765.332 29.141 125.493 9.4448 125.493 9.4448  0.0000  0.0000 765.332 29.141 ?       ?      0.000000       29.14081 
1 1 1 10  24 1  o 757.766 21.246 122.378 6.8180 108.661 9.2934  138.366 10.033 711.489 30.844 803.337 29.491 -91.84827      42.67390 
1 1 1 10  24 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  24 3  o 438.051 20.974 40.925  3.8908 39.741  5.3282  42.277  5.6950 429.203 29.493 442.443 30.582 -13.23950      42.48643 
1 1 1 10  24 4  o 221.917 28.322 10.740  2.6010 7.9925  3.6939  13.442  3.6630 187.101 46.752 246.683 36.135 -59.58224      59.08834 
1 1 1 10  24 5  o 417.542 22.751 37.395  4.0077 35.709  5.5408  39.245  5.8040 405.274 32.558 425.002 32.494 -19.72748      45.99848 
1 1 1 10  24 6  o 437.793 22.288 41.112  4.1186 37.561  5.5491  45.468  6.1455 415.627 31.767 457.448 31.923 -41.82077      45.03579 
1 1 1 10  24 7  o 457.705 22.348 44.867  4.3319 46.095  5.8413  43.367  6.4572 460.893 30.092 445.288 34.512 15.60526       45.78875 
1 1 1 10  24 8  o 334.410 23.738 24.123  3.3399 18.205  4.4585  31.689  5.0416 286.056 37.725 381.018 31.528 -94.96289      49.16491 
1 1 1 10  24 9  o 373.093 22.914 29.986  3.6029 29.345  4.9003  30.742  5.3155 366.148 31.922 374.048 33.925 -7.899841      46.58241 
1 1 1 10  24 10 o 144.223 42.536 4.7249  2.7754 4.7249  2.7754  0.0000  0.0000 144.223 42.536 ?       ?      0.000000       42.53580 
1 1 1 10  24 11 o 420.007 34.347 38.999  6.0558 0.0000  0.0000  38.999  6.0558 ?       ?      420.007 34.347 0.000000       34.34693 
1 1 1 10  24 12 o 115.426 36.461 2.9470  1.9941 1.1943  2.8973  4.5247  2.7488 103.407 42.096 140.440 42.546 -37.03339      59.85162 
1 1 1 10  24 13 o 225.070 27.803 11.208  2.5937 7.6741  3.5889  15.071  3.7526 179.386 46.763 258.447 35.202 -79.06085      58.53159 
1 1 1 10  24 14 o 154.809 34.226 5.5150  2.1843 5.0506  3.1998  5.9202  2.9890 147.273 46.138 158.283 43.327 -11.00932      63.29216 
1 1 1 10  24 15 o 124.046 36.570 3.5457  2.0519 4.8697  2.9402  2.2889  2.8648 143.821 44.092 112.794 43.078 31.02625       61.64269 
1 1 1 10  24 16 f 315.170 20.444 21.584  2.7139 18.362  4.4808  23.451  3.4107 281.563 38.594 326.622 24.844 -45.05841      45.89895 
1 1 1 10  24 17 o 267.469 21.558 15.622  2.4212 17.850  4.1436  14.466  2.9835 278.970 35.907 254.633 28.137 24.33661       45.61817 
1 1 1 10  25 0  o 566.812 28.301 68.862  6.7935 68.862  6.7935  0.0000  0.0000 566.812 28.301 ?       ?      0.000000       28.30145 
1 1 1 10  25 1  o 480.859 31.030 49.915  6.2853 0.0000  0.0000  49.915  6.2853 ?       ?      480.859 31.030 0.000000       31.03033 
1 1 1 10  25 2  o 230.514 35.405 11.740  3.3457 11.740  3.3457  0.0000  0.0000 230.514 35.405 ?       ?      0.000000       35.40494 
1 1 1 10  25 3  o 397.638 21.911 33.875  3.6754 33.702  5.0084  34.077  5.4105 394.566 30.203 396.073 32.544 -1.507080      44.39971 
1 1 1 10  25 4  o 378.248 22.747 30.712  3.6268 29.494  5.0347  32.027  5.2288 367.993 32.646 383.632 32.489 -15.63904      46.05756 
1 1 1 10  25 5  f 358.042 23.480 27.578  3.5406 26.525  4.8561  28.774  5.1731 348.337 33.326 362.668 34.082 -14.33148      47.66734 
1 1 1 10  25 6  o 227.590 28.821 11.345  2.7155 15.054  3.8093  7.5120  3.8722 260.715 35.419 180.330 49.294 80.38522       60.69893 
1 1 1 10  25 7  o 151.529 41.343 5.2339  2.7268 5.2339  2.7268  0.0000  0.0000 151.529 41.343 ?       ?      0.000000       41.34296 
1 1 1 10  25 8  o 330.200 23.529 23.535  3.2687 23.559  4.4385  23.507  4.8318 327.606 32.417 326.085 35.566 1.520813       48.12296 
1 1 1 10  25 9  o 345.928 32.756 26.308  4.7415 26.308  4.7415  0.0000  0.0000 345.928 32.756 ?       ?      0.000000       32.75592 
1 1 1 10  25 10 o 492.964 22.174 52.240  4.6292 57.197  6.3306  46.543  6.7866 512.197 29.307 458.932 35.187 53.26523       45.79311 
1 1 1 10  25 11 o 385.200 35.519 33.068  5.7290 0.0000  0.0000  33.068  5.7290 ?       ?      385.200 35.519 0.000000       35.51938 
1 1 1 10  25 12 o 210.800 28.385 9.8669  2.4696 12.092  3.4919  7.6401  3.4931 230.327 37.056 179.263 45.834 51.06384       58.94022 
1 1 1 10  25 13 o 649.202 22.932 91.209  6.3048 81.493  8.6109  102.436 9.2569 605.316 33.725 680.999 32.098 -75.68292      46.55778 
1 1 1 10  25 14 o 87.378  34.493 1.0649  1.8842 3.1567  2.9537  -0.3704 2.4466 123.346 44.354 82.525  36.271 40.82041       57.29608 
1 1 1 10  25 15 o 78.640  32.450 0.5390  1.7510 -1.2964 2.6785  1.9088  2.3140 79.491  36.190 102.677 38.834 -23.18624      53.08333 
1 1 1 10  25 16 o 304.267 25.379 20.424  3.2404 19.301  4.4980  21.636  4.6721 288.979 37.649 306.772 36.691 -17.79300      52.57015 
1 1 1 10  26 0  o 504.726 29.868 54.949  6.3558 0.0000  0.0000  54.949  6.3558 ?       ?      504.726 29.868 0.000000       29.86819 
1 1 1 10  26 1  o 413.007 31.336 36.957  5.4399 0.0000  0.0000  36.957  5.4399 ?       ?      413.007 31.336 0.000000       31.33564 
1 1 1 10  26 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  26 3  o 479.194 21.551 49.085  4.3734 44.046  6.0670  54.535  6.3099 450.319 32.022 502.108 29.808 -51.78870      43.74829 
1 1 1 10  26 4  o 258.045 25.821 14.441  2.7839 14.462  3.9408  14.420  3.9332 254.945 37.631 254.572 37.616 0.3733673      53.20802 
1 1 1 10  26 5  o 337.673 23.629 24.574  3.3577 23.205  4.6416  26.078  4.8630 324.954 34.245 344.854 33.731 -19.89938      48.06709 
1 1 1 10  26 6  o 226.653 27.472 11.235  2.5830 13.876  3.5927  8.4095  3.7162 250.028 34.880 190.592 46.463 59.43660       58.09856 
1 1 1 10  26 7  o 359.983 23.903 27.972  3.6233 27.219  5.0630  28.762  5.1874 351.522 34.453 361.489 34.296 -9.967865      48.61313 
1 1 1 10  26 8  o 322.005 23.810 22.419  3.2238 19.991  4.2660  25.652  4.9225 300.672 34.106 340.828 34.583 -40.15649      48.57169 
1 1 1 10  26 9  o 335.772 32.503 24.845  4.5640 24.845  4.5640  0.0000  0.0000 335.772 32.503 ?       ?      0.000000       32.50317 
1 1 1 10  26 10 o 389.295 33.926 33.581  5.5373 0.0000  0.0000  33.581  5.5373 ?       ?      389.295 33.926 0.000000       33.92617 
1 1 1 10  26 11 o 407.337 23.198 35.982  3.9851 34.884  5.4285  37.264  5.8689 396.545 32.615 409.021 34.195 -12.47537      47.25513 
1 1 1 10  26 12 o 337.091 23.999 24.756  3.4036 22.704  4.6224  27.187  5.0302 317.808 34.921 348.254 34.564 -30.44543      49.13361 
1 1 1 10  26 13 o 295.366 25.084 19.112  3.1080 20.027  4.2088  18.015  4.6091 298.411 33.906 279.688 40.058 18.72247       52.48078 
1 1 1 10  26 14 o 300.333 24.708 19.801  3.1147 20.263  4.3020  19.292  4.5153 298.897 34.628 289.857 37.675 9.039978       51.17125 
1 1 1 10  26 15 o 215.569 29.094 10.456  2.5881 12.005  3.5952  8.7899  3.7288 226.389 38.902 189.214 46.795 37.17455       60.85315 
1 1 1 10  26 16 o 167.267 32.905 6.4706  2.2478 9.3141  3.2747  3.9371  3.0911 197.875 40.444 131.706 45.540 66.16930       60.90673 
1 1 1 10  27 0  o 499.626 29.844 53.950  6.2857 0.0000  0.0000  53.950  6.2857 ?       ?      499.626 29.844 0.000000       29.84396 
1 1 1 10  27 1  o 178.118 28.046 6.9821  2.0456 5.1701  2.7885  9.0936  3.0101 151.245 42.026 201.623 36.601 -50.37776      55.73005 
1 1 1 10  27 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  27 3  o 166.511 32.421 6.2043  2.2040 2.8707  3.2785  8.9530  2.9770 125.732 46.493 199.748 36.539 -74.01582      59.13320 
1 1 1 10  27 4  o 294.106 24.642 18.708  3.0409 20.610  4.3089  16.820  4.2922 306.093 33.804 274.824 37.886 31.26913       50.77518 
1 1 1 10  27 5  o 170.434 32.795 6.5172  2.2811 1.4073  3.2640  11.396  3.1893 111.113 44.879 226.272 34.363 -115.1589      56.52367 
1 1 1 10  27 6  o 80.073  33.001 0.4799  1.8083 -0.0000 2.6944  0.8732  2.4393 90.811  38.994 94.758  38.606 -3.947517      54.87163 
1 1 1 10  27 7  o 402.276 23.169 34.897  3.9305 42.125  5.5026  27.366  5.6161 439.632 29.730 350.396 38.481 89.23544       48.62775 
1 1 1 10  27 8  o 468.474 31.916 48.104  6.2942 48.104  6.2942  0.0000  0.0000 468.474 31.916 ?       ?      0.000000       31.91587 
1 1 1 10  27 9  o 171.131 31.869 6.5984  2.2246 5.0272  2.9604  8.6366  3.3718 147.855 44.011 192.859 42.436 -45.00395      61.13689 
1 1 1 10  27 10 o 81.885  35.841 -0.3308 2.3672 0.0000  0.0000  -0.3308 2.3672 ?       ?      81.885  35.841 0.000000       35.84071 
1 1 1 10  27 11 o 198.457 29.593 8.8134  2.4111 13.384  3.3246  3.7426  3.5019 243.956 33.029 133.753 48.270 110.2024       58.48901 
1 1 1 10  27 12 o 123.299 36.250 3.4801  2.0186 4.7050  2.7731  2.0996  2.9440 142.045 42.667 112.063 43.442 29.98193       60.89095 
1 1 1 10  27 13 o 194.561 29.725 8.5182  2.3715 6.6675  3.3244  10.436  3.3840 166.401 45.753 211.634 39.200 -45.23303      60.24927 
1 1 1 10  27 14 o 344.564 32.942 26.812  4.7484 26.812  4.7484  0.0000  0.0000 344.564 32.942 ?       ?      0.000000       32.94233 
1 1 1 10  27 15 o 198.211 29.365 8.8897  2.3903 5.4433  3.3129  12.632  3.4523 149.836 46.947 233.531 36.070 -83.69447      59.20336 
1 1 1 10  27 16 o 118.532 43.003 2.9555  2.7846 2.9555  2.7846  0.0000  0.0000 118.532 43.003 ?       ?      0.000000       43.00253 
1 1 1 10  28 0  o 72.776  30.503 0.2141  1.5823 1.1963  2.1674  -0.9068 2.3154 94.523  37.096 77.228  34.535 17.29514       50.68296 
1 1 1 10  28 1  o 578.919 20.433 71.641  5.0095 72.213  6.8893  71.000  7.2972 578.795 28.107 572.381 30.211 6.413574       41.26394 
1 1 1 10  28 2  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 10  28 3  o 404.771 21.943 35.210  3.7473 30.549  5.2234  40.153  5.3788 373.284 33.395 429.766 29.737 -56.48135      44.71590 
1 1 1 10  28 4  o 400.822 21.822 34.544  3.6901 34.404  5.1781  34.690  5.2602 396.942 31.051 398.449 31.429 -1.507660      44.18042 
1 1 1 10  28 5  o 90.457  34.323 1.3151  1.8113 1.6447  2.9348  1.1124  2.3020 109.083 43.053 95.171  37.949 13.91149       57.39038 
1 1 1 10  28 6  o 632.951 21.769 85.994  5.8353 85.350  8.0834  86.695  8.4323 626.527 30.466 630.044 31.705 -3.516785      43.96977 
1 1 1 10  28 7  o 268.607 37.620 16.202  4.1620 16.202  4.1620  0.0000  0.0000 268.607 37.620 ?       ?      0.000000       37.61996 
1 1 1 10  28 8  o 426.383 31.736 39.986  5.6896 39.986  5.6896  0.0000  0.0000 426.383 31.736 ?       ?      0.000000       31.73645 
1 1 1 10  28 9  o 361.675 35.412 29.238  5.3543 0.0000  0.0000  29.238  5.3543 ?       ?      361.675 35.412 0.000000       35.41173 
1 1 1 10  28 10 o 416.647 22.914 37.675  4.0276 37.376  5.4243  38.042  6.0130 410.639 31.430 412.276 34.764 -1.636505      46.86559 
1 1 1 10  28 11 o 62.121  28.134 -0.8015 1.5924 -2.8332 2.1418  1.7093  2.3810 60.751  29.106 101.666 39.164 -40.91604      48.79486 
1 1 1 10  28 12 o 141.841 33.282 4.6465  1.9648 4.0981  2.6924  5.2713  2.8736 133.495 42.387 149.247 43.073 -15.75266      60.43139 
1 1 1 10  28 13 o 135.503 34.087 4.2773  1.9543 3.9264  2.6491  4.6964  2.8948 130.477 42.110 141.008 43.836 -10.53194      60.78555 
1 1 1 10  28 14 o 180.609 30.948 7.4593  2.2819 9.0215  3.2504  5.9411  3.2043 194.319 40.798 155.982 45.619 38.33722       61.20120 
1 1 1 10  28 15 o 160.865 32.376 5.9967  2.1293 7.9970  2.8459  3.4530  3.2093 183.908 37.804 126.524 46.125 57.38408       59.63789 
1 1 1 10  29 0  o 463.604 20.534 45.979  4.0314 45.487  5.6240  46.498  5.7819 457.890 29.155 462.776 29.658 -4.885895      41.58847 
1 1 1 10  29 1  o 383.424 22.261 31.622  3.5992 34.738  5.1062  28.546  5.0739 399.305 30.425 360.616 33.612 38.68866       45.33682 
1 1 1 10  29 2  o 218.711 36.811 10.744  3.2885 0.0000  0.0000  10.744  3.2885 ?       ?      218.711 36.811 0.000000       36.81135 
1 1 1 10  29 3  o 205.784 27.128 9.2955  2.3065 9.2012  3.3361  9.3819  3.1924 200.700 40.644 203.395 38.472 -2.694580      55.96456 
1 1 1 10  29 4  f 281.959 24.567 17.247  2.9042 13.204  4.1648  21.074  4.0519 240.549 42.434 309.715 31.323 -69.16585      52.74289 
1 1 1 10  29 5  o 419.204 22.588 37.880  3.9952 40.680  5.6300  35.039  5.6702 431.152 31.042 398.733 33.901 32.41937       45.96629 
1 1 1 10  29 6  o 261.954 25.163 14.945  2.7572 19.234  3.7906  10.126  4.0177 295.612 30.728 208.037 46.743 87.57549       55.93885 
1 1 1 10  29 7  o 255.006 35.837 14.605  3.7633 14.605  3.7633  0.0000  0.0000 255.006 35.837 ?       ?      0.000000       35.83683 
1 1 1 10  29 8  o 182.067 44.757 7.8205  3.4266 0.0000  0.0000  7.8205  3.4266 ?       ?      182.067 44.757 0.000000       44.75719 
1 1 1 10  29 9  o 140.641 45.665 4.5172  3.1119 0.0000  0.0000  4.5172  3.1119 ?       ?      140.641 45.665 0.000000       45.66510 
1 1 1 10  29 10 o 137.455 38.388 4.3995  2.3204 2.7259  3.3285  5.9821  3.2366 121.792 46.453 158.421 45.710 -36.62873      65.17162 
1 1 1 10  29 11 o 169.177 34.307 6.5938  2.3738 9.2719  3.3164  3.7800  3.3993 198.619 40.794 132.843 47.602 65.77634       62.69043 
1 1 1 10  29 12 f 86.887  33.396 1.2254  1.7286 -0.2912 2.4129  2.8244  2.4775 82.284  36.096 115.480 40.717 -33.19605      54.41298 
1 1 1 10  29 13 o 212.572 28.740 10.173  2.5209 8.1147  3.2997  13.060  3.9070 182.984 43.262 234.936 40.746 -51.95183      59.42973 
1 1 1 10  29 14 o 276.633 24.728 16.923  2.8663 17.039  3.8186  16.775  4.3381 272.731 33.785 266.989 39.565 5.741882       52.02699 
1 1 1 10  29 15 o 91.737  37.599 0.9568  2.3313 0.9568  2.3313  0.0000  0.0000 91.737  37.599 ?       ?      0.000000       37.59944 
1 1 1 10  30 0  o 287.923 23.523 17.930  2.8432 22.825  4.0660  13.246  3.9771 323.094 30.061 242.057 40.209 81.03670       50.20385 
1 1 1 10  30 1  o 534.830 20.653 61.290  4.6778 61.428  6.5922  61.151  6.6388 531.473 29.403 530.135 29.690 1.338135       41.78582 
1 1 1 10  30 2  o 163.198 41.296 6.1372  2.8565 0.0000  0.0000  6.1372  2.8565 ?       ?      163.198 41.296 0.000000       41.29637 
1 1 1 10  30 3  o 104.411 36.715 2.1587  2.0132 6.5393  2.9258  -1.7805 2.7745 168.298 41.348 79.327  36.386 88.97157       55.07811 
1 1 1 10  30 4  o 145.552 35.730 4.8396  2.1861 13.290  3.2863  -1.8681 2.9278 244.642 32.526 81.401  37.352 163.2414       49.52921 
1 1 1 10  30 5  o 769.944 21.830 127.452 7.1178 132.393 9.8500  122.053 10.297 779.628 29.833 746.570 32.569 33.05841       44.16764 
1 1 1 10  30 6  o 104.082 40.138 1.7252  2.5031 1.7252  2.5031  0.0000  0.0000 104.082 40.138 ?       ?      0.000000       40.13808 
1 1 1 10  30 7  o 340.561 33.992 25.851  4.8370 0.0000  0.0000  25.851  4.8370 ?       ?      340.561 33.992 0.000000       33.99198 
1 1 1 10  30 8  o 154.763 44.438 5.6523  3.0657 0.0000  0.0000  5.6523  3.0657 ?       ?      154.763 44.438 0.000000       44.43847 
1 1 1 10  30 9  o 219.157 28.503 10.703  2.5828 13.059  3.5639  8.0979  3.7482 238.985 36.361 182.827 47.853 56.15796       60.09966 
1 1 1 10  30 10 o 265.317 25.440 15.491  2.8234 15.306  3.9254  15.689  4.0640 258.535 36.899 261.313 37.824 -2.778351      52.84114 
1 1 1 10  30 11 o 417.321 23.528 38.019  4.1413 37.920  5.7024  38.129  6.0241 410.875 33.052 410.616 34.976 0.2583008      48.12207 
1 1 1 10  30 12 o 237.309 27.957 12.598  2.7557 12.431  3.8549  12.774  3.9409 228.892 41.288 231.879 41.664 -2.987289      58.65619 
1 1 1 10  30 13 o 152.625 32.644 5.4266  2.0461 4.4650  2.7821  6.5595  3.0196 136.778 43.049 163.918 42.974 -27.13969      60.82766 
1 1 1 10  30 14 o 344.788 24.134 26.208  3.5018 25.586  4.7448  26.951  5.1895 334.316 33.986 341.308 36.468 -6.992371      49.84921 
1 1 1 10  31 0  o 167.685 33.844 6.3600  2.3205 7.8799  3.0875  4.3868  3.5179 185.140 40.506 142.657 48.609 42.48351       63.27324 
1 1 1 10  31 1  o 128.730 35.209 3.7602  1.9748 6.1452  2.9937  1.9230  2.6275 162.890 42.830 108.078 41.261 54.81132       59.47168 
1 1 1 10  31 2  o 191.411 39.635 8.4049  3.1071 0.0000  0.0000  8.4049  3.1071 ?       ?      191.411 39.635 0.000000       39.63524 
1 1 1 10  31 3  o 271.536 24.523 16.036  2.7895 16.458  3.8715  15.581  4.0227 271.752 34.412 263.253 37.113 8.498932       50.61156 
1 1 1 10  31 4  o 186.373 30.491 7.7613  2.3234 7.2626  3.3770  8.2095  3.2015 176.017 45.100 188.306 41.284 -12.28865      61.14215 
1 1 1 10  31 5  o 519.490 30.776 59.258  6.7405 59.258  6.7405  0.0000  0.0000 519.490 30.776 ?       ?      0.000000       30.77572 
1 1 1 10  31 6  o 376.340 22.378 30.673  3.5504 28.605  5.0405  32.710  5.0019 358.419 33.600 384.849 30.952 -26.43033      45.68333 
1 1 1 10  31 7  o 132.235 43.959 3.9124  2.8774 0.0000  0.0000  3.9124  2.8774 ?       ?      132.235 43.959 0.000000       43.95874 
1 1 1 10  31 8  o 202.881 29.957 9.2478  2.4964 10.686  3.5777  7.8830  3.4851 213.509 41.059 181.058 45.505 32.45067       61.29102 
1 1 1 10  31 9  o 295.947 25.692 19.268  3.1880 18.037  4.5207  20.487  4.4965 279.481 39.280 299.956 36.124 -20.47528      53.36516 
1 1 1 10  31 10 o 266.469 24.745 15.622  2.7605 12.657  3.8468  18.771  3.9637 232.373 40.566 288.268 33.066 -55.89510      52.33510 
1 1 1 10  31 11 o 113.331 36.236 2.9065  1.9651 3.9456  2.9430  2.0704  2.6398 131.318 44.461 107.535 41.285 23.78259       60.67333 
1 1 1 10  31 12 o 197.005 29.587 8.8185  2.3921 5.7840  3.1229  13.127  3.7212 153.583 45.069 236.171 38.535 -82.58772      59.29774 
1 1 1 10  31 13 f 123.905 37.206 3.6151  2.1089 3.5661  3.0191  3.6619  2.9470 126.133 44.897 126.901 44.433 -0.7680893     63.16634 
1 1 1 10  31 14 o 230.959 41.892 12.834  3.9465 12.834  3.9465  0.0000  0.0000 230.959 41.892 ?       ?      0.000000       41.89220 
1 1 1 10  32 0  o 324.205 22.811 22.739  3.1120 23.428  4.2240  21.922  4.6023 326.250 30.943 313.742 35.249 12.50778       46.90345 
1 1 1 10  32 1  o 484.797 20.757 50.478  4.2615 51.537  5.9463  49.359  6.1105 485.804 29.036 474.615 30.564 11.18921       42.15693 
1 1 1 10  32 2  o 86.811  32.990 1.2170  1.6749 -0.4403 2.4193  2.7425  2.3211 82.150  36.088 114.801 39.475 -32.65090      53.48480 
1 1 1 10  32 3  o 370.150 21.627 29.585  3.3755 30.150  4.7816  29.024  4.7657 370.057 30.791 362.799 31.325 7.257996       43.92446 
1 1 1 10  32 4  o 215.134 36.830 10.539  3.2348 10.539  3.2348  0.0000  0.0000 215.134 36.830 ?       ?      0.000000       36.83012 
1 1 1 10  32 5  o 336.960 32.651 25.275  4.6009 25.275  4.6009  0.0000  0.0000 336.960 32.651 ?       ?      0.000000       32.65129 
1 1 1 10  32 6  o 342.628 34.107 26.350  4.8831 0.0000  0.0000  26.350  4.8831 ?       ?      342.628 34.107 0.000000       34.10651 
1 1 1 10  32 7  f 153.799 34.290 5.4750  2.1765 6.1765  3.1301  4.8183  3.0284 160.616 44.489 143.368 44.880 17.24762       63.19450 
1 1 1 10  32 8  o 319.436 24.484 22.370  3.2870 21.619  4.6378  23.128  4.6592 307.898 36.264 319.309 35.030 -11.41122      50.42011 
1 1 1 10  32 9  o 201.940 30.089 9.2051  2.4946 9.9637  3.5790  8.4883  3.4789 204.419 42.719 187.547 44.476 16.87158       61.66885 
1 1 1 10  32 10 o 172.977 31.868 6.8711  2.2484 5.8376  3.3268  7.7401  3.0506 154.892 46.780 179.875 40.963 -24.98311      62.18003 
1 1 1 10  32 11 o 119.950 42.946 3.1223  2.7663 3.1223  2.7663  0.0000  0.0000 119.950 42.946 ?       ?      0.000000       42.94605 
1 1 1 10  32 12 o 65.623  30.086 -1.1106 1.8939 -2.0326 2.8236  -0.3565 2.5536 76.753  35.729 83.241  36.799 -6.488251      51.29103 
1 1 1 10  32 13 o 259.882 27.693 15.174  3.0009 12.794  4.1944  17.670  4.2952 228.113 45.017 274.108 38.025 -45.99496      58.92749 
1 1 1 10  33 0  o 187.705 31.254 7.9018  2.3971 9.4076  3.2561  6.1201  3.5418 202.281 39.427 161.682 48.141 40.59882       62.22598 
1 1 1 10  33 1  o 454.237 29.206 45.206  5.5885 45.206  5.5885  0.0000  0.0000 454.237 29.206 ?       ?      0.000000       29.20626 
1 1 1 10  33 2  o 677.147 20.806 98.669  5.9665 103.136 8.3146  93.927  8.5669 687.464 28.559 654.388 30.913 33.07574       42.08638 
1 1 1 10  33 3  o 170.413 43.823 6.8546  3.1804 6.8546  3.1804  0.0000  0.0000 170.413 43.823 ?       ?      0.000000       43.82323 
1 1 1 10  33 4  o 295.090 33.548 19.529  4.1179 19.529  4.1179  0.0000  0.0000 295.090 33.548 ?       ?      0.000000       33.54820 
1 1 1 10  33 5  o 79.755  34.901 -0.2762 2.2438 0.0000  0.0000  -0.2762 2.2438 ?       ?      79.755  34.901 0.000000       34.90139 
1 1 1 10  33 6  o 314.244 23.561 21.593  3.1127 25.426  4.3782  17.674  4.4261 337.399 30.988 276.712 38.840 60.68674       49.68680 
1 1 1 10  33 7  o 401.685 22.660 35.170  3.8390 36.291  5.4225  34.043  5.4357 402.392 32.087 388.821 33.334 13.57117       46.26791 
1 1 1 10  33 8  o 267.090 26.085 15.781  2.9128 19.948  4.1923  11.892  4.0500 296.400 34.015 222.565 44.524 73.83481       56.03035 
1 1 1 10  33 9  o 195.693 28.903 8.6441  2.3233 5.9903  3.5165  10.700  3.0949 156.512 48.259 215.193 35.176 -58.68059      59.71832 
1 1 1 10  33 10 o 239.291 28.027 12.863  2.7864 14.178  3.8969  11.488  3.9858 245.339 38.797 216.730 44.903 28.60962       59.34157 
1 1 1 10  33 11 o 184.672 32.884 7.9259  2.4775 8.8914  3.5037  6.9604  3.5036 189.580 44.418 166.221 47.436 23.35892       64.98557 
1 1 1 10  33 12 o 157.664 34.129 5.8669  2.2127 5.2667  3.1576  6.4461  3.1016 146.038 45.846 161.053 44.156 -15.01530      63.65221 
1 1 1 10  34 0  o 299.856 23.726 19.571  2.9883 21.286  4.0733  17.573  4.3974 309.690 31.496 278.027 38.370 31.66315       49.64176 
1 1 1 10  34 1  o 207.051 42.467 10.032  3.5987 10.032  3.5987  0.0000  0.0000 207.051 42.467 ?       ?      0.000000       42.46693 
1 1 1 10  34 2  o 138.386 43.045 4.4113  2.7907 4.4113  2.7907  0.0000  0.0000 138.386 43.045 ?       ?      0.000000       43.04478 
1 1 1 10  34 3  o 81.264  35.032 0.0000  2.1911 0.0000  2.1911  0.0000  0.0000 81.264  35.032 ?       ?      0.000000       35.03158 
1 1 1 10  34 4  o 294.933 33.044 19.595  4.0563 0.0000  0.0000  19.595  4.0563 ?       ?      294.933 33.044 0.000000       33.04420 
1 1 1 10  34 5  o 137.772 34.587 4.4241  2.0150 5.8538  3.0588  3.3280  2.6782 156.050 44.250 123.026 42.398 33.02361       61.28334 
1 1 1 10  34 6  o 277.945 24.588 17.003  2.8643 18.368  4.0722  15.666  4.0295 283.933 34.581 260.280 37.650 23.65274       51.12126 
1 1 1 10  34 7  o 91.555  35.377 1.3686  1.9475 3.6461  2.8590  -0.6030 2.6601 127.483 43.813 83.770  37.270 43.71253       57.52080 
1 1 1 10  34 8  o 283.165 23.604 17.632  2.8047 21.430  3.9528  13.782  3.9802 308.606 30.651 241.676 40.309 66.92978       50.63892 
1 1 1 10  34 9  o 385.872 23.652 32.750  3.8464 28.284  5.3100  37.681  5.5793 349.743 36.384 407.336 32.617 -57.59360      48.86357 
1 1 1 10  34 10 o 344.423 24.037 26.222  3.4840 26.972  4.8841  25.444  4.9714 342.218 34.157 330.810 36.070 11.40817       49.67646 
1 1 1 10  34 11 o 153.535 35.017 5.6074  2.2264 6.5952  3.0912  4.5428  3.2092 162.723 43.862 137.148 46.429 25.57469       63.87103 
1 1 1 10  34 12 o 129.231 46.195 3.8445  3.1995 3.8445  3.1995  0.0000  0.0000 129.231 46.195 ?       ?      0.000000       46.19535 
1 1 1 10  35 0  o 97.569  34.741 1.8880  1.8079 1.8391  2.6538  1.9305  2.4697 106.221 41.226 105.207 40.041 1.013374       57.47084 
1 1 1 10  35 1  o 264.089 35.082 15.834  3.8264 15.834  3.8264  0.0000  0.0000 264.089 35.082 ?       ?      0.000000       35.08156 
1 1 1 10  35 2  o 96.012  36.466 1.5972  2.0457 0.6666  2.7298  2.7893  3.0897 95.386  40.026 119.966 44.981 -24.58015      60.21103 
1 1 1 10  35 3  o 123.436 41.132 3.4237  2.5188 0.0000  0.0000  3.4237  2.5188 ?       ?      123.436 41.132 0.000000       41.13226 
1 1 1 10  35 4  o 213.030 27.173 10.133  2.3956 10.284  3.5029  10.001  3.2836 208.152 41.196 206.293 39.014 1.858810       56.73827 
1 1 1 10  35 5  o 87.114  33.354 1.2656  1.7201 -1.4725 2.6187  3.3433  2.2812 77.160  35.376 121.026 39.079 -43.86612      52.71276 
1 1 1 10  35 6  o 89.407  33.237 1.4712  1.6799 0.2525  2.4262  2.5936  2.3283 86.751  37.119 110.969 39.435 -24.21821      54.15650 
1 1 1 10  35 7  o 226.774 26.004 11.456  2.4522 11.714  3.3699  11.166  3.5750 224.102 36.784 216.684 40.447 7.417847       54.67205 
1 1 1 10  35 8  o 295.335 25.124 19.344  3.1125 20.991  4.3127  17.553  4.4964 302.057 34.324 272.006 40.249 30.05066       52.89751 
1 1 1 10  35 9  o 326.043 23.098 23.452  3.1686 23.782  4.4015  23.097  4.5651 321.995 32.733 315.820 34.705 6.174652       47.70641 
1 1 1 10  35 10 o 94.903  35.549 1.7253  1.9289 4.2487  2.8764  -0.3368 2.6002 132.764 43.942 83.695  37.060 49.06882       57.48324 
1 1 1 10  35 11 o 198.164 31.524 9.0900  2.5569 6.3726  3.5767  11.930  3.6565 157.913 48.667 222.063 40.369 -64.14998      63.23063 
1 1 1 10  36 0  o 162.234 43.083 6.3216  3.0098 6.3216  3.0098  0.0000  0.0000 162.234 43.083 ?       ?      0.000000       43.08294 
1 1 1 10  36 1  f 232.875 56.456 13.866  5.5100 0.0000  0.0000  13.866  5.5100 ?       ?      232.875 56.456 0.000000       56.45639 
1 1 1 10  36 2  o 115.152 45.030 2.3049  3.1845 0.0000  0.0000  2.3049  3.1845 ?       ?      115.152 45.030 0.000000       45.02980 
1 1 1 10  36 3  o 134.327 33.734 4.2187  1.9163 2.5380  2.8593  5.5893  2.5820 114.492 43.201 152.940 39.566 -38.44758      58.58153 
1 1 1 10  36 4  f 390.723 21.870 33.318  3.6043 33.392  5.0816  33.244  5.1130 385.158 31.429 384.084 31.718 1.073914       44.65210 
1 1 1 10  36 5  o 181.944 29.383 7.5244  2.1868 6.1875  3.2068  8.6866  2.9899 158.837 45.400 191.706 38.169 -32.86908      59.31353 
1 1 1 10  36 6  o 230.027 26.590 11.829  2.5425 12.443  3.7035  11.281  3.4967 229.128 39.599 218.099 39.304 11.02962       55.79368 
1 1 1 10  36 7  o 144.962 34.945 4.9851  2.1202 1.8283  3.0714  7.8586  2.9304 108.341 43.613 180.619 39.418 -72.27866      58.78659 
1 1 1 10  36 8  o 233.709 26.853 12.298  2.6095 10.221  3.6659  14.432  3.7154 203.124 43.897 247.546 36.540 -44.42216      57.11447 
1 1 1 10  36 9  o 89.234  34.261 1.4023  1.8181 1.1111  2.7496  1.6284  2.4235 97.534  40.488 98.911  39.096 -1.377235      56.28318 
1 1 1 10  36 10 o 160.862 34.544 6.1604  2.2830 7.7001  3.2869  4.7253  3.1733 174.879 44.324 138.473 46.170 36.40565       64.00199 
1 1 1 10  37 0  o 130.618 44.879 3.8963  2.9996 0.0000  0.0000  3.8963  2.9996 ?       ?      130.618 44.879 0.000000       44.87856 
1 1 1 10  37 1  o 192.349 57.697 9.7142  5.0736 0.0000  0.0000  9.7142  5.0736 ?       ?      192.349 57.697 0.000000       57.69714 
1 1 1 10  37 2  o 211.591 29.485 10.135  2.5702 12.270  3.5406  7.7552  3.7371 228.759 37.872 176.034 48.554 52.72505       61.57746 
1 1 1 10  37 3  o 187.457 30.173 8.0164  2.3141 8.8090  3.2083  7.1570  3.3409 191.524 40.805 170.257 45.475 21.26692       61.09803 
1 1 1 10  37 4  o 243.533 24.520 13.146  2.4944 13.869  3.4738  12.376  3.5841 245.162 34.406 229.208 38.273 15.95447       51.46452 
1 1 1 10  37 5  o 72.161  30.725 0.1760  1.6476 2.5018  2.5872  -1.4106 2.1369 111.068 41.256 68.363  31.566 42.70509       51.94651 
1 1 1 10  37 6  o 188.178 29.227 8.0973  2.2536 2.8150  3.3432  12.496  3.0509 119.576 46.311 233.167 31.720 -113.5912      56.13254 
1 1 1 10  37 7  o 215.296 27.206 10.492  2.4252 13.125  3.5181  8.1081  3.3476 235.589 36.439 179.767 44.266 55.82236       57.33469 
1 1 1 10  37 8  o 277.844 24.282 17.209  2.8284 18.078  3.9970  16.337  4.0030 277.868 34.725 262.313 37.068 15.55502       50.79198 
1 1 1 10  37 9  o 147.316 35.711 5.2346  2.2048 7.4956  3.2292  3.2602  3.0176 172.229 44.086 120.973 44.630 51.25629       62.73338 
1 1 1 10  37 10 o 287.124 36.483 19.477  4.3360 19.477  4.3360  0.0000  0.0000 287.124 36.483 ?       ?      0.000000       36.48330 
1 1 1 10  38 0  o 102.050 39.641 1.8013  2.4553 0.0000  0.0000  1.8013  2.4553 ?       ?      102.050 39.641 0.000000       39.64135 
1 1 1 10  38 1  o 269.875 51.929 18.420  5.7194 0.0000  0.0000  18.420  5.7194 ?       ?      269.875 51.929 0.000000       51.92855 
1 1 1 10  38 2  o 84.146  34.492 0.7692  1.9620 2.6727  2.5833  -1.8258 3.0163 113.108 41.360 81.035  37.446 32.07327       55.79325 
1 1 1 10  38 3  o 178.320 31.979 7.3648  2.3262 9.7546  3.1635  4.5512  3.4325 202.452 38.301 138.384 47.981 64.06787       61.39371 
1 1 1 10  38 4  o 111.842 35.248 2.8941  1.8645 3.8492  2.9016  2.2224  2.4333 128.314 44.136 106.140 39.894 22.17416       59.49448 
1 1 1 10  38 5  o 113.477 34.638 3.0193  1.8169 2.4748  2.8071  3.4118  2.3835 111.654 42.642 120.628 40.004 -8.974403      58.46979 
1 1 1 10  38 6  o 252.981 23.985 14.271  2.5389 13.958  3.5178  14.612  3.6680 243.457 35.137 248.666 35.869 -5.209625      50.21108 
1 1 1 10  38 7  o 129.081 34.219 3.9999  1.9009 4.7589  2.7612  3.3159  2.6209 138.296 42.783 119.539 41.899 18.75749       59.88265 
1 1 1 10  38 8  o 129.778 37.362 4.0968  2.1645 5.1507  3.1442  3.1475  2.9842 142.731 45.857 119.228 44.304 23.50361       63.76289 
1 1 1 10  38 9  o 134.699 46.560 4.4552  3.2309 4.4552  3.2309  0.0000  0.0000 134.699 46.560 ?       ?      0.000000       46.55978 
1 1 1 10  39 0  o 202.566 26.378 9.2307  2.2091 9.3322  3.3521  9.1528  2.9372 195.718 41.718 196.654 36.616 -0.9360809     55.50791 
1 1 1 10  39 1  o 203.842 43.320 10.217  3.6243 0.0000  0.0000  10.217  3.6243 ?       ?      203.842 43.320 0.000000       43.32017 
1 1 1 10  39 2  o 219.385 24.890 10.761  2.2716 10.889  3.4543  10.664  3.0153 212.500 39.848 213.411 34.543 -0.9107208     52.73632 
1 1 1 10  39 3  o 189.013 28.624 8.1755  2.2195 8.1206  3.4079  8.2160  2.9249 179.430 44.944 184.156 38.733 -4.725723      59.33137 
1 1 1 10  39 4  o 284.674 24.322 18.075  2.9040 17.607  4.1221  18.537  4.0918 272.567 36.639 280.886 35.169 -8.319122      50.78687 
1 1 1 10  39 5  o 206.562 26.046 9.6640  2.2278 12.957  3.1363  6.3104  3.1650 235.815 32.251 156.992 45.174 78.82329       55.50507 
1 1 1 10  39 6  o 146.696 32.583 5.1271  1.9716 4.1855  2.9544  5.8830  2.6472 130.653 44.546 153.626 40.218 -22.97267      60.01515 
1 1 1 10  39 7  o 259.309 23.874 15.038  2.5922 12.276  3.5555  18.172  3.7874 224.710 38.763 279.121 32.659 -54.41095      50.68653 
1 1 1 10  39 8  o 71.144  33.473 -2.1833 2.5901 -2.1833 2.5901  0.0000  0.0000 71.144  33.473 ?       ?      0.000000       33.47264 
1 1 1 10  40 0  o 123.704 37.412 3.6649  2.1267 5.3685  3.1557  2.2472  2.8787 146.188 45.822 109.648 42.831 36.53979       62.72301 
1 1 1 10  40 1  o 175.006 38.119 7.4434  2.7451 0.0000  0.0000  7.4434  2.7451 ?       ?      175.006 38.119 0.000000       38.11860 
1 1 1 10  40 2  o 81.314  33.148 0.8124  1.7997 -0.4345 2.7042  1.8037  2.4111 83.988  37.457 100.168 39.179 -16.18011      54.20349 
1 1 1 10  40 3  o 180.466 29.681 7.5606  2.1895 5.3248  3.2224  9.4782  2.9843 144.316 46.430 198.132 36.925 -53.81610      59.32261 
1 1 1 10  40 4  o 178.494 30.708 7.4574  2.2376 5.3060  3.3249  9.2383  3.0251 143.598 47.230 194.504 38.088 -50.90602      60.67438 
1 1 1 10  40 5  o 177.188 31.781 7.4059  2.2972 8.0004  3.4879  6.9505  3.0527 175.077 46.324 164.934 43.193 10.14217       63.33745 
1 1 1 10  40 6  f 113.911 35.467 3.1009  1.8942 1.8041  2.8332  4.1490  2.5471 103.682 41.835 129.421 41.242 -25.73889      58.74564 
1 1 1 10  40 7  o 284.890 36.819 19.434  4.3382 19.434  4.3382  0.0000  0.0000 284.890 36.819 ?       ?      0.000000       36.81876 
1 1 1 10  41 0  o 283.424 20.910 17.745  2.4921 20.963  3.8149  15.350  3.2915 301.614 30.276 257.378 30.810 44.23611       43.19582 
1 1 1 10  41 1  o 143.952 40.472 5.2042  2.5702 0.0000  0.0000  5.2042  2.5702 ?       ?      143.952 40.472 0.000000       40.47159 
1 1 1 10  41 2  o 102.125 34.881 2.3728  1.8115 1.2990  2.6155  3.3627  2.5113 96.451  39.713 118.739 41.048 -22.28766      57.11438 
1 1 1 10  41 3  o 163.608 39.278 6.6883  2.6870 5.0806  3.1066  11.463  5.3539 140.431 45.627 197.464 59.278 -57.03325      74.80471 
1 1 1 10  41 4  o 171.346 31.238 6.9383  2.1832 6.7399  3.2028  7.1105  2.9839 160.617 45.187 166.894 42.194 -6.277481      61.82366 
1 1 1 10  41 5  o 153.742 32.682 5.6641  2.0624 0.2502  3.4253  8.7427  2.5830 97.187  42.810 191.775 32.995 -94.58744      54.04922 
1 1 1 10  42 0  o 125.070 35.045 3.8314  1.9305 4.6239  3.1492  3.3544  2.4435 134.360 45.990 117.894 40.506 16.46617       61.28434 
1 1 1 10  42 1  o 180.789 38.945 8.1570  2.8937 0.0000  0.0000  8.1570  2.8937 ?       ?      180.789 38.945 0.000000       38.94460 
1 1 1 10  42 2  o 98.258  35.737 2.0854  1.9248 3.8909  2.8814  0.6304  2.5866 125.422 43.934 89.626  38.337 35.79591       58.30919 
1 1 1 10  42 3  o 103.483 39.740 2.1803  2.4464 -0.9025 2.7191  15.278  5.6045 80.132  36.475 230.051 57.644 -149.9196      68.21480 
1 1 1 10  42 4  o 223.920 26.169 11.441  2.4348 12.247  3.5624  10.735  3.3354 222.486 39.243 207.949 39.315 14.53687       55.54871 
1 1 1 10  43 0  o 121.249 39.894 3.6558  2.3722 4.1455  2.7101  2.0514  4.9054 127.753 42.669 119.657 51.997 8.096352       67.26318 
1 1 1 10  43 1  o 186.052 28.892 8.0951  2.2026 8.5616  3.3846  7.7524  2.9009 180.396 44.564 174.752 40.055 5.644348       59.91997 
1 1 1 10  43 2  o 111.016 36.356 2.9657  1.9709 1.0812  2.9847  4.4229  2.6245 97.656  41.461 131.636 41.855 -33.98056      58.91396 
1 1 1 10  44 0  o 222.895 32.036 11.834  2.9371 11.171  3.4790  13.481  5.4800 209.687 40.645 210.714 59.046 -1.027130      71.68245 
1 1 1 11  0  0  o 102.190 48.054 3.2644  2.3388 3.2644  2.3388  0.0000  0.0000 102.190 48.054 102.190 48.054 0.000000       0.000000 
1 1 1 11  0  1  o 331.858 23.834 23.735  3.3099 19.450  4.6108  28.290  4.7542 294.836 38.792 360.650 31.691 0.000000       0.000000 
1 1 1 11  0  2  o 1265.10 26.238 340.372 14.043 345.101 19.920  335.699 19.802 1271.14 37.075 1253.57 37.375 0.000000       0.000000 
1 1 1 11  0  3  o 364.790 23.621 28.601  3.6140 32.947  5.1717  24.453  5.0523 389.739 31.822 332.839 37.014 0.000000       0.000000 
1 1 1 11  0  4  o 748.762 23.717 119.383 7.5033 126.363 10.631  112.453 10.592 768.500 32.801 724.250 34.715 0.000000       0.000000 
1 1 1 11  0  5  o 801.027 24.009 136.601 8.1281 154.689 11.611  119.219 11.382 850.791 32.332 745.434 36.251 0.000000       0.000000 
1 1 1 11  0  6  o 947.724 24.653 191.130 9.8793 200.515 13.961  181.715 13.982 968.611 34.130 921.424 35.957 0.000000       0.000000 
1 1 1 11  0  7  o 654.507 33.567 91.938  9.2481 91.938  9.2481  0.0000  0.0000 654.507 33.567 654.507 33.567 0.000000       0.000000 
1 1 1 11  0  8  o 735.539 33.901 116.029 10.509 116.029 10.509  0.0000  0.0000 735.539 33.901 735.539 33.901 0.000000       0.000000 
1 1 1 11  0  9  o 210.504 31.575 10.048  2.6281 6.3502  3.4962  14.853  3.9849 146.145 58.332 254.927 39.804 0.000000       0.000000 
1 1 1 11  0  10 o 631.738 23.999 85.238  6.3995 87.756  9.0169  82.683  9.0841 638.460 33.561 619.154 34.899 0.000000       0.000000 
1 1 1 11  0  11 o 298.573 26.753 19.438  3.3202 20.755  4.5147  17.888  4.9000 305.224 36.279 278.348 45.125 0.000000       0.000000 
1 1 1 11  0  12 o 245.852 28.535 13.400  2.8666 11.665  3.8313  15.606  4.3206 219.594 46.895 259.742 42.763 0.000000       0.000000 
1 1 1 11  0  13 o 132.557 58.162 5.4819  3.4110 0.0000  0.0000  5.4819  3.4110 132.557 58.162 132.557 58.162 0.000000       0.000000 
1 1 1 11  0  14 o 944.087 25.134 190.529 10.033 196.816 14.073  184.031 14.307 955.429 34.886 922.841 36.740 0.000000       0.000000 
1 1 1 11  0  15 o 479.220 24.634 49.422  4.9692 61.436  6.9950  37.183  7.0604 532.333 31.276 408.036 41.869 0.000000       0.000000 
1 1 1 11  0  16 o 616.882 24.293 81.680  6.3241 85.341  8.7583  77.692  9.1411 627.018 33.196 596.453 36.502 0.000000       0.000000 
1 1 1 11  0  17 o 158.581 39.343 6.3164  2.2867 7.2974  2.9817  4.9156  3.5632 165.331 48.963 122.407 59.113 0.000000       0.000000 
1 1 1 11  0  18 o 97.263  43.816 2.9871  1.9341 0.7846  2.5643  5.8935  2.9457 69.442  43.202 141.379 52.800 0.000000       0.000000 
1 1 1 11  0  19 o 379.755 25.267 31.337  4.0222 37.261  5.6121  25.080  5.7674 411.264 32.698 330.302 43.292 0.000000       0.000000 
1 1 1 11  1  0  o 323.172 23.594 22.336  3.2068 22.240  4.4798  22.436  4.5925 320.879 33.459 322.164 34.183 -1.284485      47.83314 
1 1 1 11  1  1  o 775.466 16.686 127.641 5.4797 132.486 7.7628  122.829 7.7363 789.151 23.228 759.721 24.046 29.42981       33.43257 
1 1 1 11  1  2  o 1181.56 18.146 296.483 9.0801 283.582 12.803  309.537 12.879 1153.73 26.204 1205.64 25.225 -51.91248      36.37277 
1 1 1 11  1  3  o 379.909 16.392 30.637  2.6372 31.793  3.7107  29.457  3.7488 385.902 22.807 371.241 23.973 14.66101       33.08886 
1 1 1 11  1  4  o 623.089 16.488 82.418  4.3508 81.667  6.1373  83.177  6.1689 619.444 23.395 625.159 23.301 -5.715393      33.01933 
1 1 1 11  1  5  o 581.902 16.418 71.882  4.0459 69.360  5.7151  74.417  5.7285 570.818 23.642 591.362 22.874 -20.54358      32.89618 
1 1 1 11  1  6  o 686.278 19.272 100.087 5.6009 95.154  6.8325  110.192 9.7794 668.471 24.136 717.792 32.171 -49.32074      40.21837 
1 1 1 11  1  7  o 369.654 19.560 29.127  3.0511 29.703  3.7280  27.959  5.3101 372.720 23.742 359.417 35.344 13.30365       42.57792 
1 1 1 11  1  8  o 1083.64 25.407 250.479 11.660 250.017 16.472  250.942 16.506 1078.64 36.061 1080.63 36.069 -1.991333      51.00328 
1 1 1 11  1  9  o 884.063 17.322 166.148 6.4851 164.227 9.1529  168.085 9.1900 877.169 24.639 887.466 24.452 -10.29736      34.71336 
1 1 1 11  1  10 o 934.561 20.354 186.104 8.0555 208.427 14.060  175.196 9.8286 983.651 33.752 905.096 25.642 78.55511       42.38779 
1 1 1 11  1  11 o 353.425 17.161 26.583  2.5686 27.503  3.7016  25.727  3.5672 357.733 24.583 345.951 24.507 11.78201       34.71161 
1 1 1 11  1  12 o 535.161 16.776 60.966  3.8021 60.829  5.3820  61.103  5.3721 533.122 23.838 534.342 23.740 -1.220276      33.64293 
1 1 1 11  1  13 o 291.741 26.260 18.419  3.2096 18.581  4.6304  18.270  4.4530 289.466 38.745 287.403 37.478 2.062744       53.90524 
1 1 1 11  1  14 o 646.614 17.135 89.146  4.6920 88.233  6.6464  90.053  6.6248 641.002 24.484 647.700 24.152 -6.698303      34.39160 
1 1 1 11  1  15 o 480.721 16.983 49.331  3.4575 52.709  4.9488  46.109  4.8325 495.055 23.605 462.029 24.788 33.02603       34.22934 
1 1 1 11  1  16 o 309.074 17.720 20.488  2.3097 20.794  3.3203  20.201  3.2150 309.279 25.580 304.947 25.119 4.332001       35.85079 
1 1 1 11  1  17 o 306.197 17.993 20.136  2.3230 21.422  3.3430  18.936  3.2303 313.720 25.380 294.579 26.166 19.14078       36.45281 
1 1 1 11  1  18 o 264.588 18.813 15.102  2.0943 14.687  3.0222  15.485  2.9048 258.014 28.114 265.708 26.154 -7.693573      38.39817 
1 1 1 11  1  19 o 137.612 25.743 4.2433  1.4451 2.8893  2.0166  5.6727  2.0719 114.337 36.724 157.749 32.106 -43.41231      48.77979 
1 1 1 11  2  0  o 435.174 22.886 40.388  4.2029 44.089  5.8929  36.557  5.9961 453.444 30.872 411.986 34.690 41.45718       46.43725 
1 1 1 11  2  1  o 1233.54 18.316 323.139 9.5679 333.367 13.519  312.874 13.543 1251.19 25.514 1211.88 26.388 39.30664       36.70566 
1 1 1 11  2  2  o 511.369 16.209 55.501  3.5101 54.548  4.9252  56.485  5.0039 506.359 22.968 515.276 22.931 -8.916077      32.45539 
1 1 1 11  2  3  o 312.658 16.820 20.813  2.2190 19.767  3.1410  21.855  3.1351 303.706 24.634 319.629 23.323 -15.92261      33.92303 
1 1 1 11  2  4  f 500.346 16.342 53.143  3.4628 48.861  4.8626  57.549  4.9325 478.468 24.075 520.102 22.394 -41.63416      32.87987 
1 1 1 11  2  5  o 534.811 16.430 60.720  3.7212 63.363  5.2676  58.086  5.2575 545.683 22.794 522.354 23.767 23.32831       32.93084 
1 1 1 11  2  6  o 279.408 20.263 16.683  2.3813 15.613  2.8868  18.962  4.2127 269.488 25.602 295.653 34.282 -26.16461      42.78730 
1 1 1 11  2  7  o 860.084 24.214 157.583 8.8197 145.596 12.403  169.846 12.544 823.873 35.548 890.556 33.262 -66.68262      48.68238 
1 1 1 11  2  8  o 380.887 19.524 30.933  3.1386 29.300  3.8184  34.335  5.5108 369.915 24.514 398.898 32.916 -28.98245      41.04091 
1 1 1 11  2  9  o 390.820 16.868 32.464  2.7918 35.440  3.9861  29.599  3.9114 407.006 23.222 371.519 25.006 35.48715       34.12580 
1 1 1 11  2  10 o 421.683 19.729 37.876  3.5232 38.209  6.1872  37.716  4.2859 419.453 35.155 419.483 24.229 -0.2981567E-01 42.69616 
1 1 1 11  2  11 o 370.597 16.983 29.226  2.6654 29.472  3.7666  28.980  3.7723 370.455 24.141 367.285 24.391 3.169891       34.31810 
1 1 1 11  2  12 o 228.974 19.240 11.257  1.8483 12.919  2.6560  9.6961  2.5738 244.097 26.098 210.259 29.734 33.83798       39.56336 
1 1 1 11  2  13 o 274.716 25.971 16.341  2.9856 17.480  4.3908  15.361  4.0718 280.880 37.879 263.106 37.614 17.77393       53.38201 
1 1 1 11  2  14 o 535.580 16.862 61.148  3.8245 63.632  5.4192  58.684  5.3981 544.633 23.496 522.768 24.383 21.86456       33.86121 
1 1 1 11  2  15 o 153.327 23.900 5.1725  1.5013 5.4766  2.2202  4.9163  2.0378 155.327 34.636 147.278 33.436 8.048218       48.14120 
1 1 1 11  2  16 o 313.740 17.813 21.113  2.3570 24.367  3.3570  17.950  3.3100 335.508 23.781 286.564 27.616 48.94379       36.44457 
1 1 1 11  2  17 o 255.403 18.839 14.052  2.0233 14.110  2.8251  13.990  2.8989 253.795 26.685 252.430 27.566 1.365097       38.36618 
1 1 1 11  2  18 o 310.192 17.890 20.696  2.3402 19.643  3.3205  21.736  3.2986 299.404 26.460 315.665 24.876 -16.26086      36.31795 
1 1 1 11  2  19 o 224.324 19.567 10.903  1.8402 10.730  2.6070  11.075  2.5980 219.711 28.704 223.492 28.069 -3.780777      40.14715 
1 1 1 11  3  0  o 494.816 22.684 52.074  4.7534 52.108  6.6899  52.038  6.7552 492.853 32.230 492.453 32.575 0.4006653      45.82474 
1 1 1 11  3  1  o 1085.36 17.639 250.122 8.1077 242.879 11.392  257.557 11.542 1068.02 25.187 1099.92 24.778 -31.89734      35.33153 
1 1 1 11  3  2  o 742.023 16.474 116.872 5.1769 110.585 7.2649  123.358 7.3790 720.832 23.799 761.472 22.882 -40.64087      33.01481 
1 1 1 11  3  3  o 336.385 16.615 24.021  2.3670 26.088  3.3181  21.880  3.3775 349.465 22.541 319.545 25.162 29.92017       33.78167 
1 1 1 11  3  4  f 787.760 16.738 131.750 5.5840 130.273 7.8405  133.271 7.9545 782.299 23.666 791.237 23.739 -8.937439      33.52075 
1 1 1 11  3  5  o 219.040 18.322 10.262  1.6840 8.0484  2.3385  12.647  2.4269 191.955 29.728 242.572 23.937 -50.61716      38.16727 
1 1 1 11  3  6  o 722.873 19.241 111.048 5.8901 113.465 7.1959  106.140 10.253 730.089 23.274 703.936 34.394 26.15222       41.52872 
1 1 1 11  3  7  o 635.965 33.597 86.878  9.0164 0.0000  0.0000  86.878  9.0164 ?       ?      635.965 33.597 0.000000       33.59692 
1 1 1 11  3  8  o 203.294 23.296 8.9193  1.9695 10.094  2.3629  6.2456  3.5642 215.900 26.393 167.412 47.868 48.48749       54.66257 
1 1 1 11  3  9  o 420.434 16.811 37.571  2.9933 38.835  4.2482  36.325  4.2182 426.020 23.640 411.857 24.292 14.16251       33.89604 
1 1 1 11  3  10 o 416.849 19.652 37.013  3.4693 37.472  6.0649  36.790  4.2296 415.433 34.794 414.267 24.214 1.165771       42.39008 
1 1 1 11  3  11 o 322.346 17.610 22.185  2.3948 20.980  3.3822  23.397  3.3914 311.939 25.835 329.819 24.455 -17.88022      35.57370 
1 1 1 11  3  12 o 949.734 17.698 192.138 7.1181 198.652 10.060  185.608 10.073 962.997 24.668 930.449 25.563 32.54816       35.52460 
1 1 1 11  3  13 o 212.809 28.891 9.9243  2.5364 10.907  3.8365  9.1617  3.3806 219.375 42.832 201.129 41.078 18.24591       59.34679 
1 1 1 11  3  14 o 619.822 19.474 82.089  5.1117 90.761  8.7213  77.551  6.3090 646.876 31.836 600.764 24.798 46.11224       40.35392 
1 1 1 11  3  15 o 188.544 21.024 7.7130  1.6501 8.5794  2.3678  6.8948  2.3009 196.907 29.287 175.336 32.173 21.57164       43.50657 
1 1 1 11  3  16 o 158.133 22.265 5.4766  1.4497 5.2308  2.0829  5.7076  2.0190 151.804 33.315 159.278 31.048 -7.474030      45.53952 
1 1 1 11  3  17 o 306.760 17.953 20.212  2.3221 17.141  3.2867  23.271  3.2812 279.465 28.154 327.540 23.818 -48.07507      36.87774 
1 1 1 11  3  18 o 221.228 19.430 10.595  1.8019 9.1660  2.5889  11.938  2.5095 202.096 31.258 233.058 25.862 -30.96182      40.56970 
1 1 1 11  3  19 o 325.706 18.030 22.834  2.4772 26.200  3.5851  19.758  3.4269 346.613 24.583 299.723 27.297 46.89069       36.73513 
1 1 1 11  4  0  o 742.661 23.269 117.337 7.3185 120.694 10.255  113.852 10.447 751.598 32.219 729.655 33.810 21.94330       46.70301 
1 1 1 11  4  1  o 311.697 16.608 20.681  2.1843 23.328  3.0967  18.059  3.0816 330.457 22.257 290.124 25.335 40.33237       33.72318 
1 1 1 11  4  2  o 608.404 16.175 78.565  4.1675 78.491  5.8373  78.642  5.9518 607.420 22.692 607.950 23.117 -0.5295410     32.39366 
1 1 1 11  4  3  o 429.028 16.206 39.070  2.9445 43.661  4.1269  34.310  4.2024 453.113 21.507 400.617 24.893 52.49551       32.89672 
1 1 1 11  4  4  o 585.714 16.313 72.825  4.0465 72.236  5.6602  73.442  5.7870 582.620 22.941 587.420 23.263 -4.800537      32.67155 
1 1 1 11  4  5  o 1350.04 18.995 387.267 10.860 395.433 15.291  378.955 15.426 1361.97 26.511 1333.02 27.327 28.95764       38.07337 
1 1 1 11  4  6  o 643.163 33.725 88.808  9.1537 0.0000  0.0000  88.808  9.1537 ?       ?      643.163 33.725 0.000000       33.72461 
1 1 1 11  4  7  o 451.129 33.415 43.830  6.3384 0.0000  0.0000  43.830  6.3384 ?       ?      451.129 33.415 0.000000       33.41451 
1 1 1 11  4  8  o 429.232 16.669 39.140  3.0300 41.761  4.2428  36.412  4.3285 442.174 22.735 412.440 24.899 29.73392       33.71685 
1 1 1 11  4  9  o 955.349 17.534 194.069 7.0937 194.871 9.9924  193.255 10.072 955.359 24.698 951.291 25.002 4.067810       35.14349 
1 1 1 11  4  10 o 595.550 19.427 75.545  4.8997 84.337  8.5602  71.261  5.9754 625.183 32.444 577.433 24.435 47.75049       40.61635 
1 1 1 11  4  11 o 383.859 17.097 31.360  2.7792 33.661  3.9737  29.157  3.8885 396.052 23.803 368.221 25.086 27.83090       34.58109 
1 1 1 11  4  12 o 480.120 16.871 49.079  3.4303 49.940  4.8344  48.206  4.8681 483.046 23.632 473.828 24.342 9.218109       33.92685 
1 1 1 11  4  13 o 61.459  27.398 -0.5540 1.4452 -2.1757 2.4019  0.3664  1.8094 70.415  32.837 79.082  32.838 -8.667091      46.43930 
1 1 1 11  4  14 o 323.229 25.093 22.591  3.4079 18.846  4.7375  26.606  4.9060 290.498 39.536 348.201 33.691 -57.70276      51.94426 
1 1 1 11  4  15 o 123.718 25.925 3.4225  1.3148 3.3815  1.9203  3.4587  1.8041 122.637 35.158 123.734 33.574 -1.096703      48.61357 
1 1 1 11  4  16 o 140.954 24.857 4.4077  1.4295 3.0911  2.0233  5.7201  2.0200 118.210 36.632 159.445 31.032 -41.23480      48.00954 
1 1 1 11  4  17 o 245.045 19.161 12.951  1.9726 11.868  2.8162  13.995  2.7639 231.639 29.368 252.848 26.192 -21.20886      39.35057 
1 1 1 11  4  18 o 292.147 18.274 18.382  2.2495 22.177  3.2560  14.917  3.1115 319.027 24.282 259.727 28.772 59.30011       37.64909 
1 1 1 11  4  19 o 336.489 17.874 24.361  2.5380 25.955  3.6386  22.850  3.5417 344.757 25.094 322.958 26.119 21.79916       36.22062 
1 1 1 11  5  0  o 562.859 22.707 67.387  5.4126 65.131  7.5439  69.781  7.7703 551.128 32.466 570.566 32.290 -19.43787      45.78959 
1 1 1 11  5  1  o 532.778 16.175 60.246  3.6495 57.917  5.0800  62.729  5.2463 521.756 22.991 543.017 22.814 -21.26074      32.38898 
1 1 1 11  5  2  o 614.096 16.339 80.048  4.2493 82.238  5.9494  77.767  6.0712 621.747 22.595 604.465 23.717 17.28125       32.75738 
1 1 1 11  5  3  o 860.918 16.848 157.361 6.1425 158.978 8.6098  155.685 8.7660 864.237 23.524 855.107 24.207 9.130432       33.75442 
1 1 1 11  5  4  o 645.459 16.401 88.444  4.4830 84.093  6.2658  93.007  6.4168 628.526 23.540 661.091 22.920 -32.56433      32.85538 
1 1 1 11  5  5  o 492.089 16.283 51.406  3.3933 52.283  4.7356  50.481  4.8649 495.685 22.559 486.955 23.591 8.730286       32.64092 
1 1 1 11  5  6  o 332.079 35.756 23.911  4.9492 0.0000  0.0000  23.911  4.9492 ?       ?      332.079 35.756 0.000000       35.75591 
1 1 1 11  5  7  o 419.285 23.803 37.569  4.2090 0.0000  0.0000  37.569  4.2090 ?       ?      419.285 23.803 0.000000       23.80252 
1 1 1 11  5  8  o 148.590 23.115 4.8148  1.4073 5.2664  1.9329  4.3053  2.0529 154.191 30.680 138.899 34.934 15.29214       46.49310 
1 1 1 11  5  9  o 932.369 17.469 184.854 6.8977 193.166 9.7210  176.425 9.7890 951.278 24.130 908.717 25.437 42.56006       35.06141 
1 1 1 11  5  10 o 370.765 17.499 29.250  2.7477 29.345  3.8450  29.150  3.9279 369.684 24.702 368.311 25.337 1.372711       35.38560 
1 1 1 11  5  11 o 700.205 16.954 104.348 5.0272 100.956 7.0288  107.900 7.1933 686.928 24.161 710.234 23.916 -23.30634      33.99604 
1 1 1 11  5  12 o 183.087 21.375 7.2557  1.6261 7.7822  2.2405  6.6697  2.3639 188.074 29.067 172.808 33.510 15.26521       44.36040 
1 1 1 11  5  13 o 185.019 32.918 7.6227  2.4847 6.1206  3.3255  9.5209  3.7384 163.908 46.020 204.127 44.501 -40.21919      64.01675 
1 1 1 11  5  14 o 407.298 34.841 36.424  5.9518 0.0000  0.0000  36.424  5.9518 ?       ?      407.298 34.841 0.000000       34.84137 
1 1 1 11  5  15 o 282.241 18.324 17.103  2.1783 15.522  3.0584  18.731  3.1033 266.494 27.495 293.681 25.196 -27.18692      37.29311 
1 1 1 11  5  16 o 262.361 18.366 14.800  2.0277 15.342  2.8838  14.270  2.8517 265.168 26.015 255.429 26.760 9.739120       37.32138 
1 1 1 11  5  17 o 457.848 17.044 44.841  3.3047 46.886  4.6257  42.709  4.7229 465.479 23.542 443.491 25.251 21.98779       34.52333 
1 1 1 11  5  18 o 170.512 32.840 6.6153  2.2854 8.2831  3.2953  5.0697  3.1722 187.773 42.439 147.774 45.880 39.99852       62.49838 
1 1 1 11  5  19 o 353.601 20.615 27.034  3.0736 21.258  5.3112  29.943  3.7689 303.285 42.520 370.807 24.132 -67.52161      48.89114 
1 1 1 11  6  0  o 577.675 18.472 70.876  4.5191 70.970  5.4828  70.678  7.9805 577.642 22.413 574.047 32.966 3.594727       39.86335 
1 1 1 11  6  1  o 683.912 16.343 99.282  4.7335 95.791  6.6118  102.953 6.7798 670.943 23.270 695.611 23.015 -24.66754      32.72862 
1 1 1 11  6  2  o 176.213 20.525 6.6891  1.5030 7.1350  2.1383  6.2536  2.1130 180.660 28.924 168.549 30.735 12.11035       42.20518 
1 1 1 11  6  3  o 555.746 16.258 65.563  3.8265 65.660  5.3694  65.463  5.4546 555.479 22.825 554.597 23.224 0.8826904      32.56288 
1 1 1 11  6  4  o 713.493 16.586 108.080 5.0115 105.008 7.0342  111.247 7.1416 702.318 23.650 722.935 23.327 -20.61694      33.21856 
1 1 1 11  6  5  f 140.779 23.316 4.3294  1.3414 4.5464  1.9206  4.1228  1.8743 143.001 32.458 136.131 32.881 6.870316       46.20237 
1 1 1 11  6  6  o 359.037 34.459 27.868  5.1751 0.0000  0.0000  27.868  5.1751 ?       ?      359.037 34.459 0.000000       34.45938 
1 1 1 11  6  7  o 486.968 34.072 51.087  6.9823 0.0000  0.0000  51.087  6.9823 ?       ?      486.968 34.072 0.000000       34.07191 
1 1 1 11  6  8  o 644.462 16.633 88.245  4.5396 85.658  6.3613  90.931  6.4802 633.829 23.699 653.100 23.430 -19.27081      33.32543 
1 1 1 11  6  9  o 1478.34 19.808 465.351 12.401 471.419 17.467  459.184 17.609 1483.96 27.795 1464.22 28.398 19.73389       39.73676 
1 1 1 11  6  10 o 550.076 16.700 64.360  3.8903 65.612  5.4551  63.066  5.5496 554.230 23.242 543.188 24.125 11.04254       33.49936 
1 1 1 11  6  11 o 422.293 17.129 37.962  3.0633 33.334  4.2203  43.115  4.4534 393.670 25.451 448.390 23.535 -54.72012      34.66438 
1 1 1 11  6  12 o 191.523 21.962 7.9408  1.7491 5.3632  2.4212  10.754  2.5296 154.035 37.474 222.097 27.481 -68.06238      46.47072 
1 1 1 11  6  13 o 450.721 24.767 43.715  4.7093 40.883  6.5401  46.766  6.7867 431.957 36.082 462.663 34.895 -30.70612      50.19542 
1 1 1 11  6  14 o 104.964 39.482 1.8616  2.3842 0.0000  0.0000  1.8616  2.3842 ?       ?      104.964 39.482 0.000000       39.48244 
1 1 1 11  6  15 o 187.259 26.216 7.7141  2.0220 1.1400  3.5886  10.772  2.4475 112.329 46.411 221.742 26.594 -109.4129      53.49076 
1 1 1 11  6  16 o 388.745 20.429 32.511  3.3514 31.652  5.8132  32.939  4.1017 376.975 36.886 389.797 24.979 -12.82150      44.54750 
1 1 1 11  6  17 o 196.060 25.410 8.4557  2.0602 9.6382  3.7312  7.9371  2.4710 202.763 44.660 187.780 32.234 14.98267       55.07738 
1 1 1 11  6  18 o 144.947 35.660 4.8547  2.1739 1.2374  2.9973  8.8696  3.1578 104.713 42.743 195.518 39.497 -90.80476      58.19776 
1 1 1 11  6  19 o 123.577 30.932 3.4910  1.6150 1.6937  2.8631  4.3298  1.9558 107.296 42.467 137.107 33.880 -29.81195      54.32611 
1 1 1 11  7  0  o 808.512 23.388 139.104 8.0081 136.024 11.100  142.446 11.564 797.595 32.863 816.060 33.462 -18.46533      46.90076 
1 1 1 11  7  1  o 808.239 19.204 138.795 6.5733 135.258 11.177  140.665 8.1275 795.191 33.190 812.960 23.607 -17.76874      40.72901 
1 1 1 11  7  2  o 474.004 18.903 47.736  3.7945 44.199  6.4228  49.632  4.7030 453.238 33.703 482.936 22.995 -29.69754      40.80046 
1 1 1 11  7  3  o 449.426 18.845 42.916  3.5868 39.375  6.1508  44.740  4.4152 427.484 34.264 458.522 22.738 -31.03818      41.12181 
1 1 1 11  7  4  o 620.918 18.943 81.922  4.9812 84.192  8.4993  80.734  6.1477 626.619 32.137 615.812 23.573 10.80695       39.85538 
1 1 1 11  7  5  o 833.685 19.519 147.724 6.8914 140.487 11.844  151.428 8.4733 809.773 34.539 843.317 23.726 -33.54401      41.90272 
1 1 1 11  7  6  o 823.704 34.111 145.390 11.899 0.0000  0.0000  145.390 11.899 ?       ?      823.704 34.111 0.000000       34.11140 
1 1 1 11  7  7  o 723.538 34.016 112.288 10.423 0.0000  0.0000  112.288 10.423 ?       ?      723.538 34.016 0.000000       34.01564 
1 1 1 11  7  8  o 580.282 19.258 71.638  4.7326 65.658  8.0967  74.741  5.8328 551.545 34.844 592.078 23.262 -40.53326      41.89526 
1 1 1 11  7  9  o 452.570 19.630 43.614  3.7622 44.192  6.4299  43.314  4.6393 451.860 33.847 449.666 24.454 2.194061       41.75682 
1 1 1 11  7  10 o 175.741 26.037 6.7515  1.8792 4.5639  3.2423  7.8581  2.3060 145.375 46.552 189.063 29.787 -43.68814      55.26627 
1 1 1 11  7  11 o 371.765 20.176 29.571  3.1646 32.295  5.4444  28.181  3.8892 385.119 33.721 361.759 25.550 23.35931       42.30777 
1 1 1 11  7  12 o 510.742 19.674 55.666  4.2553 60.355  7.3840  53.334  5.2069 527.078 33.251 498.832 24.648 28.24579       41.39016 
1 1 1 11  7  13 o 482.404 24.585 50.062  5.0059 53.609  7.1142  46.583  7.0452 495.722 34.095 460.999 36.383 34.72275       49.86179 
1 1 1 11  7  14 o 491.922 34.650 53.083  7.1724 0.0000  0.0000  53.083  7.1724 ?       ?      491.922 34.650 0.000000       34.65036 
1 1 1 11  7  15 o 153.003 29.219 5.2429  1.8242 5.6793  3.2548  5.0431  2.2027 156.942 45.999 148.667 35.480 8.274567       58.09251 
1 1 1 11  7  16 o 381.631 20.728 31.355  3.3374 29.199  5.8664  32.387  4.0580 360.794 39.016 386.475 24.927 -25.68073      46.29889 
1 1 1 11  7  17 o 261.107 22.108 14.793  2.4217 10.802  4.2439  16.721  2.9489 213.339 48.120 276.656 25.455 -63.31799      54.43803 
1 1 1 11  7  18 o 71.094  29.726 0.2759  1.4975 -1.2327 2.7002  0.9459  1.7996 80.862  36.627 84.813  33.637 -3.950836      49.72928 
1 1 1 11  7  19 o 230.791 23.183 11.643  2.2353 9.2797  3.7466  12.949  2.7853 197.303 45.732 241.970 27.679 -44.66777      53.45560 
1 1 1 11  8  0  o 1214.31 25.468 314.104 13.097 287.781 18.151  342.688 18.915 1158.48 36.998 1264.88 35.312 -106.3995      51.14470 
1 1 1 11  8  1  o 348.648 19.346 25.908  2.8453 25.441  4.8489  26.154  3.5138 343.178 33.803 349.707 23.869 -6.528748      41.38083 
1 1 1 11  8  2  o 1261.33 21.242 338.341 11.347 338.995 19.378  338.000 13.997 1257.30 36.393 1259.26 26.248 -1.963013      44.87062 
1 1 1 11  8  3  o 360.009 19.122 27.619  2.9048 30.787  5.0420  26.045  3.5539 378.147 31.779 348.891 24.203 29.25620       39.94602 
1 1 1 11  8  4  o 198.586 22.580 8.4991  1.8652 9.7756  3.4115  7.9548  2.2276 209.898 39.836 191.036 28.398 18.86201       48.92208 
1 1 1 11  8  5  o 533.367 18.912 60.454  4.2718 58.645  7.3009  61.395  5.2676 522.370 33.175 537.024 23.162 -14.65393      40.46046 
1 1 1 11  8  6  f 231.069 26.619 11.537  2.5572 0.0000  0.0000  11.537  2.5572 ?       ?      231.069 26.619 0.000000       26.61857 
1 1 1 11  8  7  o 285.310 39.606 17.864  4.6564 0.0000  0.0000  17.864  4.6564 ?       ?      285.310 39.606 0.000000       39.60647 
1 1 1 11  8  8  o 392.681 24.780 33.043  4.0998 37.680  5.8022  28.418  5.7937 417.589 33.080 360.912 38.501 56.67664       50.76028 
1 1 1 11  8  9  o 229.365 22.994 11.338  2.2034 8.4757  3.8260  12.759  2.6952 193.124 47.183 242.758 26.655 -49.63339      54.19212 
1 1 1 11  8  10 o 289.124 21.321 17.932  2.5921 14.904  4.3168  19.640  3.2415 258.798 40.734 301.821 25.602 -43.02283      48.11168 
1 1 1 11  8  11 o 233.208 23.234 11.745  2.2640 16.116  4.0682  9.7837  2.7250 270.252 36.478 210.804 31.490 59.44807       48.18941 
1 1 1 11  8  12 o 282.927 21.619 17.209  2.5708 24.573  4.6245  13.916  3.0926 335.435 32.981 252.498 29.477 82.93726       44.23393 
1 1 1 11  8  13 f 356.151 25.432 27.387  3.8107 28.877  5.2652  25.748  5.5221 362.823 34.690 340.878 38.952 21.94449       52.15991 
1 1 1 11  8  14 o 389.724 35.272 33.479  5.7584 0.0000  0.0000  33.479  5.7584 ?       ?      389.724 35.272 0.000000       35.27224 
1 1 1 11  8  15 o 274.000 21.855 16.230  2.5149 18.122  4.3302  15.266  3.0892 284.593 36.790 263.936 28.069 20.65720       46.27481 
1 1 1 11  8  16 o 464.144 19.982 46.214  3.9277 52.789  6.8409  42.982  4.7972 489.519 33.195 445.105 25.557 44.41443       41.89338 
1 1 1 11  8  17 o 221.736 23.859 10.747  2.2051 8.7743  3.8497  11.711  2.6902 192.017 47.584 230.206 28.183 -38.18942      55.30401 
1 1 1 11  8  18 o 108.306 31.760 2.6429  1.5513 4.0959  2.7108  1.9354  1.8916 134.079 42.527 99.255  35.516 34.82449       55.40697 
1 1 1 11  8  19 o 166.855 27.732 6.2337  1.8908 5.8857  3.3537  6.3959  2.2894 157.574 46.829 167.196 33.501 -9.621277      57.57806 
1 1 1 11  9  0  o 809.824 23.220 139.574 7.9634 132.996 10.999  146.821 11.545 788.489 32.939 828.465 32.905 -39.97607      46.55890 
1 1 1 11  9  1  f 327.268 19.741 22.846  2.7231 21.215  4.4698  23.808  3.4340 312.962 34.286 333.474 24.488 -20.51187      42.13282 
1 1 1 11  9  2  o 661.290 18.805 92.918  5.2664 80.554  8.8561  99.682  6.5505 612.346 34.289 684.412 22.600 -72.06604      41.06674 
1 1 1 11  9  3  o 638.171 18.815 86.538  5.0849 84.380  8.6619  87.674  6.2812 627.117 32.729 641.773 23.111 -14.65588      40.06593 
1 1 1 11  9  4  o 516.603 18.717 56.708  4.0949 55.552  6.9638  57.319  5.0627 508.522 32.506 518.914 23.038 -10.39148      39.84231 
1 1 1 11  9  5  o 554.813 22.884 65.529  5.3767 66.416  7.5976  64.638  7.6099 556.158 32.398 548.518 32.912 7.639832       46.18301 
1 1 1 11  9  6  o 341.921 24.124 25.033  3.4708 0.0000  0.0000  25.033  3.4708 ?       ?      341.921 24.124 0.000000       24.12423 
1 1 1 11  9  7  o 405.471 24.032 35.174  4.1081 31.466  5.6515  39.329  5.9822 381.061 35.426 426.879 33.356 -45.81860      48.65857 
1 1 1 11  9  8  o 381.002 24.806 31.125  3.9807 27.360  5.4801  35.331  5.7920 354.314 37.071 403.879 34.184 -49.56531      50.42636 
1 1 1 11  9  9  o 673.490 19.490 96.617  5.5588 84.145  9.3737  103.382 6.9037 623.246 35.663 695.754 23.430 -72.50848      42.67099 
1 1 1 11  9  10 o 607.958 19.398 78.781  4.9942 71.606  8.4994  82.565  6.1722 574.331 35.113 621.445 23.453 -47.11426      42.22533 
1 1 1 11  9  11 o 343.901 20.318 25.329  2.9459 27.062  5.0749  24.448  3.6179 351.896 34.498 336.736 25.561 15.15994       42.93541 
1 1 1 11  9  12 o 338.505 20.313 24.558  2.8985 22.376  4.9349  25.707  3.5813 318.494 37.294 345.398 24.645 -26.90402      44.70151 
1 1 1 11  9  13 o 310.968 25.984 20.939  3.3905 20.913  4.6972  20.966  4.8989 307.433 36.810 307.218 38.499 0.2144775      53.26527 
1 1 1 11  9  14 o 478.561 34.783 50.367  7.0011 0.0000  0.0000  50.367  7.0011 ?       ?      478.561 34.783 0.000000       34.78275 
1 1 1 11  9  15 o 545.540 19.792 63.795  4.5726 61.512  7.8314  64.976  5.6324 527.722 35.245 548.902 24.230 -21.17944      42.77021 
1 1 1 11  9  16 o 233.613 23.097 11.870  2.2551 11.620  3.8983  11.996  2.7646 224.408 42.577 233.254 28.586 -8.846436      51.28325 
1 1 1 11  9  17 o 279.725 22.014 16.977  2.5867 18.703  4.4457  16.093  3.1805 287.520 37.397 270.230 28.207 17.29001       46.84194 
1 1 1 11  9  18 o 228.351 23.038 11.397  2.1975 8.9893  3.7404  12.665  2.7155 193.934 46.202 239.413 27.270 -45.47868      53.64905 
1 1 1 11  9  19 o 284.219 28.023 17.833  3.3290 16.774  4.6387  18.957  4.7803 268.926 42.113 287.109 40.436 -18.18307      58.38306 
1 1 1 11  10 0  o 332.183 23.339 23.602  3.2624 25.216  4.4476  21.722  4.7998 342.134 31.034 316.242 36.510 25.89203       47.91797 
1 1 1 11  10 1  o 332.880 19.542 23.632  2.7428 23.726  4.6035  23.580  3.4152 331.333 33.257 331.843 24.475 -0.5101929     41.29201 
1 1 1 11  10 2  o 548.440 18.695 63.912  4.3421 57.823  7.2791  67.276  5.4100 518.672 33.316 562.220 22.722 -43.54773      40.32631 
1 1 1 11  10 3  o 482.072 18.703 49.381  3.8182 51.402  6.5511  48.341  4.6988 489.221 31.793 476.511 23.284 12.70953       39.40764 
1 1 1 11  10 4  o 411.018 19.164 35.905  3.3357 34.495  5.6371  36.664  4.1380 399.971 33.591 414.272 23.685 -14.30011      41.10162 
1 1 1 11  10 5  o 813.062 23.512 140.790 8.0957 133.096 11.342  148.781 11.559 788.061 33.986 833.560 32.744 -45.49933      47.19318 
1 1 1 11  10 6  o 404.119 23.629 34.914  4.0262 0.0000  0.0000  34.914  4.0262 ?       ?      404.119 23.629 0.000000       23.62856 
1 1 1 11  10 7  o 474.698 23.560 48.047  4.7363 40.345  6.5080  56.718  6.9059 431.605 35.932 513.328 31.926 -81.72275      48.06628 
1 1 1 11  10 8  o 451.115 24.310 43.579  4.6271 34.994  6.2982  53.645  6.8203 400.856 37.538 498.576 32.479 -97.71979      49.63868 
1 1 1 11  10 9  o 146.931 31.300 4.8152  1.8880 -0.3142 3.0065  8.1548  2.4259 94.170  40.814 192.479 30.800 -98.30932      51.13125 
1 1 1 11  10 10 o 600.038 19.515 76.765  4.9590 77.791  8.4122  76.219  6.1392 599.256 33.279 596.775 24.292 2.480652       41.20155 
1 1 1 11  10 11 o 351.533 20.557 26.474  3.0471 28.403  5.2349  25.486  3.7473 360.406 34.728 343.701 25.936 16.70471       43.34393 
1 1 1 11  10 12 o 252.467 28.645 13.901  3.0084 15.146  4.2239  12.618  4.2860 260.467 39.534 235.671 44.577 24.79614       59.58232 
1 1 1 11  10 13 o 361.690 20.166 28.059  3.0766 20.909  5.2127  31.881  3.8111 305.533 41.349 384.754 23.503 -79.22165      47.56187 
1 1 1 11  10 14 o 147.754 44.554 4.9624  3.0196 0.0000  0.0000  4.9624  3.0196 ?       ?      147.754 44.554 0.000000       44.55430 
1 1 1 11  10 15 o 612.314 19.808 80.386  5.1364 78.731  8.8184  81.237  6.3189 597.252 35.018 613.617 24.317 -16.36517      42.63272 
1 1 1 11  10 16 o 170.075 26.024 6.4003  1.8148 6.1643  3.2330  6.5089  2.1928 162.376 45.300 169.946 31.632 -7.569519      55.25097 
1 1 1 11  10 17 o 220.653 24.036 10.661  2.2097 7.9142  3.9125  11.948  2.6776 181.479 49.526 232.518 27.740 -51.03929      56.76591 
1 1 1 11  10 18 o 234.174 23.478 11.997  2.2969 15.843  4.1582  10.309  2.7555 263.034 38.466 214.206 31.299 48.82748       49.59084 
1 1 1 11  11 0  o 304.739 19.369 19.816  2.4866 24.720  4.1756  17.121  3.0954 338.987 29.377 282.208 26.199 56.77902       39.36227 
1 1 1 11  11 1  o 363.514 19.125 28.160  2.9338 18.511  4.7614  34.066  3.7250 290.820 39.697 399.520 22.102 -108.7004      45.43538 
1 1 1 11  11 2  o 436.549 18.932 40.500  3.5000 41.954  5.8312  39.682  4.3759 441.842 31.368 430.973 24.072 10.86868       39.53993 
1 1 1 11  11 3  o 221.488 22.658 10.549  2.0953 14.150  3.6010  8.7059  2.5764 254.791 34.239 199.391 31.563 55.39995       46.56757 
1 1 1 11  11 4  f 542.779 18.861 62.612  4.3354 59.950  7.3341  64.043  5.3750 528.132 32.956 548.433 23.143 -20.30170      40.26993 
1 1 1 11  11 5  o 366.570 23.286 28.733  3.5961 28.678  5.1059  28.787  5.0657 364.341 33.466 365.110 33.123 -0.7682800     47.08585 
1 1 1 11  11 6  o 513.002 23.668 56.090  5.1419 0.0000  0.0000  56.090  5.1419 ?       ?      513.002 23.668 0.000000       23.66780 
1 1 1 11  11 7  o 441.066 23.980 41.624  4.4624 44.268  6.2396  38.857  6.3845 452.914 32.752 423.346 35.951 29.56802       48.63304 
1 1 1 11  11 8  o 282.711 27.228 17.264  3.2196 14.245  4.3712  20.845  4.7600 252.855 42.317 308.494 37.184 -55.63940      56.33239 
1 1 1 11  11 9  o 250.927 22.617 13.554  2.3776 11.955  3.9639  14.452  2.9715 230.877 42.092 258.185 27.604 -27.30780      50.33662 
1 1 1 11  11 10 o 196.249 25.936 8.3956  2.1027 10.058  3.4670  7.4285  2.6447 211.531 40.171 182.202 35.551 29.32918       53.64310 
1 1 1 11  11 11 o 328.029 20.755 23.074  2.8684 19.727  4.8180  24.912  3.5701 298.318 39.076 339.962 24.972 -41.64371      46.37417 
1 1 1 11  11 12 o 126.827 36.674 3.5877  2.0814 1.7218  2.7788  5.9723  3.1414 108.493 42.164 161.799 44.471 -53.30592      61.28211 
1 1 1 11  11 13 o 263.078 27.622 15.092  3.0314 0.0000  0.0000  15.092  3.0314 ?       ?      263.078 27.622 0.000000       27.62164 
1 1 1 11  11 14 o 168.370 32.034 6.3752  2.2007 6.1979  3.2142  6.5317  3.0193 163.483 45.003 167.992 42.429 -4.509125      61.85070 
1 1 1 11  11 15 o 246.011 22.369 13.126  2.3050 17.241  3.9443  10.991  2.8405 278.255 34.192 222.449 30.994 55.80562       46.14884 
1 1 1 11  11 16 o 307.942 20.923 20.480  2.7123 13.479  4.6005  24.210  3.3581 239.725 46.995 333.974 23.901 -94.24850      52.72396 
1 1 1 11  11 17 o 113.604 37.709 2.7983  2.1177 2.7683  2.8435  2.8357  3.1734 118.645 43.392 122.122 45.626 -3.477402      62.96494 
1 1 1 11  11 18 o 169.710 26.565 6.4223  1.8466 8.5244  3.2258  5.3977  2.2522 190.530 41.180 152.673 35.504 37.85719       54.37233 
1 1 1 11  12 0  o 313.607 19.301 20.982  2.5510 22.687  4.1560  19.952  3.2313 324.382 30.616 304.947 25.248 19.43527       39.68353 
1 1 1 11  12 1  o 401.964 18.683 34.335  3.1804 27.783  5.2195  38.205  4.0109 358.376 34.831 423.084 22.466 -64.70721      41.44820 
1 1 1 11  12 2  o 603.594 18.469 77.416  4.7209 74.598  7.9029  78.979  5.8867 589.656 31.765 609.095 22.821 -19.43939      39.11307 
1 1 1 11  12 3  o 621.932 18.711 82.201  4.9281 81.630  8.2669  82.516  6.1379 616.878 31.752 622.503 23.283 -5.625244      39.37386 
1 1 1 11  12 4  o 478.912 23.161 48.843  4.6973 47.747  6.5017  50.039  6.7939 471.066 32.796 482.136 33.482 -11.06979      46.86791 
1 1 1 11  12 5  o 689.542 33.143 101.918 9.6783 0.0000  0.0000  101.918 9.6783 ?       ?      689.542 33.143 0.000000       33.14310 
1 1 1 11  12 6  o 429.097 24.427 39.398  4.4205 0.0000  0.0000  39.398  4.4205 ?       ?      429.097 24.427 0.000000       24.42729 
1 1 1 11  12 7  o 229.385 22.739 11.329  2.1798 11.425  3.7451  11.280  2.6806 226.512 40.530 227.836 28.399 -1.323685      49.48912 
1 1 1 11  12 8  o 554.075 23.416 65.566  5.4943 63.024  7.6575  68.263  7.8879 539.783 33.666 561.977 33.292 -22.19330      47.34756 
1 1 1 11  12 9  o 238.817 22.588 12.291  2.2573 13.146  3.8245  11.833  2.7963 243.304 38.391 232.973 28.968 10.33038       48.09359 
1 1 1 11  12 10 o 403.216 24.210 34.940  4.1150 34.236  5.7513  35.678  5.8902 396.093 34.635 404.376 34.732 -8.283112      49.04990 
1 1 1 11  12 11 o 257.093 22.727 14.254  2.4489 9.6549  4.0995  16.806  3.0537 204.761 48.095 278.548 26.195 -73.78648      54.76552 
1 1 1 11  12 12 o 183.027 32.300 7.4628  2.4121 6.2042  3.1991  9.1208  3.6719 164.640 44.723 199.402 44.600 -34.76166      63.16053 
1 1 1 11  12 13 o 450.996 35.699 44.783  6.7625 0.0000  0.0000  44.783  6.7625 ?       ?      450.996 35.699 0.000000       35.69866 
1 1 1 11  12 14 o 224.287 23.318 10.942  2.1824 9.8469  3.6243  11.565  2.7336 206.475 42.852 229.110 28.811 -22.63446      51.63702 
1 1 1 11  12 15 o 158.081 27.697 5.5729  1.7866 4.4981  3.0205  6.1514  2.2158 141.300 44.899 164.828 32.896 -23.52821      55.66031 
1 1 1 11  12 16 o 128.005 30.207 3.7226  1.6111 2.6954  2.8694  4.1956  1.9469 118.496 43.551 135.347 34.009 -16.85058      55.25648 
1 1 1 11  12 17 o 170.149 27.467 6.4689  1.9118 2.3721  3.2404  8.6564  2.3678 117.896 45.612 196.743 29.314 -78.84700      54.21904 
1 1 1 11  12 18 o 290.855 21.620 18.378  2.6439 21.097  4.5138  16.958  3.2622 305.493 35.554 276.870 28.216 28.62332       45.39017 
1 1 1 11  13 0  o 476.717 18.161 48.287  3.6665 48.881  6.0626  47.944  4.6039 477.284 30.149 474.540 22.909 2.743286       37.86557 
1 1 1 11  13 1  o 172.587 24.020 6.4651  1.7080 5.1304  2.7094  7.3453  2.2003 151.799 41.125 183.197 29.352 -31.39799      50.52563 
1 1 1 11  13 2  f 105.854 30.620 2.4460  1.4507 2.5826  2.3863  2.3660  1.8271 115.283 40.004 107.049 35.002 8.233490       53.15536 
1 1 1 11  13 3  o 745.411 18.881 118.101 5.9603 129.624 10.079  111.903 7.3912 778.545 30.569 724.731 24.082 53.81390       38.91510 
1 1 1 11  13 4  o 420.163 22.888 37.706  4.0572 38.672  5.6263  36.659  5.8560 423.905 31.567 412.161 33.849 11.74380       46.28424 
1 1 1 11  13 5  o 289.513 38.092 18.343  4.5570 0.0000  0.0000  18.343  4.5570 ?       ?      289.513 38.092 0.000000       38.09222 
1 1 1 11  13 6  o 305.679 24.889 20.074  3.1939 16.928  4.3747  23.664  4.6739 277.674 38.215 330.183 33.907 -52.50873      51.08920 
1 1 1 11  13 7  f 346.080 20.305 25.601  2.9630 20.464  4.8847  28.591  3.7269 305.284 38.648 365.100 24.242 -59.81567      45.62180 
1 1 1 11  13 8  o 608.795 23.227 79.181  5.9883 75.628  8.3663  82.913  8.5751 591.246 33.552 619.435 32.806 -28.18884      46.92498 
1 1 1 11  13 9  o 174.761 26.331 6.6897  1.8883 4.0647  3.2350  8.0462  2.3255 139.172 46.617 191.250 29.675 -52.07748      55.26065 
1 1 1 11  13 10 o 235.142 28.205 12.057  2.7526 8.3919  3.8570  15.861  3.9296 191.102 47.785 268.162 35.473 -77.06062      59.51234 
1 1 1 11  13 11 o 246.347 22.750 13.101  2.3466 15.975  3.9245  11.501  2.9277 268.953 35.309 228.732 31.025 40.22072       47.00269 
1 1 1 11  13 12 o 249.467 27.984 13.583  2.9054 14.400  3.9814  12.653  4.2494 253.843 38.222 235.606 44.213 18.23721       58.44406 
1 1 1 11  13 13 o 642.460 35.079 90.658  9.5080 0.0000  0.0000  90.658  9.5080 ?       ?      642.460 35.079 0.000000       35.07899 
1 1 1 11  13 14 o 109.414 33.233 2.6497  1.6755 -3.2667 2.7637  6.0881  2.1069 70.922  33.724 164.452 31.397 -93.53022      46.07718 
1 1 1 11  13 15 o 234.145 23.289 11.933  2.2786 7.5011  3.7643  14.496  2.8627 178.088 48.570 257.270 26.662 -79.18222      55.40671 
1 1 1 11  13 16 o 234.234 22.888 11.957  2.2414 13.481  3.9089  11.210  2.7359 242.638 39.392 224.652 29.467 17.98595       49.19432 
1 1 1 11  13 17 o 192.633 31.548 8.3803  2.4845 5.1398  3.3062  12.584  3.7657 148.402 46.955 233.406 39.506 -85.00446      61.36390 
1 1 1 11  13 18 o 321.725 21.107 22.445  2.8598 18.660  4.6931  24.681  3.6067 284.627 40.043 335.627 25.568 -51.00009      47.50917 
1 1 1 11  14 0  o 464.212 17.882 45.785  3.5154 43.589  5.7493  47.097  4.4426 450.517 30.311 470.369 22.303 -19.85175      37.63171 
1 1 1 11  14 1  o 542.005 18.100 62.422  4.1545 61.728  6.8696  62.823  5.2166 536.454 30.363 543.202 22.677 -6.747803      37.89643 
1 1 1 11  14 2  o 606.028 18.336 78.049  4.7058 76.778  7.8170  78.772  5.8932 598.305 30.957 608.216 22.880 -9.911194      38.49468 
1 1 1 11  14 3  o 719.362 18.686 109.995 5.6927 108.363 9.5104  110.906 7.1064 711.490 31.563 721.580 23.255 -10.09021      39.20540 
1 1 1 11  14 4  o 449.809 22.751 43.205  4.3197 44.129  5.9157  42.149  6.3225 452.993 31.024 441.971 34.042 11.02185       46.05755 
1 1 1 11  14 5  o 730.658 33.588 114.624 10.393 0.0000  0.0000  114.624 10.393 ?       ?      730.658 33.588 0.000000       33.58794 
1 1 1 11  14 6  o 97.963  35.016 1.7716  1.8383 1.9433  2.4235  1.5390  2.8213 107.364 39.919 107.934 42.335 -0.5699158     58.18740 
1 1 1 11  14 7  o 365.837 20.213 28.605  3.1195 30.867  5.4413  27.498  3.8073 376.844 34.478 357.718 25.295 19.12643       42.76170 
1 1 1 11  14 8  o 415.327 19.640 36.771  3.4545 45.269  5.9206  32.384  4.2536 457.646 30.727 387.946 26.042 69.69904       40.27773 
1 1 1 11  14 9  o 208.575 23.821 9.4290  2.0664 11.231  3.5345  8.4930  2.5470 224.199 38.620 196.023 31.769 28.17540       50.00760 
1 1 1 11  14 10 o 356.611 20.058 27.238  3.0169 25.772  5.1638  27.998  3.7173 342.479 36.150 360.571 24.489 -18.09140      43.66362 
1 1 1 11  14 11 o 276.886 21.648 16.502  2.5183 16.283  4.3343  16.613  3.0941 270.237 39.002 276.655 26.742 -6.418182      47.28976 
1 1 1 11  14 12 o 218.229 29.561 10.480  2.6616 6.8492  3.6201  14.752  3.9268 172.192 47.898 257.153 37.134 -84.96062      60.60674 
1 1 1 11  14 13 o 147.966 47.204 4.9170  3.3360 0.0000  0.0000  4.9170  3.3360 ?       ?      147.966 47.204 0.000000       47.20354 
1 1 1 11  14 14 o 304.049 21.450 19.968  2.7442 15.234  4.5187  22.734  3.4541 257.620 42.929 323.276 25.435 -65.65689      49.89835 
1 1 1 11  14 15 o 434.045 20.096 40.459  3.6939 38.030  6.1934  41.800  4.6020 413.272 35.739 438.897 24.862 -25.62491      43.53629 
1 1 1 11  14 16 o 145.355 32.242 4.8281  1.9327 1.5320  3.0245  7.1030  2.5127 107.821 43.323 176.163 34.915 -68.34173      55.64137 
1 1 1 11  14 17 o 288.108 26.872 18.283  3.2408 16.908  4.4432  19.846  4.7373 270.837 39.938 294.312 38.967 -23.47556      55.79810 
1 1 1 11  14 18 o 359.506 20.852 27.995  3.1611 28.242  5.4298  27.869  3.8878 352.914 36.875 356.527 25.927 -3.612885      45.07727 
1 1 1 11  15 0  o 404.462 18.108 34.763  3.1017 29.592  4.9693  38.064  3.9700 370.440 31.990 422.262 22.279 -51.82172      38.98400 
1 1 1 11  15 1  o 260.755 19.566 14.538  2.1449 12.195  3.4584  16.003  2.7343 235.791 35.756 273.033 23.888 -37.24164      43.00129 
1 1 1 11  15 2  f 502.106 18.149 53.578  3.8592 54.927  6.3666  52.795  4.8523 505.966 29.845 497.872 23.014 8.093140       37.68757 
1 1 1 11  15 3  o 689.489 22.216 101.230 6.4870 107.572 8.9612  94.249  9.4026 709.161 29.839 662.070 33.646 47.09027       44.97090 
1 1 1 11  15 4  o 237.029 21.275 12.056  2.1129 12.101  3.5041  12.030  2.6485 234.549 36.462 235.825 27.006 -1.276825      45.37428 
1 1 1 11  15 5  o 247.621 38.960 13.544  3.9506 0.0000  0.0000  13.544  3.9506 ?       ?      247.621 38.960 0.000000       38.95996 
1 1 1 11  15 6  o 621.307 23.128 82.385  6.0855 89.641  8.5231  74.840  8.6917 646.027 31.153 588.199 35.052 57.82788       46.89532 
1 1 1 11  15 7  o 491.395 19.053 51.437  3.9649 60.097  6.8021  46.981  4.8796 527.835 30.561 468.042 24.706 59.79330       39.29776 
1 1 1 11  15 8  o 393.547 19.966 33.118  3.3166 37.734  5.7287  30.791  4.0677 416.859 32.713 378.241 25.544 38.61804       41.50496 
1 1 1 11  15 9  o 499.198 23.873 53.373  5.0468 51.104  6.9922  55.841  7.2916 484.425 34.305 506.525 34.192 -22.10046      48.43544 
1 1 1 11  15 10 f 393.513 19.917 33.154  3.3083 29.562  5.5504  35.134  4.1202 366.831 36.200 404.083 24.188 -37.25156      43.53771 
1 1 1 11  15 11 o 213.898 29.545 10.060  2.6048 10.608  3.6519  9.4925  3.7166 216.275 41.379 203.467 44.382 12.80881       60.67942 
1 1 1 11  15 12 o 629.892 24.213 85.329  6.4589 0.0000  0.0000  85.329  6.4589 ?       ?      629.892 24.213 0.000000       24.21292 
1 1 1 11  15 13 o 217.489 45.216 10.991  4.0288 0.0000  0.0000  10.991  4.0288 ?       ?      217.489 45.216 0.000000       45.21629 
1 1 1 11  15 14 o 191.035 26.107 8.0419  2.0568 4.7068  3.3254  10.108  2.6177 144.778 47.215 213.430 29.772 -68.65143      55.81744 
1 1 1 11  15 15 o 413.106 20.293 36.680  3.5503 37.225  5.9975  36.386  4.4050 408.953 34.966 408.932 25.564 0.2056885E-01  43.31480 
1 1 1 11  15 16 o 331.119 21.317 23.751  2.9733 28.302  5.0189  21.290  3.6906 355.831 33.708 310.721 28.359 45.10995       44.05088 
1 1 1 11  15 17 o 320.833 21.612 22.354  2.9193 20.027  4.9150  23.623  3.6286 294.612 40.462 327.893 26.354 -33.28052      48.28810 
1 1 1 11  15 18 o 301.456 26.711 20.010  3.3747 18.938  4.6123  21.245  4.9508 287.209 38.923 304.177 39.356 -16.96713      55.35261 
1 1 1 11  16 0  o 721.120 18.155 110.516 5.5443 115.698 9.1453  107.505 6.9714 735.657 29.355 710.409 23.172 25.24872       37.39871 
1 1 1 11  16 1  o 544.796 17.866 63.073  4.1220 58.778  6.7670  65.606  5.1975 523.232 30.673 555.100 22.110 -31.86798      37.81140 
1 1 1 11  16 2  o 451.149 18.117 43.261  3.4615 39.706  5.6992  45.338  4.3572 429.460 31.557 461.409 22.299 -31.94925      38.64042 
1 1 1 11  16 3  o 717.180 22.311 109.561 6.7763 100.414 9.2444  120.183 9.9620 684.474 31.892 748.962 31.408 -64.48724      44.76107 
1 1 1 11  16 4  o 199.872 29.962 8.7391  2.4580 0.0000  0.0000  8.7391  2.4580 ?       ?      199.872 29.962 0.000000       29.96208 
1 1 1 11  16 5  o 158.442 43.651 5.6305  3.0226 0.0000  0.0000  5.6305  3.0226 ?       ?      158.442 43.651 0.000000       43.65140 
1 1 1 11  16 6  o 211.440 23.734 9.6674  2.0885 3.8062  3.6129  12.609  2.5595 139.296 49.163 241.503 25.407 -102.2073      55.34055 
1 1 1 11  16 7  o 509.944 18.923 55.410  4.0865 50.409  6.9808  58.018  5.0404 481.754 34.444 521.058 22.842 -39.30460      41.32943 
1 1 1 11  16 8  o 462.488 19.112 45.612  3.7434 54.763  6.4447  40.953  4.5986 503.202 30.385 436.457 24.983 66.74469       39.33716 
1 1 1 11  16 9  o 362.567 24.683 28.317  3.7674 25.966  5.2274  30.859  5.4343 343.632 36.479 375.589 34.553 -31.95706      50.24571 
1 1 1 11  16 10 o 126.177 32.870 3.5797  1.7740 1.8979  2.9828  4.5002  2.2067 112.705 43.717 141.061 36.618 -28.35639      57.02689 
1 1 1 11  16 11 o 218.979 28.991 10.532  2.6224 12.098  3.8076  9.1195  3.6169 231.460 40.310 199.236 44.038 32.22397       59.70139 
1 1 1 11  16 12 o 166.403 34.577 6.2701  2.3570 0.0000  0.0000  6.2701  2.3570 ?       ?      166.403 34.577 0.000000       34.57673 
1 1 1 11  16 13 o 327.729 20.766 23.153  2.8672 20.001  4.8496  24.848  3.5551 297.637 39.447 338.234 24.996 -40.59650      46.69987 
1 1 1 11  16 14 o 192.193 25.729 8.1340  2.0415 5.4163  3.2548  9.8967  2.6213 152.962 46.287 210.915 30.210 -57.95323      55.27348 
1 1 1 11  16 15 o 588.351 19.813 74.399  4.9368 71.661  8.3722  75.859  6.1125 567.656 34.997 591.842 24.388 -24.18542      42.65613 
1 1 1 11  16 16 o 294.828 21.851 18.888  2.7088 16.405  4.4985  20.300  3.3929 266.159 41.245 303.873 26.635 -37.71329      49.09715 
1 1 1 11  16 17 o 173.426 27.572 6.7381  1.9572 8.6190  3.4392  5.8372  2.3802 190.179 43.630 158.373 36.270 31.80589       56.73637 
1 1 1 11  17 0  o 659.722 21.687 92.658  6.0591 87.393  8.2828  98.719  8.8869 638.998 30.608 679.074 30.902 -40.07538      43.49464 
1 1 1 11  17 1  o 841.372 18.597 150.503 6.6263 156.608 10.986  147.012 8.3076 855.411 30.326 830.530 23.620 24.88098       38.43929 
1 1 1 11  17 2  o 460.001 21.832 45.063  4.2531 44.029  5.7807  46.284  6.2798 452.507 30.341 463.565 32.188 -11.05829      44.23378 
1 1 1 11  17 3  o 419.224 18.465 37.376  3.2782 34.450  5.3501  39.135  4.1480 399.547 31.885 427.862 22.977 -28.31546      39.30077 
1 1 1 11  17 4  o 492.127 23.223 51.666  4.8398 0.0000  0.0000  51.666  4.8398 ?       ?      492.127 23.223 0.000000       23.22259 
1 1 1 11  17 5  o 530.204 33.050 60.744  7.3839 0.0000  0.0000  60.744  7.3839 ?       ?      530.204 33.050 0.000000       33.04953 
1 1 1 11  17 6  o 185.609 25.049 7.5014  1.9187 3.2269  3.2047  9.8896  2.3955 129.661 46.245 213.129 27.157 -83.46886      53.62930 
1 1 1 11  17 7  o 521.578 18.761 57.983  4.1439 58.250  7.0160  57.841  5.1353 518.579 32.105 520.010 23.319 -1.430908      39.67997 
1 1 1 11  17 8  o 131.931 31.631 3.9080  1.7444 8.1549  3.0018  1.7427  2.1434 190.171 38.592 100.943 37.540 89.22797       53.83822 
1 1 1 11  17 9  o 193.451 31.488 8.2913  2.4909 5.1410  3.3437  12.220  3.7340 151.863 47.097 233.465 39.152 -81.60146      61.24560 
1 1 1 11  17 10 o 317.794 20.428 21.682  2.7347 21.632  4.7190  21.707  3.3557 312.908 36.285 316.852 25.217 -3.944092      44.18702 
1 1 1 11  17 11 o 182.076 32.464 7.4123  2.4114 10.058  3.5106  5.0489  3.3181 210.162 40.916 150.018 46.981 60.14404       62.30022 
1 1 1 11  17 12 o 230.938 42.064 12.213  3.9623 0.0000  0.0000  12.213  3.9623 ?       ?      230.938 42.064 0.000000       42.06422 
1 1 1 11  17 13 o 149.738 29.476 5.0464  1.8026 -0.3458 2.9064  8.4175  2.2980 90.942  39.761 194.729 28.730 -103.7864      49.05457 
1 1 1 11  17 14 f 262.022 22.365 14.902  2.4579 13.320  4.0909  15.796  3.0747 240.520 41.672 268.207 27.457 -27.68654      49.90466 
1 1 1 11  17 15 o 229.055 23.591 11.471  2.2557 9.9937  3.7556  12.305  2.8212 205.821 44.392 235.536 28.889 -29.71480      52.96461 
1 1 1 11  17 16 f 496.912 19.768 53.220  4.1599 47.922  7.0229  56.083  5.1631 460.880 36.275 507.992 24.000 -47.11221      43.49554 
1 1 1 11  17 17 o 257.450 23.102 14.496  2.4920 10.545  3.9898  17.023  3.1909 209.416 46.226 277.377 27.528 -67.96129      53.80159 
1 1 1 11  18 0  o 568.531 21.609 68.825  5.2028 71.726  7.0852  65.430  7.6646 579.120 28.889 551.348 32.978 27.77209       43.84198 
1 1 1 11  18 1  o 485.118 21.786 50.123  4.4758 55.657  6.1690  43.971  6.5038 509.329 28.717 451.202 34.294 58.12723       44.72982 
1 1 1 11  18 2  o 283.856 32.707 17.514  3.8598 17.514  3.8598  0.0000  0.0000 283.856 32.707 ?       ?      0.000000       32.70658 
1 1 1 11  18 3  o 668.362 22.828 95.267  6.4612 0.0000  0.0000  95.267  6.4612 ?       ?      668.362 22.828 0.000000       22.82763 
1 1 1 11  18 4  o 815.297 18.712 141.490 6.4608 127.876 10.626  149.475 8.1379 771.004 32.543 836.880 22.962 -65.87573      39.82812 
1 1 1 11  18 5  o 562.644 33.524 68.507  7.9518 0.0000  0.0000  68.507  7.9518 ?       ?      562.644 33.524 0.000000       33.52445 
1 1 1 11  18 6  o 343.112 19.525 25.181  2.8253 23.269  4.7464  26.230  3.5160 326.160 34.904 349.349 23.909 -23.18881      42.30816 
1 1 1 11  18 7  f 424.480 18.957 38.426  3.4078 29.672  5.6574  43.411  4.2691 367.720 36.824 450.545 22.375 -82.82513      43.08896 
1 1 1 11  18 8  o 111.595 32.089 2.7588  1.5975 -1.1523 2.8958  4.4699  1.9154 85.964  38.519 140.946 32.719 -54.98117      50.53912 
1 1 1 11  18 9  o 255.446 27.177 14.202  2.8949 15.554  4.1400  12.907  4.0494 264.217 38.101 239.152 41.487 25.06508       56.32808 
1 1 1 11  18 10 o 204.620 29.979 9.2409  2.5208 6.8245  3.5283  11.760  3.6027 171.979 47.072 228.686 38.572 -56.70688      60.85709 
1 1 1 11  18 11 o 203.969 25.004 9.0900  2.1146 9.6384  3.6911  8.8221  2.5800 204.375 43.952 199.089 31.660 5.286530       54.16779 
1 1 1 11  18 12 o 481.202 34.867 51.207  7.0572 0.0000  0.0000  51.207  7.0572 ?       ?      481.202 34.867 0.000000       34.86726 
1 1 1 11  18 13 o 237.160 23.667 12.260  2.3453 16.809  4.1955  10.192  2.8285 272.955 37.269 213.331 32.320 59.62386       49.33120 
1 1 1 11  18 14 o 634.380 19.597 86.450  5.2649 83.133  8.9657  88.197  6.5045 611.937 34.740 638.445 24.057 -26.50824      42.25656 
1 1 1 11  18 15 o 251.779 23.435 13.849  2.4701 14.573  4.2076  13.468  3.0513 250.874 41.022 245.923 29.914 4.950226       50.77071 
1 1 1 11  18 16 o 159.467 29.115 5.7549  1.8938 3.3737  3.2233  7.0102  2.3403 127.364 46.257 175.090 32.766 -47.72659      56.68621 
1 1 1 11  18 17 o 196.983 26.532 8.6300  2.1570 8.1737  3.5861  8.8886  2.7000 183.889 46.129 197.306 33.512 -13.41704      57.01707 
1 1 1 11  19 0  f 533.290 21.240 60.563  4.7968 61.728  6.5815  59.243  7.0057 536.303 29.087 524.712 31.676 11.59131       43.00495 
1 1 1 11  19 1  o 385.619 30.585 32.065  4.9537 32.065  4.9537  0.0000  0.0000 385.619 30.585 ?       ?      0.000000       30.58474 
1 1 1 11  19 2  o 101.997 35.068 2.0495  1.8316 2.4724  2.5690  1.6122  2.6122 115.386 41.378 105.966 40.965 9.419823       58.22612 
1 1 1 11  19 3  o 380.212 33.629 31.358  5.3590 0.0000  0.0000  31.358  5.3590 ?       ?      380.212 33.629 0.000000       33.62911 
1 1 1 11  19 4  o 475.666 30.369 48.820  6.0856 48.820  6.0856  0.0000  0.0000 475.666 30.369 ?       ?      0.000000       30.36884 
1 1 1 11  19 5  o 469.936 18.588 47.052  3.6993 47.235  6.1688  46.949  4.6228 467.207 31.360 468.599 23.295 -1.392181      39.06507 
1 1 1 11  19 6  o 824.036 19.013 144.797 6.6348 135.274 11.019  150.212 8.3100 790.973 32.896 837.787 23.422 -46.81348      40.38279 
1 1 1 11  19 7  o 506.980 18.775 54.831  4.0310 61.677  6.8659  51.230  4.9796 533.649 30.507 488.889 24.052 44.76013       38.84803 
1 1 1 11  19 8  o 412.821 19.015 36.382  3.3243 31.694  5.6389  38.880  4.1156 379.993 35.450 425.374 22.931 -45.38107      42.22025 
1 1 1 11  19 9  o 212.939 28.664 9.9558  2.5192 14.979  3.6558  5.4138  3.4763 260.362 33.965 155.163 48.006 105.1994       58.80637 
1 1 1 11  19 10 o 91.420  35.020 1.2896  1.8968 2.7619  2.7759  -0.0000 2.5980 119.541 42.997 89.272  38.310 30.26833       57.58801 
1 1 1 11  19 11 o 251.290 26.844 13.807  2.8125 0.0000  0.0000  13.807  2.8125 ?       ?      251.290 26.844 0.000000       26.84353 
1 1 1 11  19 12 o 586.067 23.804 74.157  5.9081 80.541  8.2052  67.284  8.5139 605.250 32.127 549.908 36.771 55.34167       48.82869 
1 1 1 11  19 13 o 541.843 19.440 63.032  4.4608 57.397  7.5320  66.077  5.5361 508.106 35.221 552.960 23.641 -44.85394      42.41969 
1 1 1 11  19 14 o 201.970 24.132 8.9532  2.0232 7.7110  3.3566  9.6620  2.5356 180.587 44.239 208.166 29.596 -27.57938      53.22608 
1 1 1 11  19 15 o 334.524 20.926 24.255  2.9497 21.676  4.8735  25.747  3.7055 308.046 38.176 342.711 25.719 -34.66583      46.03104 
1 1 1 11  19 16 o 486.570 20.006 51.110  4.1224 50.208  7.0485  51.578  5.0823 471.525 35.559 485.742 24.789 -14.21671      43.34716 
1 1 1 11  19 17 o 300.000 26.610 19.852  3.3456 15.682  4.6155  24.469  4.8566 257.687 43.866 328.455 35.478 -70.76810      56.41752 
1 1 1 11  20 0  o 381.820 21.569 31.161  3.4734 33.155  4.7473  28.864  5.0955 392.495 28.761 365.022 33.331 27.47226       44.02406 
1 1 1 11  20 1  o 460.328 29.673 45.611  5.7538 45.611  5.7538  0.0000  0.0000 460.328 29.673 ?       ?      0.000000       29.67295 
1 1 1 11  20 2  o 64.206  29.515 -1.3510 1.8393 0.0000  0.0000  -1.3510 1.8393 ?       ?      64.206  29.515 0.000000       29.51480 
1 1 1 11  20 3  o 536.793 22.124 61.503  5.0294 66.604  6.9108  55.760  7.3334 556.159 29.447 507.185 34.345 48.97473       45.24014 
1 1 1 11  20 4  o 460.377 31.071 45.845  6.0223 45.845  6.0223  0.0000  0.0000 460.377 31.071 ?       ?      0.000000       31.07085 
1 1 1 11  20 5  o 675.017 22.454 97.422  6.4187 95.937  8.7738  99.131  9.4149 666.918 31.065 677.207 32.828 -10.28857      45.19669 
1 1 1 11  20 6  o 223.358 27.974 10.895  2.5881 10.516  3.5483  11.325  3.7831 216.056 40.261 224.076 41.392 -8.019531      57.74284 
1 1 1 11  20 7  o 371.267 19.430 29.513  3.0444 31.811  5.1164  28.253  3.7879 382.011 31.919 361.955 24.862 20.05603       40.45889 
1 1 1 11  20 8  o 259.135 21.082 14.462  2.2935 20.820  4.0052  11.360  2.7975 308.584 31.071 227.419 29.761 81.16505       43.02498 
1 1 1 11  20 9  o 212.038 39.866 10.192  3.4484 10.192  3.4484  0.0000  0.0000 212.038 39.866 ?       ?      0.000000       39.86595 
1 1 1 11  20 10 o 416.115 23.577 37.356  4.1376 34.952  5.7055  40.023  6.0093 398.421 34.145 426.816 33.515 -28.39487      47.84511 
1 1 1 11  20 11 o 286.230 37.910 18.432  4.4822 0.0000  0.0000  18.432  4.4822 ?       ?      286.230 37.910 0.000000       37.91026 
1 1 1 11  20 12 o 231.643 22.957 11.687  2.2224 16.262  3.9252  9.5278  2.6961 269.111 35.293 206.187 31.907 62.92398       47.57796 
1 1 1 11  20 13 o 229.174 23.645 11.471  2.2619 14.785  3.9836  9.8938  2.7478 254.957 38.060 210.018 31.898 44.93910       49.65914 
1 1 1 11  20 14 o 383.969 19.958 31.827  3.2341 31.215  5.4724  32.156  4.0090 372.948 35.060 383.978 24.787 -11.02948      42.93718 
1 1 1 11  20 15 o 183.367 26.603 7.4960  2.0055 1.0728  3.3421  11.111  2.5072 106.783 44.508 223.752 27.005 -116.9683      52.06014 
1 1 1 11  20 16 f 233.960 23.925 12.034  2.3371 9.5775  4.0560  13.255  2.8595 197.704 48.751 243.974 28.195 -46.26990      56.31758 
1 1 1 11  21 0  o 403.240 29.374 35.046  4.9817 35.046  4.9817  0.0000  0.0000 403.240 29.374 ?       ?      0.000000       29.37436 
1 1 1 11  21 1  o 189.692 40.230 8.0911  3.1316 0.0000  0.0000  8.0911  3.1316 ?       ?      189.692 40.230 0.000000       40.22991 
1 1 1 11  21 2  o 450.370 33.982 44.008  6.4336 0.0000  0.0000  44.008  6.4336 ?       ?      450.370 33.982 0.000000       33.98219 
1 1 1 11  21 3  o 784.620 22.247 131.514 7.3923 120.477 10.032  144.629 10.935 747.600 31.686 819.191 31.521 -71.59131      44.69416 
1 1 1 11  21 4  o 587.066 30.276 74.460  7.5016 74.460  7.5016  0.0000  0.0000 587.066 30.276 ?       ?      0.000000       30.27626 
1 1 1 11  21 5  o 446.175 22.298 42.590  4.2132 40.987  5.7896  44.393  6.1429 434.356 31.693 451.909 32.311 -17.55228      45.26001 
1 1 1 11  21 6  o 443.090 22.672 42.156  4.2400 41.388  5.8593  43.000  6.1433 436.067 31.951 444.162 32.894 -8.095367      45.85738 
1 1 1 11  21 7  o 326.422 24.119 22.993  3.3106 21.477  4.5563  24.688  4.8184 312.163 35.073 335.151 34.438 -22.98798      49.15340 
1 1 1 11  21 8  o 222.997 27.952 10.893  2.5817 10.663  3.5459  11.153  3.7662 216.997 40.062 221.505 41.679 -4.507339      57.81068 
1 1 1 11  21 9  o 467.532 22.790 46.942  4.5124 44.050  6.2211  50.152  6.5548 448.377 32.995 478.792 32.520 -30.41547      46.32718 
1 1 1 11  21 10 o 239.394 26.699 12.545  2.6607 0.0000  0.0000  12.545  2.6607 ?       ?      239.394 26.699 0.000000       26.69923 
1 1 1 11  21 11 o 187.109 30.036 7.8211  2.2995 7.4214  3.1411  8.2826  3.3755 178.370 42.235 188.261 43.248 -9.890472      60.45008 
1 1 1 11  21 12 o 332.488 20.291 23.857  2.8434 19.796  4.7023  26.198  3.5701 295.537 38.484 347.035 24.448 -51.49796      45.59312 
1 1 1 11  21 13 o 354.788 20.186 27.172  3.0204 36.583  5.2978  22.640  3.6765 406.843 30.981 321.169 27.289 85.67401       41.28615 
1 1 1 11  21 14 o 293.350 21.219 18.685  2.6183 16.816  4.3757  19.728  3.2679 270.218 39.397 299.633 26.011 -29.41528      47.20900 
1 1 1 11  21 15 o 208.234 24.828 9.5843  2.1463 13.798  3.7873  7.5907  2.6050 244.446 37.805 181.170 35.222 63.27602       51.66990 
1 1 1 11  21 16 f 514.661 19.844 57.211  4.3251 56.124  7.3056  57.798  5.3667 498.675 34.812 514.567 24.628 -15.89215      42.64268 
1 1 1 11  22 0  f 415.143 21.342 36.858  3.7394 31.820  5.0484  42.983  5.5660 383.376 31.370 446.432 29.608 -63.05624      43.13596 
1 1 1 11  22 1  o 317.175 35.187 22.003  4.6467 0.0000  0.0000  22.003  4.6467 ?       ?      317.175 35.187 0.000000       35.18670 
1 1 1 11  22 2  o 613.172 21.602 80.292  5.6095 77.843  7.5982  83.227  8.3164 601.440 29.831 620.465 31.757 -19.02484      43.57049 
1 1 1 11  22 3  o 181.388 29.715 7.2621  2.2036 8.3474  2.8337  5.6020  3.5047 193.218 35.954 158.226 48.065 34.99225       60.02488 
1 1 1 11  22 4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 11  22 5  o 1009.20 23.691 218.372 10.125 228.412 13.914  207.070 14.762 1026.90 31.994 975.039 35.751 51.86432       47.97649 
1 1 1 11  22 6  o 157.737 33.395 5.6010  2.1613 9.1089  2.9509  1.5415  3.1744 201.582 35.882 111.416 44.519 90.16598       57.17907 
1 1 1 11  22 7  o 415.881 22.826 37.209  4.0047 33.050  5.4128  42.240  5.9527 388.421 33.226 439.866 32.179 -51.44528      46.25408 
1 1 1 11  22 8  o 232.021 26.640 11.758  2.5701 13.199  3.5593  10.188  3.7151 243.283 35.600 210.770 43.076 32.51288       55.88350 
1 1 1 11  22 9  o 434.191 32.539 41.373  5.9395 41.373  5.9395  0.0000  0.0000 434.191 32.539 ?       ?      0.000000       32.53857 
1 1 1 11  22 10 o 696.895 23.691 104.791 6.9920 0.0000  0.0000  104.791 6.9920 ?       ?      696.895 23.691 0.000000       23.69137 
1 1 1 11  22 11 o 146.381 34.830 4.9220  2.1278 5.5359  3.0263  4.3219  2.9924 153.927 44.138 138.434 44.764 15.49324       62.86477 
1 1 1 11  22 12 o 398.773 19.453 34.174  3.2851 33.301  5.4787  34.664  4.1050 386.685 33.795 399.258 24.395 -12.57291      41.68028 
1 1 1 11  22 13 o 708.183 19.291 107.886 5.7855 106.582 9.7190  108.601 7.2002 693.413 33.097 707.474 24.032 -14.06061      40.90144 
1 1 1 11  22 14 o 357.118 20.312 27.628  3.0592 33.355  5.1882  24.576  3.7877 386.285 32.003 333.841 27.023 52.44333       41.88606 
1 1 1 11  22 15 o 186.445 25.804 7.7412  1.9828 10.506  3.4259  6.3484  2.4314 211.576 39.694 164.967 35.829 46.60922       53.47206 
1 1 1 11  22 16 o 149.110 36.786 5.2210  2.3085 4.6884  3.1525  5.8368  3.3898 141.460 45.964 155.518 47.277 -14.05798      65.93778 
1 1 1 11  23 0  o 302.523 34.424 20.030  4.3317 0.0000  0.0000  20.030  4.3317 ?       ?      302.523 34.424 0.000000       34.42352 
1 1 1 11  23 1  o 345.274 22.420 25.588  3.2605 24.600  4.3828  26.813  4.8790 336.408 31.116 350.714 33.247 -14.30533      45.53684 
1 1 1 11  23 2  o 618.997 21.849 81.912  5.7274 91.165  7.8808  71.555  8.3382 650.815 28.594 573.517 34.491 77.29761       44.80208 
1 1 1 11  23 3  o 335.831 23.939 24.290  3.3823 28.275  4.6894  19.970  4.8830 360.491 31.019 299.876 39.405 60.61514       50.14904 
1 1 1 11  23 4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 11  23 5  o 559.119 21.935 66.960  5.1938 62.346  7.0406  72.469  7.6929 535.554 31.178 577.336 31.584 -41.78210      44.38035 
1 1 1 11  23 6  o 513.078 22.104 56.431  4.8027 59.517  6.5927  52.940  7.0108 523.504 29.861 491.868 33.863 31.63611       45.14862 
1 1 1 11  23 7  o 407.158 22.983 35.705  3.9467 30.659  5.3440  41.758  5.8536 373.337 34.180 437.154 31.837 -63.81674      46.71072 
1 1 1 11  23 8  o 388.085 31.820 33.021  5.1837 33.021  5.1837  0.0000  0.0000 388.085 31.820 ?       ?      0.000000       31.82029 
1 1 1 11  23 9  o 170.562 44.213 6.7881  3.2200 0.0000  0.0000  6.7881  3.2200 ?       ?      170.562 44.213 0.000000       44.21341 
1 1 1 11  23 10 o 335.633 35.287 25.176  4.9405 0.0000  0.0000  25.176  4.9405 ?       ?      335.633 35.287 0.000000       35.28712 
1 1 1 11  23 11 o 245.208 26.648 13.227  2.7226 13.496  3.9045  12.972  3.7985 242.640 39.345 237.913 39.056 4.726898       55.43851 
1 1 1 11  23 12 o 313.254 20.195 21.212  2.6648 23.998  4.5401  19.747  3.2914 327.831 33.158 300.123 26.158 27.70789       42.23369 
1 1 1 11  23 13 o 316.222 20.719 21.680  2.7593 19.504  4.6292  22.880  3.4365 291.737 38.402 323.057 25.321 -31.32037      45.99844 
1 1 1 11  23 14 o 137.530 31.058 4.3546  1.7661 6.0233  3.0911  3.5458  2.1519 158.204 44.351 123.987 37.663 34.21738       58.18524 
1 1 1 11  23 15 o 144.851 30.213 4.8117  1.7934 7.9192  3.2048  3.3949  2.1639 181.718 42.417 121.609 37.917 60.10880       56.89336 
1 1 1 11  24 0  o 208.033 40.442 9.7584  3.4346 0.0000  0.0000  9.7584  3.4346 ?       ?      208.033 40.442 0.000000       40.44173 
1 1 1 11  24 1  o 89.202  33.664 1.2790  1.7364 -0.2164 2.2699  3.3885  2.6960 82.036  35.509 127.184 42.557 -45.14753      55.42573 
1 1 1 11  24 2  o 378.849 22.920 30.850  3.6599 27.816  4.9836  34.402  5.3924 356.659 33.383 397.315 32.329 -40.65585      46.47121 
1 1 1 11  24 3  o 318.587 24.260 21.906  3.2486 19.776  4.4752  24.278  4.7232 299.176 36.047 332.583 34.013 -33.40717      49.56086 
1 1 1 11  24 4  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 11  24 5  o 174.645 30.871 6.7980  2.1997 5.2316  2.8728  9.0178  3.4200 151.478 42.859 198.524 41.990 -47.04553      60.00040 
1 1 1 11  24 6  o 333.354 23.711 23.999  3.3255 25.888  4.5216  21.774  4.9080 343.825 31.400 312.726 37.828 31.09909       49.16232 
1 1 1 11  24 7  o 466.608 30.467 47.508  5.9874 47.508  5.9874  0.0000  0.0000 466.608 30.467 ?       ?      0.000000       30.46742 
1 1 1 11  24 8  o 317.145 32.331 22.200  4.2816 22.200  4.2816  0.0000  0.0000 317.145 32.331 ?       ?      0.000000       32.33094 
1 1 1 11  24 9  o 258.570 39.959 15.248  4.2345 0.0000  0.0000  15.248  4.2345 ?       ?      258.570 39.959 0.000000       39.95908 
1 1 1 11  24 10 o 547.940 22.650 64.859  5.2558 58.591  7.1641  72.164  7.7342 514.135 33.079 571.516 32.085 -57.38123      46.08331 
1 1 1 11  24 11 o 290.643 25.576 18.497  3.1160 25.777  4.4581  11.543  4.3570 340.883 31.228 219.686 48.160 121.1973       57.39820 
1 1 1 11  24 12 o 197.410 29.677 8.7377  2.4043 7.2514  3.3073  10.403  3.5012 174.328 44.613 211.182 40.624 -36.85403      60.33774 
1 1 1 11  24 13 o 544.402 18.990 63.883  4.3781 65.776  7.3883  62.859  5.4352 542.611 32.298 537.265 23.888 5.346497       40.17237 
1 1 1 11  24 14 o 105.065 32.707 2.4811  1.6108 0.3330  2.8597  3.4794  1.9496 94.047  40.271 122.497 35.514 -28.45042      53.69407 
1 1 1 11  24 15 o 116.419 32.461 3.1277  1.6606 3.0807  2.8272  3.1524  2.0518 120.653 43.393 117.533 36.966 3.120911       57.00438 
1 1 1 11  25 0  o 208.885 25.564 9.5053  2.2142 9.5128  3.0421  9.4969  3.2291 206.236 36.148 205.385 38.541 0.8514099      52.84045 
1 1 1 11  25 1  f 361.555 22.552 28.107  3.4359 21.703  4.7411  35.191  4.9864 313.521 36.385 402.673 29.445 -89.15179      46.80656 
1 1 1 11  25 2  o 406.123 21.952 35.427  3.7616 33.512  5.2776  37.406  5.3628 391.802 32.088 414.557 30.766 -22.75583      44.45459 
1 1 1 11  25 3  o 216.952 29.105 10.347  2.6066 6.4719  3.6350  14.449  3.7399 167.753 48.453 254.977 35.606 -87.22385      60.12927 
1 1 1 11  25 4  o 481.005 33.277 50.629  6.7370 0.0000  0.0000  50.629  6.7370 ?       ?      481.005 33.277 0.000000       33.27727 
1 1 1 11  25 5  o 479.036 22.220 49.245  4.5078 46.696  6.1391  52.227  6.6403 462.384 31.540 488.775 32.261 -26.39075      45.11713 
1 1 1 11  25 6  o 82.820  33.126 0.7917  1.7596 -2.0605 2.3612  4.3536  2.6386 69.998  32.614 138.852 41.600 -68.85399      52.86032 
1 1 1 11  25 7  o 261.005 35.613 15.234  3.8336 15.234  3.8336  0.0000  0.0000 261.005 35.613 ?       ?      0.000000       35.61254 
1 1 1 11  25 8  o 426.798 33.934 40.341  6.0827 0.0000  0.0000  40.341  6.0827 ?       ?      426.798 33.934 0.000000       33.93359 
1 1 1 11  25 9  o 152.602 45.665 5.4410  3.1809 0.0000  0.0000  5.4410  3.1809 ?       ?      152.602 45.665 0.000000       45.66454 
1 1 1 11  25 10 o 223.268 27.369 11.028  2.5336 11.198  3.4997  10.839  3.6726 220.482 38.903 215.600 41.732 4.881424       57.05241 
1 1 1 11  25 11 o 384.811 23.498 32.215  3.8110 34.551  5.2592  29.633  5.5303 394.311 31.764 362.240 36.550 32.07092       48.42349 
1 1 1 11  25 12 o 348.354 24.059 26.523  3.5275 20.521  4.8149  33.476  5.1826 298.651 39.001 387.159 31.893 -88.50812      50.38102 
1 1 1 11  25 13 o 200.936 30.227 9.1315  2.4925 7.7737  3.3932  10.723  3.6731 178.975 44.857 212.186 42.360 -33.21054      61.69720 
1 1 1 11  25 14 o 310.674 20.661 21.007  2.7029 18.280  4.5291  22.516  3.3685 280.062 39.266 319.668 25.084 -39.60513      46.59405 
1 1 1 11  26 0  o 140.051 35.058 4.4399  2.0745 2.1348  3.0230  6.4915  2.8520 115.385 44.208 168.557 40.466 -53.17194      59.93177 
1 1 1 11  26 1  o 191.051 30.158 8.0830  2.3591 6.8168  3.3181  9.3774  3.3548 171.970 45.030 203.093 40.427 -31.12317      60.51421 
1 1 1 11  26 2  o 791.676 21.890 134.368 7.3391 140.416 10.150  127.741 10.625 805.094 29.770 766.084 32.748 39.00958       44.25710 
1 1 1 11  26 3  o 408.368 22.386 35.892  3.8566 32.914  5.3008  39.240  5.6215 387.492 32.605 423.756 31.551 -36.26337      45.37165 
1 1 1 11  26 4  o 489.943 32.829 52.571  6.7722 0.0000  0.0000  52.571  6.7722 ?       ?      489.943 32.829 0.000000       32.82930 
1 1 1 11  26 5  f 799.757 22.536 137.444 7.6325 134.201 10.391  141.243 11.247 784.983 31.259 804.014 33.033 -19.03070      45.47827 
1 1 1 11  26 6  o 306.396 36.435 20.954  4.6350 20.954  4.6350  0.0000  0.0000 306.396 36.435 ?       ?      0.000000       36.43511 
1 1 1 11  26 7  o 385.839 30.350 32.705  4.9192 32.705  4.9192  0.0000  0.0000 385.839 30.350 ?       ?      0.000000       30.35034 
1 1 1 11  26 8  o 286.710 37.413 18.599  4.4344 0.0000  0.0000  18.599  4.4344 ?       ?      286.710 37.413 0.000000       37.41313 
1 1 1 11  26 9  o 257.172 25.477 14.512  2.7382 11.401  3.6667  18.435  4.1170 221.707 40.547 286.187 34.677 -64.47987      53.35331 
1 1 1 11  26 10 o 268.347 24.881 15.779  2.7953 11.180  3.6324  22.458  4.3775 219.233 40.619 316.746 33.124 -97.51311      52.41339 
1 1 1 11  26 11 o 220.951 27.922 10.860  2.5543 9.6982  3.4548  12.261  3.7936 202.956 41.594 229.359 40.540 -26.40311      58.08165 
1 1 1 11  26 12 o 246.626 26.562 13.488  2.7305 11.529  3.7699  15.650  3.9602 220.659 41.874 260.761 36.891 -40.10236      55.80689 
1 1 1 11  26 13 o 439.066 32.904 43.494  6.0738 43.494  6.0738  0.0000  0.0000 439.066 32.904 ?       ?      0.000000       32.90445 
1 1 1 11  26 14 o 330.985 25.122 24.152  3.4950 29.600  4.9073  18.544  4.9790 362.072 32.344 278.991 43.565 83.08130       54.25920 
1 1 1 11  27 0  o 408.810 22.032 35.942  3.8002 38.248  5.2725  33.450  5.4823 419.088 29.904 390.401 33.483 28.68640       44.89268 
1 1 1 11  27 1  o 507.497 21.339 55.211  4.5862 55.985  6.3919  54.390  6.5841 507.251 29.887 499.309 31.296 7.942932       43.27454 
1 1 1 11  27 2  o 475.777 21.568 48.556  4.3457 42.249  5.9333  55.855  6.3829 439.310 32.115 506.481 29.891 -67.17102      43.87277 
1 1 1 11  27 3  o 258.394 26.396 14.562  2.8479 17.299  4.0318  11.837  4.0232 279.034 34.881 227.064 43.422 51.97055       55.69672 
1 1 1 11  27 4  o 428.219 33.803 40.380  6.0802 0.0000  0.0000  40.380  6.0802 ?       ?      428.219 33.803 0.000000       33.80262 
1 1 1 11  27 5  o 466.383 22.516 46.800  4.4471 42.212  6.0178  52.321  6.6008 438.017 32.677 488.193 32.107 -50.17587      45.81054 
1 1 1 11  27 6  o 364.326 33.386 29.401  5.0938 29.401  5.0938  0.0000  0.0000 364.326 33.386 ?       ?      0.000000       33.38591 
1 1 1 11  27 7  o 212.977 44.584 10.657  3.8922 0.0000  0.0000  10.657  3.8922 ?       ?      212.977 44.584 0.000000       44.58385 
1 1 1 11  27 8  o 243.668 26.090 13.065  2.6504 10.373  3.5743  16.354  3.9502 210.785 41.518 268.900 35.561 -58.11545      54.66595 
1 1 1 11  27 9  o 302.205 23.864 19.935  3.0293 16.452  4.1278  24.000  4.4595 268.584 37.297 327.741 32.561 -59.15634      49.51040 
1 1 1 11  27 10 f 364.490 23.795 28.976  3.6528 24.328  4.8845  34.874  5.5022 327.857 35.759 394.743 33.223 -66.88574      48.81045 
1 1 1 11  27 11 o 217.475 27.483 10.542  2.4746 10.280  3.3485  10.857  3.6733 209.611 39.162 214.118 42.010 -4.506699      57.43282 
1 1 1 11  27 12 o 301.316 25.341 20.040  3.2036 18.988  4.3461  21.291  4.7409 287.117 36.574 303.494 37.698 -16.37659      52.52415 
1 1 1 11  27 13 f 140.543 33.826 4.6240  1.9890 6.3982  2.9120  3.0725  2.7231 162.659 41.987 119.454 42.626 43.20471       59.83262 
1 1 1 11  27 14 o 365.259 32.774 30.200  5.0156 30.200  5.0156  0.0000  0.0000 365.259 32.774 ?       ?      0.000000       32.77361 
1 1 1 11  28 0  o 349.407 22.266 26.320  3.2776 27.313  4.5734  25.271  4.6996 353.116 30.893 338.686 33.192 14.42999       45.34463 
1 1 1 11  28 1  o 522.538 21.180 58.577  4.6868 58.158  6.4265  59.053  6.8501 516.752 29.488 519.841 31.261 -3.088257      42.97487 
1 1 1 11  28 2  o 263.692 24.932 15.123  2.7512 12.924  3.8819  17.343  3.8997 238.691 39.805 279.692 33.596 -41.00139      52.08734 
1 1 1 11  28 3  o 487.414 29.807 51.868  6.1231 51.868  6.1231  0.0000  0.0000 487.414 29.807 ?       ?      0.000000       29.80702 
1 1 1 11  28 4  o 387.909 22.517 32.494  3.6831 28.577  4.9957  37.157  5.4515 359.590 33.180 411.173 31.548 -51.58353      45.78402 
1 1 1 11  28 5  o 507.934 30.714 56.625  6.5756 56.625  6.5756  0.0000  0.0000 507.934 30.714 ?       ?      0.000000       30.71364 
1 1 1 11  28 6  o 373.191 35.538 31.168  5.5487 0.0000  0.0000  31.168  5.5487 ?       ?      373.191 35.538 0.000000       35.53781 
1 1 1 11  28 7  f 219.885 43.202 11.350  3.8794 0.0000  0.0000  11.350  3.8794 ?       ?      219.885 43.202 0.000000       43.20192 
1 1 1 11  28 8  o 290.293 25.863 18.509  3.1462 21.781  4.3774  15.012  4.5252 311.352 33.738 252.854 43.849 58.49825       55.32608 
1 1 1 11  28 9  o 276.023 24.883 16.717  2.8774 13.766  3.8797  20.325  4.2897 244.218 38.811 300.083 34.375 -55.86557      51.84575 
1 1 1 11  28 10 o 234.848 25.806 12.195  2.5243 13.125  3.3464  10.966  3.8450 240.280 33.823 214.457 43.816 25.82297       55.35210 
1 1 1 11  28 11 o 357.474 23.506 27.995  3.5386 20.171  4.6397  38.873  5.4711 295.240 37.990 416.364 31.257 -121.1242      49.19533 
1 1 1 11  28 12 o 150.552 34.143 5.3081  2.1268 3.7240  2.8019  7.4617  3.2669 127.682 43.382 174.717 44.138 -47.03534      61.88784 
1 1 1 11  28 13 o 114.400 39.537 2.8739  2.3298 2.8739  2.3298  0.0000  0.0000 114.400 39.537 ?       ?      0.000000       39.53741 
1 1 1 11  29 0  o 295.022 23.687 18.863  2.9345 21.601  4.1626  16.158  4.1376 313.066 31.840 268.254 37.442 44.81219       49.14930 
1 1 1 11  29 1  o 336.120 22.646 24.413  3.2048 23.380  4.4684  25.507  4.5988 325.306 32.887 340.146 32.314 -14.83932      46.10552 
1 1 1 11  29 2  o 150.749 35.410 5.1960  2.2222 6.0431  3.1289  4.3340  3.1565 161.180 44.416 139.943 46.018 21.23628       63.95625 
1 1 1 11  29 3  o 386.266 30.514 32.776  4.9509 32.776  4.9509  0.0000  0.0000 386.266 30.514 ?       ?      0.000000       30.51439 
1 1 1 11  29 4  o 255.073 37.203 14.719  3.9005 14.719  3.9005  0.0000  0.0000 255.073 37.203 ?       ?      0.000000       37.20332 
1 1 1 11  29 5  o 141.492 35.889 4.6205  2.1538 2.5063  3.0434  6.7418  3.0484 117.703 44.532 169.299 42.564 -51.59605      61.60214 
1 1 1 11  29 6  o 186.068 43.808 8.2156  3.3948 0.0000  0.0000  8.2156  3.3948 ?       ?      186.068 43.808 0.000000       43.80772 
1 1 1 11  29 7  o 248.672 26.762 13.662  2.7740 11.147  3.8841  16.280  3.9631 216.996 43.777 267.559 35.880 -50.56235      56.60177 
1 1 1 11  29 8  o 88.477  34.864 1.1155  1.9216 0.2726  2.6778  2.0104  2.7592 91.396  39.049 108.924 42.103 -17.52726      57.42384 
1 1 1 11  29 9  o 284.569 26.242 17.868  3.1269 21.882  4.4213  13.851  4.4228 311.046 34.125 241.023 44.986 70.02382       56.46446 
1 1 1 11  29 10 o 206.238 27.091 9.5077  2.3089 11.273  3.0418  7.1074  3.5467 222.039 33.381 170.000 47.454 52.03888       58.01862 
1 1 1 11  29 11 o 227.197 26.907 11.538  2.5386 9.8855  3.4467  13.498  3.7531 203.009 41.492 240.037 38.201 -37.02820      56.39934 
1 1 1 11  29 12 o 166.169 31.561 6.3756  2.1397 7.4129  2.9618  5.2430  3.0947 175.353 40.672 146.805 45.273 28.54819       60.85975 
1 1 1 11  29 13 o 96.537  38.929 1.2724  2.4516 1.2724  2.4516  0.0000  0.0000 96.537  38.929 ?       ?      0.000000       38.92872 
1 1 1 11  30 0  o 267.257 23.507 15.515  2.6334 16.524  3.7097  14.489  3.7390 272.767 32.770 254.069 35.738 18.69844       48.48815 
1 1 1 11  30 1  f 161.964 32.908 5.9500  2.1802 5.3951  3.1437  6.4642  3.0262 152.677 45.331 166.492 42.711 -13.81572      62.28304 
1 1 1 11  30 2  o 366.603 22.334 29.068  3.4509 31.305  4.8762  26.823  4.8844 377.014 30.810 347.531 33.607 29.48364       45.59251 
1 1 1 11  30 3  o 127.891 41.950 3.6168  2.6237 3.6168  2.6237  0.0000  0.0000 127.891 41.950 ?       ?      0.000000       41.95020 
1 1 1 11  30 4  f 149.512 46.743 5.2040  3.2862 5.2040  3.2862  0.0000  0.0000 149.512 46.743 ?       ?      0.000000       46.74342 
1 1 1 11  30 5  o 278.546 36.306 17.623  4.1809 0.0000  0.0000  17.623  4.1809 ?       ?      278.546 36.306 0.000000       36.30650 
1 1 1 11  30 6  o 419.988 22.649 38.354  4.0136 35.502  5.5227  41.546  5.8429 398.202 33.048 431.522 32.205 -33.31973      46.14478 
1 1 1 11  30 7  o 136.774 37.042 4.3673  2.1985 5.8907  3.1618  2.9412  3.0592 156.852 45.156 121.427 44.909 35.42544       63.68572 
1 1 1 11  30 8  o 298.638 26.020 19.659  3.2579 22.191  4.6222  17.160  4.5925 312.302 35.584 270.971 41.329 41.33096       54.53730 
1 1 1 11  30 9  o 98.758  36.171 1.8934  1.9769 2.8100  2.8453  1.0379  2.7487 117.626 43.347 98.511  40.653 19.11468       59.42779 
1 1 1 11  30 10 o 129.514 37.202 3.9563  2.1482 2.8877  3.0561  5.0001  3.0202 119.462 44.747 143.989 44.778 -24.52677      63.30363 
1 1 1 11  30 11 o 88.075  34.580 1.1945  1.8841 0.8912  2.7416  1.4658  2.5936 96.445  40.265 100.080 40.152 -3.634834      56.86336 
1 1 1 11  30 12 o 151.839 34.155 5.4209  2.1431 1.2293  2.7394  12.033  3.4406 99.474  40.763 226.473 37.163 -126.9984      55.16036 
1 1 1 11  31 0  o 159.570 32.202 5.7786  2.1010 5.0463  2.9455  6.5372  2.9979 147.652 43.888 167.164 42.310 -19.51198      60.96101 
1 1 1 11  31 1  o 432.093 21.146 40.209  3.8695 43.391  5.4037  36.859  5.5435 444.829 28.840 408.026 32.347 36.80380       43.33677 
1 1 1 11  31 2  o 212.771 40.875 10.511  3.5493 10.511  3.5493  0.0000  0.0000 212.771 40.875 ?       ?      0.000000       40.87497 
1 1 1 11  31 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 11  31 4  o 344.626 33.540 26.659  4.8329 0.0000  0.0000  26.659  4.8329 ?       ?      344.626 33.540 0.000000       33.53956 
1 1 1 11  31 5  o 109.714 41.992 2.1291  2.7258 0.0000  0.0000  2.1291  2.7258 ?       ?      109.714 41.992 0.000000       41.99195 
1 1 1 11  31 6  o 236.742 27.271 12.448  2.6842 13.642  3.8670  11.339  3.7288 242.468 38.980 219.282 41.677 23.18555       57.06517 
1 1 1 11  31 7  o 168.464 31.988 6.5038  2.1986 5.8892  3.0004  7.2167  3.2311 156.620 43.620 173.000 44.000 -16.38025      61.95775 
1 1 1 11  31 8  f 246.435 26.671 13.499  2.7391 13.820  3.8581  13.174  3.8893 243.330 38.738 236.615 40.256 6.715210       55.86768 
1 1 1 11  31 9  o 462.099 22.605 46.612  4.4236 45.488  6.0002  47.950  6.5476 449.086 31.754 459.185 33.910 -10.09848      46.45668 
1 1 1 11  31 10 o 263.115 26.511 15.453  2.9138 13.603  4.0243  17.493  4.2244 238.286 41.381 273.509 37.455 -35.22287      55.81435 
1 1 1 11  31 11 o 125.963 37.430 3.7539  2.1427 3.8608  3.3807  3.6821  2.7701 130.943 47.401 126.326 43.134 4.616219       64.08929 
1 1 1 11  32 0  o 177.851 29.181 7.0937  2.1216 9.9894  3.1065  4.5622  2.9046 208.989 36.424 140.735 43.937 68.25417       57.07119 
1 1 1 11  32 1  o 155.156 44.028 5.6936  3.0271 5.6936  3.0271  0.0000  0.0000 155.156 44.028 ?       ?      0.000000       44.02765 
1 1 1 11  32 2  o 145.010 44.935 4.9271  3.0445 4.9271  3.0445  0.0000  0.0000 145.010 44.935 ?       ?      0.000000       44.93548 
1 1 1 11  32 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 11  32 4  o 221.011 39.761 11.428  3.5847 0.0000  0.0000  11.428  3.5847 ?       ?      221.011 39.761 0.000000       39.76149 
1 1 1 11  32 5  o 205.357 29.292 9.4831  2.4753 11.887  3.5896  7.3033  3.4179 225.785 38.948 173.387 45.847 52.39735       60.15711 
1 1 1 11  32 6  o 239.788 27.757 12.818  2.7666 18.280  4.0164  7.8859  3.8163 283.543 34.134 178.712 48.973 104.8305       59.69487 
1 1 1 11  32 7  f 180.852 32.010 7.5032  2.3619 4.6055  3.3025  10.537  3.3792 140.208 47.101 211.534 39.164 -71.32605      61.25589 
1 1 1 11  32 8  f 240.688 28.262 13.015  2.8259 17.959  4.0099  8.1376  3.9830 279.470 34.622 179.259 50.376 100.2110       61.12643 
1 1 1 11  32 9  o 142.094 36.442 4.8146  2.2035 7.9825  3.1409  1.7445  3.0920 181.016 41.815 107.923 43.649 73.09283       60.44606 
1 1 1 11  32 10 o 394.206 23.501 34.238  3.9055 33.770  5.3231  34.784  5.7477 384.347 33.025 388.047 35.364 -3.700684      48.38643 
1 1 1 11  32 11 o 110.856 44.018 2.0849  3.0851 2.0849  3.0851  0.0000  0.0000 110.856 44.018 ?       ?      0.000000       44.01774 
1 1 1 11  33 0  o 220.397 37.588 11.215  3.3825 11.215  3.3825  0.0000  0.0000 220.397 37.588 ?       ?      0.000000       37.58793 
1 1 1 11  33 1  o 210.171 40.047 10.354  3.4342 10.354  3.4342  0.0000  0.0000 210.171 40.047 ?       ?      0.000000       40.04670 
1 1 1 11  33 2  o 185.625 39.468 8.1235  3.0071 0.0000  0.0000  8.1235  3.0071 ?       ?      185.625 39.468 0.000000       39.46770 
1 1 1 11  33 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 11  33 4  o 328.946 22.265 23.619  3.0834 20.589  4.2544  26.972  4.4752 301.110 33.956 347.047 30.769 -45.93719      45.82294 
1 1 1 11  33 5  o 334.849 23.748 24.589  3.3458 23.640  4.6940  25.569  4.7702 321.954 34.991 335.571 34.038 -13.61700      48.81526 
1 1 1 11  33 6  o 323.185 23.470 22.930  3.1904 25.369  4.5279  20.526  4.4960 334.864 32.331 298.457 36.320 36.40649       48.62561 
1 1 1 11  33 7  o 143.031 34.078 4.8141  2.0348 2.7351  2.8881  6.8633  2.8673 116.276 43.510 168.490 40.652 -52.21320      59.54551 
1 1 1 11  33 8  o 245.835 27.178 13.568  2.7822 14.814  3.8830  12.253  3.9883 250.802 37.727 223.988 43.614 26.81418       57.66725 
1 1 1 11  33 9  o 205.152 28.813 9.5731  2.4343 6.2689  3.3415  13.310  3.5534 157.940 46.698 238.021 36.409 -80.08102      59.21462 
1 1 1 11  33 10 o 214.482 29.171 10.469  2.5809 11.165  3.5901  9.7240  3.7129 214.877 40.947 197.468 45.355 17.40860       61.10413 
1 1 1 11  34 0  o 123.377 43.185 3.3243  2.7837 3.3243  2.7837  0.0000  0.0000 123.377 43.185 ?       ?      0.000000       43.18486 
1 1 1 11  34 1  o 301.963 33.016 20.651  4.1533 0.0000  0.0000  20.651  4.1533 ?       ?      301.963 33.016 0.000000       33.01644 
1 1 1 11  34 2  o 78.510  33.915 0.0000  2.0622 0.0000  0.0000  0.0000  2.0622 ?       ?      78.510  33.915 0.000000       33.91473 
1 1 1 11  34 3  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 11  34 4  o 80.800  32.228 0.8621  1.6607 -2.2675 2.6308  2.9352  2.1412 72.590  34.019 114.435 37.914 -41.84445      50.93851 
1 1 1 11  34 5  o 212.303 27.315 10.112  2.3989 6.2352  3.3263  14.314  3.4629 159.032 46.470 249.878 33.573 -90.84578      57.32932 
1 1 1 11  34 6  o 161.132 32.709 6.0546  2.1558 5.1004  2.8813  7.2681  3.2492 144.674 43.499 171.464 44.397 -26.79008      62.15513 
1 1 1 11  34 7  o 96.038  35.178 1.8365  1.8698 -0.8270 2.9622  3.6008  2.4109 85.977  38.706 123.769 40.194 -37.79143      55.80044 
1 1 1 11  34 8  o 127.565 37.065 3.8911  2.1215 2.8210  3.1451  4.7844  2.8737 118.043 45.124 139.714 43.716 -21.67030      62.82718 
1 1 1 11  34 9  o 395.051 23.991 34.529  3.9946 29.390  5.4619  40.438  5.8574 354.147 36.963 419.586 33.236 -65.43985      49.70779 
1 1 1 11  35 0  f 71.630  33.465 -2.0607 2.5126 0.0000  0.0000  -2.0607 2.5126 ?       ?      71.630  33.465 0.000000       33.46462 
1 1 1 11  35 1  o 300.790 33.124 20.576  4.1495 0.0000  0.0000  20.576  4.1495 ?       ?      300.790 33.124 0.000000       33.12408 
1 1 1 11  35 2  o 91.880  33.488 1.6387  1.6915 1.9283  2.4390  1.3702  2.3479 103.667 39.711 96.423  38.364 7.244125       55.21593 
1 1 1 11  35 3  o 133.942 43.404 4.2333  2.8123 0.0000  0.0000  4.2333  2.8123 ?       ?      133.942 43.404 0.000000       43.40425 
1 1 1 11  35 4  o 87.571  33.491 1.3147  1.7331 1.5193  2.6710  1.1660  2.2776 101.456 40.732 93.022  37.518 8.434784       55.37740 
1 1 1 11  35 5  o 128.788 34.843 3.9318  1.9464 1.0424  2.9740  6.0968  2.5743 100.218 41.897 158.957 38.622 -58.73901      56.98254 
1 1 1 11  35 6  o 101.166 35.087 2.2216  1.8356 4.0425  2.8616  0.9486  2.3927 130.328 43.843 91.773  37.906 38.55543       57.95753 
1 1 1 11  35 7  o 183.755 29.720 7.7702  2.2338 4.4335  3.3341  10.488  3.0090 135.710 47.275 211.184 34.861 -75.47412      58.73847 
1 1 1 11  35 8  o 217.874 28.193 10.790  2.5403 9.9500  3.7173  11.527  3.4796 199.072 45.134 218.938 38.957 -19.86600      59.62133 
1 1 1 11  35 9  o 330.978 35.676 25.583  4.9215 25.583  4.9215  0.0000  0.0000 330.978 35.676 ?       ?      0.000000       35.67573 
1 1 1 11  36 0  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 11  36 1  o 400.057 21.663 34.979  3.6564 37.019  5.1680  32.935  5.1738 405.658 30.302 380.947 32.377 24.71103       44.34498 
1 1 1 11  36 2  o 71.805  30.112 0.3214  1.5435 0.9538  2.2143  -0.2762 2.1525 89.858  36.715 77.240  33.983 12.61709       50.02844 
1 1 1 11  36 3  o 125.641 41.931 3.6891  2.6172 0.0000  0.0000  3.6891  2.6172 ?       ?      125.641 41.931 0.000000       41.93117 
1 1 1 11  36 4  o 159.598 32.325 5.9672  2.1099 7.3957  3.0655  4.6812  2.9085 173.094 42.200 138.383 44.067 34.71173       61.01476 
1 1 1 11  36 5  o 237.253 26.247 12.661  2.5930 11.256  3.6816  14.044  3.6526 214.189 42.089 243.761 36.507 -29.57150      55.71543 
1 1 1 11  36 6  o 146.071 35.255 5.1237  2.1560 4.8465  3.1110  5.3798  2.9906 139.767 45.672 146.516 44.376 -6.748596      63.67973 
1 1 1 11  36 7  o 75.410  32.503 0.1078  1.8855 3.3380  2.7853  -2.6247 2.5617 120.880 43.113 68.640  32.589 52.24038       54.04425 
1 1 1 11  36 8  o 130.116 46.167 4.0001  3.1899 4.0001  3.1899  0.0000  0.0000 130.116 46.167 ?       ?      0.000000       46.16700 
1 1 1 11  37 0  o 133.612 34.416 4.2303  1.9593 2.4466  2.8890  5.7494  2.6660 112.676 43.206 153.665 40.424 -40.98913      59.16831 
1 1 1 11  37 1  o 87.322  33.893 1.2587  1.7938 -0.6957 2.3932  3.7642  2.7098 77.849  34.940 126.655 42.665 -48.80605      55.14598 
1 1 1 11  37 2  o 182.954 29.170 7.6755  2.1842 9.8428  3.2313  5.8523  2.9638 202.070 39.175 153.284 43.589 48.78558       58.60567 
1 1 1 11  37 3  o 197.507 38.731 9.4258  3.1238 0.0000  0.0000  9.4258  3.1238 ?       ?      197.507 38.731 0.000000       38.73111 
1 1 1 11  37 4  o 126.816 33.978 3.8454  1.8616 2.8319  2.7502  4.7026  2.5292 114.708 42.549 138.172 40.564 -23.46365      58.78684 
1 1 1 11  37 5  o 68.277  32.299 -2.3713 2.4724 -2.3713 2.4724  0.0000  0.0000 68.277  32.299 ?       ?      0.000000       32.29946 
1 1 1 11  37 6  o 83.303  33.618 0.9373  1.8298 1.6221  2.6539  0.3167  2.5263 100.857 40.562 87.289  37.622 13.56744       55.32364 
1 1 1 11  37 7  o 114.424 35.971 3.0899  1.9431 4.1683  2.9868  2.2985  2.5585 131.110 44.789 107.212 40.767 23.89830       60.56394 
1 1 1 11  38 0  o 132.418 35.038 4.2058  1.9954 3.9952  2.6038  4.5056  3.1060 128.689 41.770 135.747 45.678 -7.058044      61.89650 
1 1 1 11  38 1  o 180.449 32.835 7.6569  2.4168 2.3179  3.1820  14.936  3.7154 112.579 44.703 251.311 35.933 -138.7320      57.35427 
1 1 1 11  38 2  o 133.120 45.743 4.3353  3.1163 4.3353  3.1163  0.0000  0.0000 133.120 45.743 ?       ?      0.000000       45.74298 
1 1 1 11  38 3  o 105.450 34.937 2.5539  1.8182 0.9944  2.7653  3.7414  2.4130 96.029  40.290 124.360 40.196 -28.33050      56.91238 
1 1 1 11  38 4  o 179.459 30.188 7.4944  2.2128 8.5937  3.2120  6.5014  3.0528 185.356 41.903 159.770 43.809 25.58626       60.62213 
1 1 1 11  38 5  o 230.001 26.750 12.004  2.5569 13.289  3.5735  10.656  3.6601 235.382 37.075 205.957 43.336 29.42506       57.03155 
1 1 1 11  38 6  o 197.996 29.662 9.0568  2.4106 13.599  3.5279  5.0791  3.3015 239.090 35.956 141.650 47.086 97.43976       59.24466 
1 1 1 11  39 0  o 143.358 34.494 4.9620  2.0688 2.3878  3.0395  7.1837  2.8238 111.374 43.859 170.091 39.892 -58.71688      59.28755 
1 1 1 11  39 1  f 216.537 25.198 10.593  2.2675 8.3275  3.1196  13.131  3.3014 182.351 41.349 235.689 34.065 -53.33838      53.57397 
1 1 1 11  39 2  o 79.037  35.671 -0.7230 2.5343 -0.7230 2.5343  0.0000  0.0000 79.037  35.671 ?       ?      0.000000       35.67065 
1 1 1 11  39 3  o 301.296 24.014 20.308  3.0386 22.221  4.4085  18.578  4.1940 306.863 34.523 278.821 36.387 28.04248       50.15838 
1 1 1 11  39 4  o 155.568 32.869 5.7763  2.0976 3.8554  3.0814  7.4352  2.8635 126.757 45.332 172.890 39.918 -46.13303      60.40209 
1 1 1 11  40 0  f 109.485 35.412 2.8389  1.8726 -0.6490 2.7224  5.9710  2.5798 82.130  37.027 154.368 39.346 -72.23829      54.02900 
1 1 1 11  40 1  o 85.591  33.730 1.2064  1.7989 0.0000  2.5359  2.4284  2.5523 84.113  36.948 107.495 40.754 -23.38197      55.01005 
1 1 1 11  40 2  o 216.762 33.671 11.162  2.9906 10.347  3.4814  13.457  5.8419 202.694 41.940 212.289 61.457 -9.594955      74.40369 
1 1 1 11  40 3  o 194.567 29.247 8.7846  2.3353 10.254  3.5109  7.6183  3.1276 201.474 42.486 172.644 42.952 28.82951       60.41483 
1 1 1 11  41 0  o 85.166  33.437 1.2276  1.7616 4.3187  2.6468  -1.2303 2.3602 130.737 42.081 72.331  33.318 58.40617       53.67408 
1 1 1 11  41 1  o 265.190 22.954 15.746  2.5525 20.528  3.7228  11.504  3.5064 297.634 29.942 214.964 39.989 82.67052       49.95616 
1 1 1 12  0  0  o 560.918 23.353 67.147  5.5256 68.647  7.8083  65.642  7.8204 565.036 32.886 552.181 33.731 0.000000       0.000000 
1 1 1 12  0  1  o 157.410 36.821 6.0584  2.1335 7.6559  2.9004  4.1749  3.1493 174.257 45.485 115.003 55.570 0.000000       0.000000 
1 1 1 12  0  2  o 244.952 27.067 13.208  2.7202 13.136  3.7201  13.291  3.9878 238.782 40.215 238.483 43.861 0.000000       0.000000 
1 1 1 12  0  3  o 729.496 24.013 113.389 7.4003 117.553 10.468  109.229 10.463 740.666 33.531 713.455 34.818 0.000000       0.000000 
1 1 1 12  0  4  o 635.119 33.525 86.656  8.9597 0.0000  0.0000  86.656  8.9597 635.119 33.525 635.119 33.525 0.000000       0.000000 
1 1 1 12  0  5  o 1907.67 31.426 775.911 25.373 797.507 35.948  754.472 35.817 1927.68 44.087 1874.23 45.185 0.000000       0.000000 
1 1 1 12  0  6  o 285.065 25.810 17.703  3.0571 15.253  4.2620  20.300  4.3876 257.104 42.680 302.314 35.561 0.000000       0.000000 
1 1 1 12  0  7  o 344.011 25.075 25.575  3.6085 27.227  5.0657  23.874  5.1414 351.969 34.764 327.474 38.463 0.000000       0.000000 
1 1 1 12  0  8  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 12  0  9  o 1163.42 26.257 288.897 12.922 280.051 18.098  298.095 18.455 1140.71 37.557 1177.22 37.102 0.000000       0.000000 
1 1 1 12  0  10 o 435.523 24.572 40.787  4.4991 36.707  6.2074  45.303  6.5303 408.929 36.514 456.130 34.250 0.000000       0.000000 
1 1 1 12  0  11 o 452.846 35.865 44.834  6.7788 0.0000  0.0000  44.834  6.7788 452.846 35.865 452.846 35.865 0.000000       0.000000 
1 1 1 12  0  12 o 52.745  34.760 -0.3626 1.9881 -0.3626 1.9881  0.0000  0.0000 52.745  34.760 52.745  34.760 0.000000       0.000000 
1 1 1 12  0  13 o 694.840 24.301 103.493 7.1310 107.653 9.9958  99.181  10.176 704.830 33.663 675.300 35.812 0.000000       0.000000 
1 1 1 12  0  14 o 361.461 25.525 28.354  3.8625 26.546  5.2153  30.551  5.7484 344.937 36.752 370.414 37.528 0.000000       0.000000 
1 1 1 12  0  15 o 379.651 25.174 31.249  4.0066 33.688  5.5231  28.540  5.8210 390.789 33.963 356.103 39.882 0.000000       0.000000 
1 1 1 12  0  16 o 80.683  40.753 2.0921  1.7269 3.1619  2.2110  0.4188  2.7653 99.138  46.711 68.339  43.495 0.000000       0.000000 
1 1 1 12  0  17 o 343.426 25.878 25.735  3.7145 24.604  5.0361  27.085  5.5006 330.394 37.208 346.362 38.743 0.000000       0.000000 
1 1 1 12  1  0  o 519.312 16.357 57.257  3.5973 55.613  5.0659  58.930  5.1090 511.087 23.405 526.167 22.928 -15.07977      32.76439 
1 1 1 12  1  1  o 643.236 16.556 87.851  4.5100 89.246  6.3613  86.441  6.3952 647.470 23.200 637.138 23.701 10.33282       33.16589 
1 1 1 12  1  2  o 439.505 16.557 41.016  3.0817 38.119  4.3277  43.995  4.3892 422.337 24.299 454.046 22.901 -31.70908      33.38966 
1 1 1 12  1  3  o 756.841 16.776 121.649 5.3771 125.683 7.6019  117.609 7.6067 768.225 23.366 742.989 24.175 25.23578       33.62186 
1 1 1 12  1  4  o 1046.74 25.149 233.652 11.148 234.501 15.752  232.799 15.780 1044.95 35.596 1041.07 35.791 3.881348       50.47823 
1 1 1 12  1  5  o 198.097 23.905 8.4869  1.9649 7.7885  3.4016  8.8367  2.4072 185.962 43.898 201.221 29.093 -15.25862      52.66313 
1 1 1 12  1  6  o 336.214 17.008 24.093  2.4138 22.226  3.4028  25.984  3.4246 321.609 25.185 348.216 23.359 -26.60718      34.34974 
1 1 1 12  1  7  o 432.788 17.033 39.840  3.1218 36.763  4.4063  42.941  4.4234 413.875 25.261 447.826 23.406 -33.95035      34.43741 
1 1 1 12  1  8  o 913.068 35.444 180.349 13.705 0.0000  0.0000  180.349 13.705 ?       ?      913.068 35.444 0.000000       35.44410 
1 1 1 12  1  9  o 454.328 17.019 43.945  3.2745 44.036  4.5963  43.851  4.6662 452.963 24.047 451.897 24.474 1.066010       34.31090 
1 1 1 12  1  10 o 388.346 17.175 32.124  2.8246 30.973  3.9352  33.347  4.0568 379.374 24.627 393.748 24.450 -14.37369      34.70258 
1 1 1 12  1  11 o 257.699 28.903 14.490  3.0999 22.959  4.5768  7.3122  4.2136 323.556 33.905 178.426 52.350 145.1302       62.37032 
1 1 1 12  1  12 o 215.319 27.500 10.159  2.4503 8.9899  3.4426  11.360  3.4884 198.112 42.318 224.732 38.009 -26.61958      56.88116 
1 1 1 12  1  13 o 508.888 17.093 55.309  3.6837 57.658  5.2280  52.994  5.1914 517.480 23.856 495.806 24.724 21.67459       34.35717 
1 1 1 12  1  14 o 459.999 17.153 45.220  3.3415 52.923  4.7800  37.858  4.6729 495.910 22.760 417.438 26.571 78.47266       34.98679 
1 1 1 12  1  15 o 613.536 17.151 80.520  4.4564 81.224  6.2825  79.807  6.3223 613.155 24.195 607.591 24.571 5.564148       34.48349 
1 1 1 12  1  16 o 633.478 17.286 85.979  4.6375 86.568  6.5571  85.390  6.5596 631.919 24.502 627.497 24.684 4.422241       34.78043 
1 1 1 12  1  17 o 399.704 17.560 34.263  2.9724 31.973  4.1409  36.698  4.2692 382.565 25.708 410.454 24.675 -27.88901      35.63398 
1 1 1 12  2  0  o 572.224 16.323 69.519  3.9556 70.935  5.5531  68.060  5.6359 577.304 22.714 565.378 23.539 11.92572       32.71037 
1 1 1 12  2  1  o 669.604 16.510 95.200  4.6817 97.196  6.6182  93.201  6.6237 675.698 23.128 661.588 23.641 14.11041       33.07290 
1 1 1 12  2  2  o 539.305 16.503 61.757  3.7690 69.858  5.3490  53.769  5.3117 572.966 22.044 502.321 24.969 70.64490       33.30807 
1 1 1 12  2  3  o 474.808 16.480 47.873  3.3138 44.376  4.6320  51.540  4.7427 455.772 24.084 492.015 22.761 -36.24307      33.13775 
1 1 1 12  2  4  o 550.136 23.281 64.477  5.4239 70.288  7.7223  58.820  7.6197 571.981 32.009 522.422 34.637 49.55933       47.16267 
1 1 1 12  2  5  o 276.982 20.636 16.420  2.4032 14.226  4.0625  17.602  2.9807 254.026 39.011 286.163 24.842 -32.13737      46.24883 
1 1 1 12  2  6  o 143.574 24.122 4.5176  1.4146 3.5718  2.0135  5.4396  1.9879 127.026 35.860 156.563 31.079 -29.53732      47.45356 
1 1 1 12  2  7  o 654.164 16.792 91.013  4.6520 101.455 6.6241  80.852  6.5345 689.420 22.688 614.900 25.094 74.51971       33.82969 
1 1 1 12  2  8  o 260.847 37.340 15.030  4.0072 0.0000  0.0000  15.030  4.0072 ?       ?      260.847 37.340 0.000000       37.34029 
1 1 1 12  2  9  o 711.684 17.018 107.834 5.1292 107.306 7.2615  108.360 7.2460 707.969 24.220 711.491 24.048 -3.522217      34.13079 
1 1 1 12  2  10 o 283.705 17.867 17.220  2.1357 18.290  3.0783  16.227  2.9654 290.977 25.231 273.809 25.880 17.16891       36.14419 
1 1 1 12  2  11 o 215.806 28.173 10.195  2.5133 7.2786  3.6598  12.799  3.4576 177.837 47.637 240.298 35.005 -62.46042      59.11538 
1 1 1 12  2  12 o 417.379 23.904 37.549  4.2075 39.645  5.9533  35.457  5.9474 425.448 33.308 401.372 35.350 24.07571       48.57040 
1 1 1 12  2  13 o 267.368 18.373 15.358  2.0677 15.988  2.9253  14.730  2.9230 270.958 25.804 259.654 26.976 11.30472       37.33088 
1 1 1 12  2  14 o 369.007 17.309 29.105  2.7049 28.161  3.8858  29.993  3.7675 360.112 25.648 372.249 24.027 -12.13666      35.14417 
1 1 1 12  2  15 o 180.473 21.358 7.0989  1.6007 8.0587  2.3700  6.2938  2.1707 189.880 30.506 166.943 31.865 22.93684       44.11356 
1 1 1 12  2  16 o 96.733  29.336 2.0690  1.3063 3.0183  1.8715  1.1670  1.8243 115.854 35.108 88.074  34.182 27.78006       48.99940 
1 1 1 12  2  17 o 211.356 19.909 9.6957  1.7610 10.337  2.5673  9.1262  2.4200 215.532 28.851 202.228 29.095 13.30363       40.97442 
1 1 1 12  3  0  o 591.682 16.256 74.326  4.0732 74.054  5.7572  74.599  5.7635 589.809 23.049 591.984 22.990 -2.175171      32.55452 
1 1 1 12  3  1  o 1247.47 18.439 330.644 9.7413 320.463 13.703  341.048 13.851 1225.92 26.393 1264.85 25.859 -38.93823      36.94981 
1 1 1 12  3  2  o 459.404 16.364 44.812  3.1837 51.194  4.5196  38.526  4.4855 490.514 21.757 424.454 25.065 66.05933       33.19104 
1 1 1 12  3  3  o 665.934 16.486 94.174  4.6492 94.051  6.5333  94.300  6.6174 664.558 23.214 665.392 23.484 -0.8341064     33.02104 
1 1 1 12  3  4  o 656.779 23.479 91.913  6.5304 87.889  9.1505  96.090  9.3228 639.207 33.925 669.527 32.880 -30.31952      47.24402 
1 1 1 12  3  5  o 842.729 19.696 151.117 7.0293 150.762 12.087  151.298 8.6408 837.680 34.071 842.182 24.227 -4.501831      41.80666 
1 1 1 12  3  6  o 321.215 17.093 21.999  2.3169 23.083  3.2575  20.890  3.2960 328.054 23.605 311.710 25.183 16.34406       34.51670 
1 1 1 12  3  7  o 292.845 17.677 18.314  2.1819 16.355  3.0883  20.267  3.0832 275.093 26.852 307.086 23.896 -31.99261      35.94487 
1 1 1 12  3  8  o 332.057 24.443 23.714  3.4131 27.225  4.7815  20.067  4.8736 353.991 32.249 301.545 39.083 52.44650       50.67064 
1 1 1 12  3  9  o 605.783 19.497 78.266  5.0017 80.555  6.1176  73.653  8.6868 613.567 23.544 581.877 35.421 31.68951       42.53141 
1 1 1 12  3  10 o 229.478 19.010 11.308  1.8308 10.527  2.6055  12.070  2.5730 219.357 28.739 235.710 26.220 -16.35368      38.90315 
1 1 1 12  3  11 o 469.296 24.370 47.379  4.8267 49.374  6.8445  45.404  6.8077 475.536 34.216 455.362 35.585 20.17401       49.36610 
1 1 1 12  3  12 o 218.503 27.399 10.458  2.4796 8.9065  3.3886  12.246  3.6380 197.237 41.863 233.425 38.117 -36.18842      56.61684 
1 1 1 12  3  13 o 369.670 17.209 29.193  2.6941 27.687  3.8288  30.670  3.7916 357.296 25.471 376.656 23.894 -19.36020      34.92407 
1 1 1 12  3  14 o 413.471 17.219 36.540  3.0150 33.891  4.2071  39.337  4.3231 395.333 25.261 426.489 24.034 -31.15622      34.86738 
1 1 1 12  3  15 o 308.390 17.884 20.431  2.3256 17.360  3.2624  23.603  3.3160 281.288 27.748 329.755 23.908 -48.46686      36.62715 
1 1 1 12  3  16 o 140.667 25.046 4.4141  1.4373 3.3201  2.0003  5.5819  2.0667 121.044 36.210 156.521 32.252 -35.47723      48.49070 
1 1 1 12  3  17 o 506.756 17.100 55.041  3.6697 53.255  5.1615  56.867  5.2184 495.274 24.609 512.072 24.064 -16.79767      34.41868 
1 1 1 12  4  0  o 295.211 17.120 18.570  2.1311 20.318  3.0382  16.877  2.9900 308.030 23.467 280.268 25.470 27.76224       34.63268 
1 1 1 12  4  1  o 567.314 16.318 68.334  3.9203 65.819  5.4884  70.953  5.6018 555.998 23.309 577.330 22.912 -21.33124      32.68425 
1 1 1 12  4  2  o 411.749 16.509 36.000  2.8787 34.698  4.0132  37.380  4.1315 402.962 23.621 418.327 23.415 -15.36523      33.25951 
1 1 1 12  4  3  o 754.446 16.705 120.885 5.3372 122.277 7.4984  119.456 7.5986 757.692 23.368 748.786 23.962 8.905640       33.47066 
1 1 1 12  4  4  o 445.599 23.333 42.423  4.3879 37.294  6.1120  47.877  6.3032 415.309 35.079 471.731 31.736 -56.42166      47.30471 
1 1 1 12  4  5  o 532.016 19.081 60.213  4.2990 58.977  7.3478  60.856  5.3010 523.023 33.347 534.218 23.431 -11.19458      40.75618 
1 1 1 12  4  6  o 488.496 16.480 50.726  3.4093 49.898  4.7772  51.585  4.8669 483.551 23.329 491.651 23.375 -8.099640      33.02435 
1 1 1 12  4  7  o 174.202 20.656 6.5585  1.4942 5.0775  2.1265  8.0026  2.0999 150.552 34.139 191.556 26.604 -41.00417      43.28134 
1 1 1 12  4  8  o 610.151 19.369 79.352  5.0048 87.927  8.6239  74.997  6.1457 638.689 31.884 592.000 24.513 46.68842       40.21800 
1 1 1 12  4  9  o 393.143 19.472 32.966  3.2419 32.241  3.9540  34.453  5.6626 387.299 24.229 397.646 33.951 -10.34720      41.71028 
1 1 1 12  4  10 o 603.738 16.798 77.629  4.2949 71.755  6.0340  83.661  6.1148 578.533 24.628 625.151 23.097 -46.61737      33.76395 
1 1 1 12  4  11 o 423.035 24.938 38.558  4.4478 38.585  6.4194  38.532  6.1686 419.112 36.533 419.420 35.050 -0.3079834     50.62756 
1 1 1 12  4  12 o 262.275 25.552 14.949  2.8021 13.916  3.8821  16.073  4.0486 249.141 37.996 268.617 36.538 -19.47633      52.71375 
1 1 1 12  4  13 o 403.941 17.265 34.861  2.9535 37.019  4.2078  32.766  4.1466 413.838 24.114 388.846 25.319 24.99152       34.96468 
1 1 1 12  4  14 o 273.766 18.277 16.108  2.1068 17.634  2.9987  14.621  2.9606 284.684 25.131 258.326 27.485 26.35712       37.24227 
1 1 1 12  4  15 o 267.476 18.523 15.404  2.0853 13.397  2.9538  17.399  2.9443 246.384 28.856 282.538 24.860 -36.15364      38.08792 
1 1 1 12  4  16 o 212.336 20.477 9.7934  1.8185 9.6085  2.6048  9.9692  2.5400 207.168 30.612 211.621 29.113 -4.453827      42.24513 
1 1 1 12  4  17 o 221.930 20.112 10.688  1.8697 11.483  2.6356  9.8823  2.6527 227.655 27.922 209.972 30.743 17.68289       41.53063 
1 1 1 12  5  0  o 804.913 16.717 137.577 5.6983 142.773 7.9940  132.208 8.1248 818.930 23.050 787.800 24.353 31.12976       33.53169 
1 1 1 12  5  1  o 1214.23 18.259 313.256 9.3889 307.281 13.150  319.468 13.409 1200.54 25.865 1224.12 25.867 -23.57507      36.57982 
1 1 1 12  5  2  o 358.603 16.641 27.309  2.5272 26.290  3.5503  28.355  3.5982 350.491 24.065 364.144 23.458 -13.65332      33.60658 
1 1 1 12  5  3  o 916.427 17.192 178.407 6.6723 172.757 9.3591  184.247 9.5151 900.293 24.547 929.844 24.163 -29.55103      34.44487 
1 1 1 12  5  4  f 446.598 23.494 42.623  4.4278 47.465  6.2881  37.862  6.2359 469.619 31.805 418.309 35.538 51.31009       47.69154 
1 1 1 12  5  5  o 738.399 23.822 116.309 7.4491 121.981 10.433  110.410 10.639 753.740 32.684 716.350 35.071 37.38965       47.94009 
1 1 1 12  5  6  f 518.843 16.466 57.228  3.6181 54.885  5.0466  59.705  5.1898 507.074 23.501 528.930 23.169 -21.85590      33.00167 
1 1 1 12  5  7  o 466.695 16.661 46.328  3.2929 45.852  4.6292  46.815  4.6852 462.637 23.707 467.475 23.744 -4.838837      33.55311 
1 1 1 12  5  8  o 583.964 19.237 72.687  4.7574 65.756  8.0805  76.364  5.8857 550.274 34.855 597.645 23.255 -47.37134      41.90049 
1 1 1 12  5  9  o 166.066 32.895 6.1602  2.2316 9.8029  3.3064  3.1125  3.0244 209.051 38.775 126.547 44.947 82.50367       59.36154 
1 1 1 12  5  10 o 626.217 16.936 83.531  4.4913 90.652  6.3490  76.399  6.3545 650.720 23.039 596.756 25.144 53.96375       34.10326 
1 1 1 12  5  11 o 474.870 24.507 48.535  4.9116 50.998  7.0412  46.200  6.8547 482.961 34.657 459.200 35.525 23.76126       49.62981 
1 1 1 12  5  12 o 482.077 23.853 49.964  4.8697 49.462  6.8055  50.492  6.9711 474.828 34.070 479.533 34.559 -4.704163      48.52936 
1 1 1 12  5  13 o 245.628 19.126 12.993  1.9738 14.418  2.8097  11.605  2.7734 257.020 26.179 229.442 29.205 27.57777       39.22104 
1 1 1 12  5  14 o 202.362 20.327 8.8709  1.7185 10.036  2.4453  7.7338  2.4155 213.437 27.707 185.732 31.857 27.70552       42.21995 
1 1 1 12  5  15 f 412.671 17.236 36.447  3.0121 37.000  4.2655  35.898  4.2542 412.874 24.505 406.526 24.830 6.347137       34.88548 
1 1 1 12  5  16 o 297.525 18.174 19.064  2.2789 20.336  3.2144  17.779  3.2315 305.055 25.104 284.338 27.167 20.71686       36.99027 
1 1 1 12  5  17 o 232.988 22.346 11.836  2.1778 11.898  2.6465  11.706  3.8326 231.926 27.480 224.036 41.937 7.889923       50.13821 
1 1 1 12  6  0  o 439.629 16.411 41.038  3.0554 36.582  4.2385  45.858  4.4086 413.697 24.299 464.178 22.427 -50.48071      33.06700 
1 1 1 12  6  1  o 1030.63 17.476 225.628 7.6275 235.943 10.696  214.957 10.880 1052.46 23.998 1004.15 25.585 48.30353       35.07870 
1 1 1 12  6  2  o 1136.10 17.949 274.240 8.6356 272.540 12.088  276.011 12.341 1130.69 25.245 1137.75 25.613 -7.063721      35.96293 
1 1 1 12  6  3  o 475.529 16.583 48.028  3.3395 48.896  4.6531  47.106  4.7958 479.137 22.932 469.520 24.201 9.617310       33.34030 
1 1 1 12  6  4  o 614.217 23.481 80.417  6.1077 92.934  8.7038  68.274  8.5730 658.618 31.206 562.278 36.195 96.34021       47.78993 
1 1 1 12  6  5  o 490.006 23.553 51.220  4.8876 44.452  6.7761  58.560  7.0565 453.014 35.607 521.342 32.118 -68.32834      47.95230 
1 1 1 12  6  6  o 355.987 16.843 26.948  2.5392 27.572  3.6076  26.335  3.5746 358.543 23.896 350.308 24.244 8.234589       34.04111 
1 1 1 12  6  7  o 540.414 16.738 62.127  3.8307 60.249  5.3578  64.092  5.4789 530.918 23.830 547.636 23.624 -16.71735      33.55544 
1 1 1 12  6  8  o 207.769 19.699 9.2861  1.7126 8.2672  2.3194  10.507  2.5395 194.051 29.123 219.514 27.951 -25.46272      40.36584 
1 1 1 12  6  9  o 460.907 24.250 45.625  4.7166 40.423  6.6721  50.822  6.6685 429.690 37.028 483.786 32.741 -54.09579      49.42706 
1 1 1 12  6  10 o 286.979 18.294 17.632  2.2117 14.098  3.0304  21.659  3.2353 254.318 28.636 316.960 24.288 -62.64136      37.54863 
1 1 1 12  6  11 o 265.236 27.163 15.305  3.0081 17.533  4.1438  12.823  4.3736 281.566 35.543 236.967 45.232 44.59877       57.52653 
1 1 1 12  6  12 o 347.174 24.682 26.074  3.6052 28.119  5.0801  24.001  5.1171 357.300 33.983 328.496 37.452 28.80334       50.57194 
1 1 1 12  6  13 o 352.038 20.575 26.672  3.0541 25.391  5.2915  27.313  3.7399 337.131 37.709 354.889 25.045 -17.75861      45.26821 
1 1 1 12  6  14 o 209.499 23.539 9.5731  2.0522 10.130  3.5667  9.2976  2.5092 209.683 41.635 204.648 29.829 5.034912       51.21765 
1 1 1 12  6  15 o 122.423 31.607 3.4115  1.6499 0.4002  3.1120  4.5890  1.9460 99.511  42.295 141.712 33.035 -42.20168      53.66690 
1 1 1 12  6  16 o 296.524 21.540 19.068  2.6864 23.842  4.8245  16.923  3.2341 325.540 35.574 277.002 27.952 48.53778       45.24137 
1 1 1 12  6  17 o 198.323 31.217 8.8526  2.5352 9.7034  3.8983  8.2291  3.3374 201.501 46.610 186.631 43.097 14.87003       63.48084 
1 1 1 12  7  0  o 419.216 18.967 37.352  3.3672 41.383  5.6821  35.170  4.1803 438.884 30.766 405.565 24.454 33.31952       39.30043 
1 1 1 12  7  1  o 1051.49 20.298 235.126 9.0384 227.602 15.368  239.104 11.175 1030.06 35.231 1059.19 24.914 -29.12427      43.14992 
1 1 1 12  7  2  o 368.892 19.724 29.018  3.0701 22.211  5.1169  32.846  3.8377 319.089 38.654 392.035 23.219 -72.94614      45.09183 
1 1 1 12  7  3  o 658.537 19.154 92.213  5.3418 86.677  9.0673  95.156  6.6108 634.784 33.851 668.283 23.359 -33.49890      41.12843 
1 1 1 12  7  4  o 868.313 19.802 160.430 7.2816 169.109 12.525  156.000 8.9494 887.537 33.323 855.078 24.714 32.45966       41.48711 
1 1 1 12  7  5  o 855.909 34.823 157.725 12.622 0.0000  0.0000  157.725 12.622 ?       ?      855.909 34.823 0.000000       34.82333 
1 1 1 12  7  6  o 846.498 19.790 152.644 7.0943 141.435 12.099  158.516 8.7577 809.546 35.292 861.409 24.007 -51.86261      42.68321 
1 1 1 12  7  7  o 256.089 27.826 14.228  2.9692 18.536  4.2197  10.003  4.1787 290.912 34.951 209.326 48.143 81.58591       59.49181 
1 1 1 12  7  8  o 445.533 19.792 42.338  3.7343 48.217  6.4479  39.371  4.5808 471.523 32.488 427.913 25.392 43.61047       41.23389 
1 1 1 12  7  9  o 294.509 26.147 18.758  3.2272 22.180  4.5961  15.430  4.5325 318.087 34.681 262.345 42.229 55.74271       54.64521 
1 1 1 12  7  10 o 171.340 25.729 6.4383  1.8093 3.4638  3.0133  8.1152  2.2625 130.259 44.968 192.079 28.694 -61.81973      53.34260 
1 1 1 12  7  11 o 184.761 32.640 7.6167  2.4605 6.4220  3.2892  9.1348  3.7077 167.200 45.319 199.248 45.004 -32.04813      63.86818 
1 1 1 12  7  12 o 242.010 38.358 13.191  3.8002 0.0000  0.0000  13.191  3.8002 ?       ?      242.010 38.358 0.000000       38.35821 
1 1 1 12  7  13 o 147.973 29.809 4.9244  1.8034 3.7774  3.1206  5.4995  2.2098 133.349 45.777 155.442 34.472 -22.09242      57.30497 
1 1 1 12  7  14 o 137.127 30.441 4.2553  1.7217 3.8831  3.0957  4.4220  2.0716 134.210 45.600 139.061 35.157 -4.850052      57.57907 
1 1 1 12  7  15 o 155.894 28.369 5.4518  1.8039 8.7767  3.1967  3.8983  2.1851 194.681 40.108 130.539 37.527 64.14232       54.92614 
1 1 1 12  7  16 o 256.629 22.993 14.359  2.4724 12.289  4.2921  15.387  3.0247 227.726 46.087 264.159 27.438 -36.43346      53.63628 
1 1 1 12  7  17 o 101.642 37.104 1.9706  2.0777 5.0447  2.9993  -0.8658 2.8810 146.916 44.427 86.263  38.553 60.65240       58.82262 
1 1 1 12  8  0  o 414.475 18.986 36.514  3.3325 36.495  5.5960  36.524  4.1482 411.658 32.360 413.416 23.794 -1.758118      40.16656 
1 1 1 12  8  1  o 865.596 19.511 159.299 7.1522 156.620 12.138  160.724 8.8521 854.901 33.527 868.539 24.067 -13.63739      41.27048 
1 1 1 12  8  2  o 536.581 18.933 61.208  4.3022 62.686  7.3744  60.445  5.2971 540.028 32.395 532.661 23.482 7.367493       40.01055 
1 1 1 12  8  3  o 387.376 24.259 32.118  3.9597 28.556  5.4215  36.190  5.7971 362.832 35.747 409.342 33.742 -46.50995      49.15670 
1 1 1 12  8  4  o 1027.90 20.410 224.931 8.8848 217.278 15.153  228.940 10.968 1004.79 35.611 1035.64 25.008 -30.84888      43.51439 
1 1 1 12  8  5  o 168.595 33.686 6.3251  2.3210 3.8254  3.1012  9.5081  3.4995 136.076 45.643 205.882 41.569 -69.80638      61.73555 
1 1 1 12  8  6  o 622.380 19.299 82.507  5.0868 81.217  8.6624  83.186  6.2845 613.008 33.495 623.983 23.782 -10.97461      41.07913 
1 1 1 12  8  7  o 416.152 24.408 37.176  4.2828 37.071  6.0074  37.285  6.1074 412.726 34.692 413.766 35.188 -1.039856      49.41422 
1 1 1 12  8  8  o 758.411 19.742 122.699 6.3407 117.997 10.882  125.116 7.8018 738.008 34.820 764.461 24.099 -26.45282      42.34566 
1 1 1 12  8  9  o 224.343 22.650 10.875  2.1225 9.3584  3.6083  11.677  2.6245 202.804 43.328 231.550 27.289 -28.74570      51.20567 
1 1 1 12  8  10 o 319.442 20.899 21.905  2.8116 16.872  4.7899  24.551  3.4729 273.993 42.669 337.440 24.469 -63.44684      49.18699 
1 1 1 12  8  11 o 262.587 27.718 15.034  3.0357 11.698  4.0556  19.285  4.5781 226.273 43.907 294.549 37.556 -68.27600      57.77799 
1 1 1 12  8  12 o 475.118 34.849 49.720  6.9630 0.0000  0.0000  49.720  6.9630 ?       ?      475.118 34.849 0.000000       34.84883 
1 1 1 12  8  13 o 142.963 28.461 4.5853  1.6626 5.6531  3.0173  4.1198  1.9923 156.276 43.821 134.438 34.743 21.83829       55.92274 
1 1 1 12  8  14 f 361.125 20.911 28.111  3.1843 26.340  5.4776  29.015  3.9135 342.441 38.435 365.370 25.451 -22.92892      46.09799 
1 1 1 12  8  15 o 585.932 20.168 73.838  5.0045 78.383  8.6580  71.557  6.1328 593.994 34.568 574.315 25.215 19.67902       42.78719 
1 1 1 12  8  16 o 144.398 30.218 4.7413  1.7885 4.9019  3.2071  4.6688  2.1547 145.524 46.267 142.013 35.829 3.511719       58.51813 
1 1 1 12  8  17 o 135.223 37.618 4.2347  2.2328 7.1259  3.0433  0.8642  3.2858 173.853 41.841 104.939 43.968 68.91322       60.69460 
1 1 1 12  9  0  o 700.437 18.884 104.282 5.6016 96.616  9.4060  108.496 6.9731 671.559 33.073 713.778 23.068 -42.21838      40.32351 
1 1 1 12  9  1  o 628.842 18.944 84.063  5.0449 77.715  8.4611  87.564  6.2841 601.269 33.360 641.186 23.143 -39.91681      40.60116 
1 1 1 12  9  2  o 215.066 22.650 9.9584  2.0319 12.904  3.4563  8.4030  2.5118 242.877 34.580 195.751 31.358 47.12598       46.68082 
1 1 1 12  9  3  o 315.130 24.729 21.312  3.2737 21.870  4.5452  20.712  4.7190 317.316 34.373 308.110 36.900 9.205750       50.42961 
1 1 1 12  9  4  o 796.527 24.166 135.397 8.1516 0.0000  0.0000  135.397 8.1516 ?       ?      796.527 24.166 0.000000       24.16556 
1 1 1 12  9  5  o 311.272 25.786 20.856  3.3686 22.975  4.6210  18.453  4.9209 324.920 34.091 288.849 41.413 36.07037       53.63944 
1 1 1 12  9  6  o 345.082 20.188 25.469  2.9375 20.089  4.9963  28.311  3.6314 301.622 40.110 363.220 23.738 -61.59854      46.60789 
1 1 1 12  9  7  o 262.982 40.016 15.376  4.3161 0.0000  0.0000  15.376  4.3161 ?       ?      262.982 40.016 0.000000       40.01646 
1 1 1 12  9  8  o 295.110 21.880 18.713  2.7150 14.913  4.5039  20.881  3.4027 257.762 42.758 310.918 26.084 -53.15619      50.08576 
1 1 1 12  9  9  o 225.225 22.948 10.968  2.1582 11.029  3.7064  10.936  2.6546 221.142 41.089 223.617 28.694 -2.474289      50.11647 
1 1 1 12  9  10 o 412.052 24.502 36.563  4.2563 37.180  5.8935  35.891  6.1536 412.362 34.053 404.225 36.335 8.137451       49.79824 
1 1 1 12  9  11 o 502.659 19.800 54.042  4.2149 52.092  7.2020  55.058  5.1980 487.144 35.146 506.095 24.253 -18.95062      42.70185 
1 1 1 12  9  12 o 328.742 37.026 24.081  5.0650 0.0000  0.0000  24.081  5.0650 ?       ?      328.742 37.026 0.000000       37.02589 
1 1 1 12  9  13 o 381.975 20.262 31.387  3.2659 29.981  5.5520  32.131  4.0385 367.074 36.186 384.962 24.905 -17.88760      43.92789 
1 1 1 12  9  14 o 422.908 20.141 38.402  3.6072 44.282  6.2299  35.436  4.4243 447.829 33.084 403.613 26.023 44.21603       42.09175 
1 1 1 12  9  15 o 618.017 20.095 82.168  5.2594 82.246  8.9430  82.127  6.5028 607.904 34.884 615.241 24.958 -7.336609      42.89291 
1 1 1 12  9  16 o 370.335 20.675 29.659  3.2295 36.120  5.5469  26.346  3.9722 402.680 32.812 346.272 27.309 56.40802       42.69029 
1 1 1 12  9  17 f 456.908 25.380 45.556  4.8916 47.879  6.8069  43.076  7.0342 462.366 35.023 435.992 38.492 26.37384       52.04105 
1 1 1 12  10 0  o 770.242 19.060 126.124 6.2172 118.502 10.423  130.334 7.7462 743.633 33.096 782.207 23.384 -38.57391      40.52343 
1 1 1 12  10 1  o 1404.39 22.034 419.914 13.105 410.063 22.308  425.105 16.193 1380.33 38.162 1411.08 27.098 -30.75049      46.80405 
1 1 1 12  10 2  o 316.720 20.184 21.428  2.6932 21.555  4.4574  21.356  3.3798 315.166 33.931 315.352 25.527 -0.1853027     42.46093 
1 1 1 12  10 3  o 576.907 23.130 70.956  5.6511 70.197  7.8392  71.777  8.1537 571.024 32.552 577.159 33.503 -6.134277      46.71295 
1 1 1 12  10 4  o 615.208 23.774 80.776  6.1939 0.0000  0.0000  80.776  6.1939 ?       ?      615.208 23.774 0.000000       23.77369 
1 1 1 12  10 5  o 597.987 23.407 76.360  5.9276 72.428  8.2091  80.644  8.5682 578.879 33.631 611.071 33.235 -32.19165      47.28196 
1 1 1 12  10 6  o 218.562 24.147 10.336  2.1977 8.7906  3.7654  11.134  2.7065 196.484 46.054 225.939 28.952 -29.45476      54.39865 
1 1 1 12  10 7  o 245.155 41.107 13.446  4.1167 0.0000  0.0000  13.446  4.1167 ?       ?      245.155 41.107 0.000000       41.10685 
1 1 1 12  10 8  o 381.411 20.406 31.147  3.2842 27.250  5.4357  33.388  4.1215 352.160 37.001 393.907 24.834 -41.74689      44.56228 
1 1 1 12  10 9  o 326.885 20.693 22.922  2.8498 23.068  4.8038  22.842  3.5400 323.914 35.607 325.128 25.926 -1.213135      44.04553 
1 1 1 12  10 10 o 252.967 27.074 13.931  2.8554 14.460  3.9346  13.341  4.1502 254.686 37.612 243.051 41.830 11.63519       56.25289 
1 1 1 12  10 11 o 509.801 24.451 55.917  5.2790 0.0000  0.0000  55.917  5.2790 ?       ?      509.801 24.451 0.000000       24.45145 
1 1 1 12  10 12 o 396.660 24.788 34.070  4.1430 30.977  5.7733  37.354  5.9488 373.090 37.029 411.268 34.474 -38.17792      50.59233 
1 1 1 12  10 13 o 494.249 19.895 52.398  4.1643 49.074  7.1372  54.113  5.1275 470.246 36.115 500.744 24.179 -30.49728      43.46201 
1 1 1 12  10 14 o 560.522 19.866 67.460  4.7157 66.580  8.0966  67.912  5.8012 547.920 35.077 560.408 24.444 -12.48767      42.75414 
1 1 1 12  10 15 f 439.946 20.309 41.672  3.7837 45.443  6.4521  39.695  4.6713 451.675 33.980 426.423 25.992 25.25189       42.78091 
1 1 1 12  10 16 o 79.938  30.789 0.9848  1.4714 1.6221  2.5700  0.6741  1.7946 103.014 40.405 81.345  33.124 21.66946       52.24726 
1 1 1 12  11 0  o 844.303 19.183 151.570 6.8589 142.270 11.450  156.776 8.5661 814.633 33.188 857.771 23.581 -43.13843      40.71295 
1 1 1 12  11 1  o 879.930 19.487 164.677 7.2617 168.068 12.233  162.832 9.0236 885.425 32.623 873.896 24.383 11.52954       40.72817 
1 1 1 12  11 2  o 767.242 23.287 125.482 7.5664 119.552 10.515  131.849 10.896 746.308 33.271 783.893 32.822 -37.58496      46.73559 
1 1 1 12  11 3  o 370.749 19.773 29.340  3.0933 30.251  5.1702  28.832  3.8603 373.864 32.994 366.638 25.012 7.226685       41.40271 
1 1 1 12  11 4  o 637.732 23.800 86.835  6.4276 0.0000  0.0000  86.835  6.4276 ?       ?      637.732 23.800 0.000000       23.79962 
1 1 1 12  11 5  o 831.596 24.144 147.816 8.5030 150.597 11.804  144.816 12.259 835.843 33.348 818.744 35.355 17.09979       48.60126 
1 1 1 12  11 6  o 838.056 19.693 149.737 6.9892 150.316 11.935  149.435 8.6221 834.170 33.786 835.700 24.362 -1.530273      41.65366 
1 1 1 12  11 7  o 365.189 36.106 29.206  5.5108 0.0000  0.0000  29.206  5.5108 ?       ?      365.189 36.106 0.000000       36.10603 
1 1 1 12  11 8  o 631.269 19.438 85.039  5.1966 82.036  8.8170  86.637  6.4326 614.264 34.027 635.920 23.886 -21.65546      41.57345 
1 1 1 12  11 9  o 94.715  33.133 1.7432  1.6385 -0.3346 2.7574  2.8773  2.0371 89.510  38.940 115.709 36.884 -26.19809      53.63562 
1 1 1 12  11 10 o 313.599 35.435 21.703  4.6235 21.703  4.6235  0.0000  0.0000 313.599 35.435 ?       ?      0.000000       35.43547 
1 1 1 12  11 11 f 392.112 25.305 33.270  4.1796 0.0000  0.0000  33.270  4.1796 ?       ?      392.112 25.305 0.000000       25.30482 
1 1 1 12  11 12 o 134.750 33.118 4.1306  1.8765 6.5605  2.8736  2.3242  2.4776 168.453 40.729 111.026 40.520 57.42716       57.45197 
1 1 1 12  11 13 o 520.007 19.713 58.002  4.3411 53.563  7.3868  60.344  5.3654 491.422 35.739 528.784 23.960 -37.36301      43.02746 
1 1 1 12  11 14 o 312.572 21.216 21.122  2.7918 23.469  4.8787  19.980  3.4043 323.474 36.237 302.082 26.892 21.39206       45.12540 
1 1 1 12  11 15 o 510.883 20.046 56.195  4.3371 50.952  7.3885  58.951  5.3572 475.946 36.947 521.260 24.268 -45.31461      44.20411 
1 1 1 12  11 16 o 257.297 22.526 14.432  2.4298 14.590  4.1474  14.350  2.9982 251.170 40.357 254.480 28.300 -3.310226      49.29055 
1 1 1 12  12 0  o 589.504 18.540 73.881  4.6286 70.735  7.6146  75.724  5.8290 573.831 31.454 596.157 23.088 -22.32581      39.01835 
1 1 1 12  12 1  o 589.129 18.611 73.802  4.6432 70.880  7.7558  75.434  5.7968 574.122 32.027 594.948 23.007 -20.82568      39.43436 
1 1 1 12  12 2  o 357.452 23.756 27.372  3.5757 30.405  4.8954  23.902  5.2353 375.343 31.077 330.812 38.064 44.53088       49.13864 
1 1 1 12  12 3  o 443.049 23.961 42.021  4.4790 0.0000  0.0000  42.021  4.4790 ?       ?      443.049 23.961 0.000000       23.96095 
1 1 1 12  12 4  o 354.409 19.866 26.841  2.9697 24.259  4.9468  28.296  3.7133 333.453 35.580 363.114 24.287 -29.66125      43.07883 
1 1 1 12  12 5  o 384.373 19.484 31.565  3.1612 38.008  5.4606  28.317  3.8769 419.183 30.980 362.854 25.389 56.32883       40.05484 
1 1 1 12  12 6  o 478.190 19.396 48.755  3.9279 55.675  6.6584  45.061  4.8645 507.348 31.140 457.973 25.178 49.37531       40.04576 
1 1 1 12  12 7  o 414.380 24.756 36.930  4.3244 0.0000  0.0000  36.930  4.3244 ?       ?      414.380 24.756 0.000000       24.75553 
1 1 1 12  12 8  o 232.797 23.474 11.723  2.2827 12.590  3.7860  11.228  2.8612 237.212 39.047 226.087 30.675 11.12456       49.65506 
1 1 1 12  12 9  o 262.051 22.205 14.805  2.4411 14.978  4.1384  14.713  3.0230 258.966 38.940 259.897 27.903 -0.9307861     47.90502 
1 1 1 12  12 10 o 370.360 34.770 30.169  5.3896 30.169  5.3896  0.0000  0.0000 370.360 34.770 ?       ?      0.000000       34.77002 
1 1 1 12  12 11 o 229.705 43.893 12.136  4.1142 0.0000  0.0000  12.136  4.1142 ?       ?      229.705 43.893 0.000000       43.89305 
1 1 1 12  12 12 o 439.005 24.928 41.762  4.6154 40.480  6.3705  43.178  6.6961 427.225 35.533 440.953 36.177 -13.72787      50.70833 
1 1 1 12  12 13 o 312.169 20.850 21.031  2.7405 22.481  4.7226  20.294  3.3651 317.214 35.780 304.935 26.316 12.27917       44.41542 
1 1 1 12  12 14 o 255.054 22.729 14.151  2.4293 14.236  4.1644  14.107  2.9908 248.776 40.953 252.790 28.431 -4.014542      49.85450 
1 1 1 12  12 15 o 276.631 21.983 16.638  2.5541 20.141  4.5085  14.982  3.0993 298.179 36.463 260.058 28.615 38.12064       46.35101 
1 1 1 12  12 16 o 349.181 21.018 26.415  3.0936 27.550  5.3781  25.853  3.7818 348.650 36.990 343.298 26.211 5.351410       45.33509 
1 1 1 12  13 0  f 340.040 19.090 24.669  2.7379 21.745  4.4632  26.434  3.4669 316.528 33.819 351.378 23.433 -34.84979      41.14396 
1 1 1 12  13 1  o 124.162 29.895 3.4326  1.5531 2.9173  2.3943  3.8070  2.0406 119.600 40.105 130.916 35.784 -11.31649      53.74853 
1 1 1 12  13 2  o 539.674 22.494 62.101  5.1409 67.555  7.1216  56.166  7.4288 560.563 30.110 509.711 34.620 50.85184       45.88198 
1 1 1 12  13 3  o 651.385 23.473 90.585  6.4751 0.0000  0.0000  90.585  6.4751 ?       ?      651.385 23.473 0.000000       23.47293 
1 1 1 12  13 4  o 265.639 26.344 15.254  2.9245 14.996  3.9446  15.567  4.3579 260.892 36.718 264.958 40.091 -4.066101      54.36510 
1 1 1 12  13 5  o 337.983 20.175 24.448  2.8745 19.245  4.8322  27.297  3.5761 294.963 39.692 356.483 23.825 -61.52081      46.29315 
1 1 1 12  13 6  f 443.706 19.484 41.992  3.6612 42.860  6.2119  41.530  4.5320 444.030 33.277 439.692 24.435 4.337891       41.28440 
1 1 1 12  13 7  o 531.006 23.803 60.404  5.3526 0.0000  0.0000  60.404  5.3526 ?       ?      531.006 23.803 0.000000       23.80261 
1 1 1 12  13 8  o 277.112 21.430 16.519  2.4954 19.335  4.2017  14.984  3.1016 296.637 34.065 262.263 28.379 34.37329       44.33667 
1 1 1 12  13 9  o 264.521 22.234 15.091  2.4676 9.6401  4.0379  18.340  3.1174 204.188 47.578 290.997 25.555 -86.80916      54.00711 
1 1 1 12  13 10 o 545.248 33.685 65.078  7.7400 65.078  7.7400  0.0000  0.0000 545.248 33.685 ?       ?      0.000000       33.68473 
1 1 1 12  13 11 o 367.170 37.646 30.056  5.7709 0.0000  0.0000  30.056  5.7709 ?       ?      367.170 37.646 0.000000       37.64565 
1 1 1 12  13 12 o 357.424 20.871 27.534  3.1454 22.485  5.3041  30.272  3.9064 315.102 40.700 373.504 24.838 -58.40189      47.68009 
1 1 1 12  13 13 o 482.044 19.743 49.880  4.0304 45.100  6.8092  52.458  5.0005 450.068 36.027 492.764 23.962 -42.69614      43.26851 
1 1 1 12  13 14 o 129.372 31.671 3.8257  1.7212 5.3593  2.8694  2.9638  2.1512 151.327 42.840 116.283 37.977 35.04373       57.24963 
1 1 1 12  13 15 o 432.415 20.167 40.304  3.6931 34.368  6.3126  43.393  4.5537 388.565 38.884 446.359 24.180 -57.79486      45.78920 
1 1 1 12  13 16 o 345.086 26.206 26.130  3.8012 31.198  5.4126  21.197  5.3394 372.523 34.709 301.840 42.985 70.68295       55.24881 
1 1 1 12  14 0  o 653.239 18.296 90.747  5.0614 75.212  8.2603  100.086 6.4045 590.918 33.142 685.359 22.066 -94.44061      39.81596 
1 1 1 12  14 1  o 219.537 25.963 10.439  2.3671 8.8899  3.1388  12.481  3.6046 199.679 38.514 237.925 36.975 -38.24609      53.38955 
1 1 1 12  14 2  o 664.227 18.770 93.904  5.2799 79.587  8.6949  102.268 6.6454 607.061 33.957 692.359 22.664 -85.29773      40.82618 
1 1 1 12  14 3  o 524.930 23.576 58.862  5.2409 0.0000  0.0000  58.862  5.2409 ?       ?      524.930 23.576 0.000000       23.57570 
1 1 1 12  14 4  o 714.857 23.372 109.227 7.0756 107.011 9.8039  111.637 10.222 704.357 32.867 719.138 33.564 -14.78143      46.97669 
1 1 1 12  14 5  o 676.215 19.176 97.488  5.4915 95.660  9.2539  98.482  6.8226 665.477 32.836 678.419 23.747 -12.94293      40.52304 
1 1 1 12  14 6  o 352.491 19.970 26.603  2.9688 24.982  5.0810  27.443  3.6582 337.314 36.131 357.087 24.336 -19.77341      43.56231 
1 1 1 12  14 7  o 555.898 23.974 66.240  5.6440 0.0000  0.0000  66.240  5.6440 ?       ?      555.898 23.974 0.000000       23.97433 
1 1 1 12  14 8  o 450.936 19.467 43.427  3.7175 37.928  6.1637  46.572  4.6606 416.004 35.320 465.434 23.724 -49.43008      42.54796 
1 1 1 12  14 9  o 245.668 27.629 13.175  2.8246 14.592  3.9064  11.622  4.0891 255.796 37.147 225.368 44.423 30.42757       57.90770 
1 1 1 12  14 10 o 281.788 26.543 17.290  3.1301 18.800  4.2977  15.584  4.5679 290.867 35.635 261.779 42.674 29.08783       55.59666 
1 1 1 12  14 11 o 644.647 35.630 91.826  9.6892 0.0000  0.0000  91.826  9.6892 ?       ?      644.647 35.630 0.000000       35.62968 
1 1 1 12  14 12 o 595.902 19.743 76.193  4.9824 74.603  8.4077  77.054  6.1855 581.083 34.318 597.162 24.459 -16.07910      42.14260 
1 1 1 12  14 13 o 391.906 20.422 33.104  3.3776 40.579  5.7992  29.266  4.1551 428.645 32.182 366.004 26.998 62.64032       42.00644 
1 1 1 12  14 14 o 272.441 22.168 16.138  2.5355 14.915  4.2045  16.836  3.1785 254.404 40.374 276.413 27.519 -22.00931      48.86000 
1 1 1 12  14 15 o 375.545 20.756 30.531  3.2882 29.444  5.5391  31.123  4.0861 360.520 36.795 376.982 25.749 -16.46234      44.90978 
1 1 1 12  14 16 o 203.118 31.002 9.2956  2.5823 10.875  3.5374  7.4942  3.7782 216.041 40.142 175.755 48.949 40.28526       63.30348 
1 1 1 12  15 0  o 537.914 18.220 61.549  4.1507 47.718  6.7337  70.025  5.2711 469.794 34.077 573.209 21.714 -103.4147      40.40757 
1 1 1 12  15 1  o 491.138 22.141 51.442  4.6052 44.179  6.2310  60.186  6.8366 452.111 32.766 528.665 30.668 -76.55362      44.87922 
1 1 1 12  15 2  o 285.695 25.339 17.590  3.0339 0.0000  0.0000  17.590  3.0339 ?       ?      285.695 25.339 0.000000       25.33873 
1 1 1 12  15 3  o 382.197 18.997 31.119  3.0748 33.078  5.1031  30.003  3.8526 390.889 31.084 373.758 24.475 17.13101       39.56349 
1 1 1 12  15 4  o 914.866 23.961 179.082 9.2834 164.544 12.774  195.356 13.515 872.066 34.588 950.805 33.565 -78.73901      48.19674 
1 1 1 12  15 5  o 480.847 19.132 49.310  3.8960 52.731  6.6818  47.548  4.7956 493.060 32.177 470.587 24.145 22.47330       40.22815 
1 1 1 12  15 6  o 729.059 23.372 113.840 7.2160 114.981 10.120  112.659 10.292 728.712 32.794 720.865 33.713 7.847229       47.03201 
1 1 1 12  15 7  o 485.309 19.405 50.289  3.9881 49.561  6.8160  50.668  4.9179 476.591 33.994 486.095 23.890 -9.504089      41.54854 
1 1 1 12  15 8  o 393.137 19.830 33.112  3.2909 33.896  5.7585  32.732  4.0102 393.042 34.961 389.701 24.423 3.341187       42.64678 
1 1 1 12  15 9  o 565.976 23.558 68.811  5.6466 63.492  7.8934  74.386  8.0809 538.116 34.824 583.705 32.824 -45.58942      47.85505 
1 1 1 12  15 10 o 275.246 40.265 17.117  4.5547 0.0000  0.0000  17.117  4.5547 ?       ?      275.246 40.265 0.000000       40.26517 
1 1 1 12  15 11 o 250.314 27.971 13.769  2.9144 11.585  3.9360  16.420  4.3361 223.857 43.082 269.269 39.174 -45.41171      58.22955 
1 1 1 12  15 12 o 145.747 30.132 4.7997  1.7984 0.7225  2.9595  7.1868  2.2645 100.207 41.835 178.911 31.011 -78.70424      52.07561 
1 1 1 12  15 13 o 160.359 28.687 5.7698  1.8767 6.6863  3.1300  5.2554  2.3449 168.576 43.538 150.787 36.998 17.78825       57.13539 
1 1 1 12  15 14 o 313.322 21.623 21.304  2.8515 15.649  4.7122  24.571  3.5818 258.061 44.739 335.085 25.430 -77.02441      51.46138 
1 1 1 12  15 15 o 181.603 26.323 7.3396  1.9654 4.3106  3.2181  9.1415  2.4821 137.990 46.494 201.733 29.964 -63.74213      55.31293 
1 1 1 12  16 0  o 617.766 21.818 81.378  5.7079 78.931  7.7773  84.234  8.4034 606.450 30.282 625.280 31.840 -18.83020      43.94106 
1 1 1 12  16 1  o 565.071 21.818 68.116  5.2212 66.352  7.1393  70.144  7.6553 554.949 30.495 570.200 31.829 -15.25018      44.08017 
1 1 1 12  16 2  o 609.373 22.910 79.321  5.9123 0.0000  0.0000  79.321  5.9123 ?       ?      609.373 22.910 0.000000       22.91006 
1 1 1 12  16 3  o 426.960 18.539 38.839  3.3521 33.482  5.4361  42.126  4.2579 392.504 33.011 443.402 22.752 -50.89755      40.09190 
1 1 1 12  16 4  o 695.494 18.817 103.124 5.5421 103.532 9.3628  102.903 6.8762 692.466 31.927 693.461 23.414 -0.9942017     39.59274 
1 1 1 12  16 5  o 552.095 19.125 65.029  4.4715 59.418  7.4432  68.198  5.5934 522.581 33.814 564.334 23.404 -41.75348      41.12331 
1 1 1 12  16 6  o 422.575 23.425 38.379  4.1757 38.208  5.8751  38.554  5.9359 418.453 33.433 420.278 33.633 -1.824768      47.42253 
1 1 1 12  16 7  o 892.665 19.729 170.247 7.4584 177.561 12.565  166.268 9.2676 904.552 32.802 879.864 24.872 24.68805       41.16496 
1 1 1 12  16 8  o 252.548 22.361 13.776  2.3669 18.850  4.1215  11.279  2.8911 292.432 33.910 226.165 31.001 66.26743       45.94491 
1 1 1 12  16 9  o 343.303 25.163 25.522  3.6328 27.635  5.1600  23.447  5.1155 353.791 34.894 324.404 37.953 29.38727       51.55591 
1 1 1 12  16 10 o 196.771 31.907 8.6574  2.5677 0.0000  0.0000  8.6574  2.5677 ?       ?      196.771 31.907 0.000000       31.90651 
1 1 1 12  16 11 o 369.366 25.184 29.652  3.9159 28.001  5.4556  31.405  5.6242 353.713 36.967 375.379 35.813 -21.66623      51.46988 
1 1 1 12  16 12 o 573.506 19.469 70.604  4.7284 65.911  7.9758  73.147  5.8715 545.147 34.728 581.778 23.831 -36.63062      42.11887 
1 1 1 12  16 13 o 474.312 19.949 48.403  4.0071 44.445  6.6869  50.621  5.0053 445.577 35.738 482.506 24.577 -36.92889      43.37310 
1 1 1 12  16 14 o 181.988 27.842 7.4057  2.0776 2.2835  3.3930  10.478  2.6277 118.134 46.398 216.512 29.421 -98.37789      54.93936 
1 1 1 12  16 15 o 256.064 22.660 14.321  2.4319 14.850  4.1005  14.034  3.0205 253.363 39.505 251.093 28.935 2.269531       48.96786 
1 1 1 12  17 0  o 307.644 23.779 20.338  3.0739 18.792  4.1268  22.266  4.6071 293.409 33.832 319.481 34.605 -26.07132      48.39558 
1 1 1 12  17 1  o 606.359 22.865 78.539  5.8716 0.0000  0.0000  78.539  5.8716 ?       ?      606.359 22.865 0.000000       22.86550 
1 1 1 12  17 2  f 514.360 18.237 56.356  3.9726 52.539  6.5016  58.631  5.0184 492.843 31.313 523.796 22.623 -30.95346      38.63063 
1 1 1 12  17 3  o 527.090 22.232 59.385  4.9627 57.409  6.7994  61.637  7.2597 514.980 31.326 533.307 32.296 -18.32654      44.99285 
1 1 1 12  17 4  o 241.414 21.987 12.562  2.2232 7.9261  3.7961  14.983  2.7428 185.711 47.940 263.210 24.902 -77.49959      54.02172 
1 1 1 12  17 5  o 92.066  32.753 1.5974  1.6066 1.6483  2.7168  1.5700  1.9923 106.995 41.661 96.680  36.145 10.31497       55.15525 
1 1 1 12  17 6  o 210.999 29.780 9.7950  2.5871 10.384  3.6989  9.2314  3.6197 213.714 42.366 200.855 43.790 12.85953       60.92936 
1 1 1 12  17 7  o 788.836 19.437 132.965 6.4934 136.950 10.966  130.813 8.0580 794.078 32.608 780.404 24.382 13.67346       40.71580 
1 1 1 12  17 8  o 333.198 24.862 24.016  3.4829 25.806  4.9833  22.307  4.8698 342.063 34.889 317.016 36.967 25.04630       50.83135 
1 1 1 12  17 9  o 775.481 19.558 128.789 6.4230 114.987 10.794  136.355 7.9921 723.668 35.220 795.832 23.714 -72.16473      42.45896 
1 1 1 12  17 10 o 423.815 35.986 39.932  6.3977 0.0000  0.0000  39.932  6.3977 ?       ?      423.815 35.986 0.000000       35.98594 
1 1 1 12  17 11 o 302.438 21.315 19.775  2.7126 18.574  4.5977  20.416  3.3596 286.348 38.923 305.746 26.199 -19.39804      46.91893 
1 1 1 12  17 12 o 314.323 21.231 21.369  2.8096 23.761  4.8527  20.162  3.4459 325.517 35.793 303.279 27.116 22.23822       44.90477 
1 1 1 12  17 13 o 300.995 21.621 19.661  2.7377 17.166  4.6486  20.985  3.3874 272.418 41.615 309.342 26.101 -36.92477      49.12323 
1 1 1 12  17 14 o 137.728 30.373 4.3394  1.7240 4.9313  3.0175  4.0526  2.1005 144.912 44.707 132.121 36.385 12.79163       57.64226 
1 1 1 12  17 15 o 324.237 21.417 22.840  2.9243 18.696  4.8096  25.270  3.6833 283.639 41.250 339.210 25.835 -55.57089      48.67210 
1 1 1 12  18 0  o 415.117 22.345 36.906  3.9138 36.049  5.3011  37.933  5.8027 408.158 30.898 418.108 33.041 -9.949738      45.23687 
1 1 1 12  18 1  o 199.252 30.307 8.7307  2.4767 0.0000  0.0000  8.7307  2.4767 ?       ?      199.252 30.307 0.000000       30.30695 
1 1 1 12  18 2  o 338.418 18.820 24.490  2.6866 18.345  4.3502  28.279  3.4158 288.581 36.406 363.040 22.326 -74.45889      42.70616 
1 1 1 12  18 3  f 116.424 35.542 2.9612  1.9129 4.3074  2.6536  1.5048  2.7600 139.200 41.721 106.179 41.801 33.02096       59.05854 
1 1 1 12  18 4  o 533.551 18.424 60.722  4.1629 53.088  6.8845  65.123  5.2267 493.854 33.109 551.591 22.375 -57.73666      39.96109 
1 1 1 12  18 5  o 832.721 19.132 148.055 6.7467 136.112 11.235  154.791 8.4373 791.679 33.511 849.688 23.448 -58.00946      40.90002 
1 1 1 12  18 6  o 246.129 38.487 13.562  3.8803 0.0000  0.0000  13.562  3.8803 ?       ?      246.129 38.487 0.000000       38.48745 
1 1 1 12  18 7  o 574.746 19.008 70.590  4.6265 77.967  7.8343  66.639  5.7329 598.780 31.001 556.820 24.312 41.95966       39.39711 
1 1 1 12  18 8  o 311.561 25.467 21.059  3.3308 15.684  4.6912  26.523  4.7299 262.233 43.787 347.419 32.527 -85.18597      54.54596 
1 1 1 12  18 9  o 276.269 26.381 16.660  3.0490 0.0000  0.0000  16.660  3.0490 ?       ?      276.269 26.381 0.000000       26.38095 
1 1 1 12  18 10 o 246.320 26.798 13.316  2.7504 13.189  3.7288  13.466  4.0731 241.128 37.755 242.243 41.178 -1.115265      55.86600 
1 1 1 12  18 11 o 261.778 22.433 14.882  2.4629 17.380  4.4425  13.773  2.9593 276.585 39.011 249.862 28.475 26.72278       48.29808 
1 1 1 12  18 12 o 129.464 31.963 3.8333  1.7419 2.1101  3.1557  4.5885  2.0890 114.793 44.843 141.108 35.102 -26.31513      56.94785 
1 1 1 12  18 13 o 421.786 20.114 38.356  3.5928 28.996  6.0603  43.428  4.4613 355.017 41.067 446.703 23.668 -91.68588      47.39863 
1 1 1 12  18 14 o 213.135 25.691 10.052  2.2722 11.193  3.9697  9.4962  2.7710 216.527 44.770 204.226 33.178 12.30130       55.72341 
1 1 1 12  18 15 o 239.044 28.658 12.735  2.8433 9.2073  4.0542  16.150  3.9888 193.900 49.271 265.819 36.388 -71.91830      61.25167 
1 1 1 12  19 0  o 366.580 33.696 29.285  5.1726 0.0000  0.0000  29.285  5.1726 ?       ?      366.580 33.696 0.000000       33.69643 
1 1 1 12  19 1  o 248.885 20.739 13.316  2.1660 12.579  3.4887  13.778  2.7630 238.358 35.657 252.084 26.268 -13.72551      44.28768 
1 1 1 12  19 2  o 129.507 30.294 3.7599  1.6319 4.3531  2.7690  3.4443  2.0199 140.179 42.754 124.521 36.163 15.65822       55.99755 
1 1 1 12  19 3  o 246.361 21.311 13.072  2.2015 15.732  3.7088  11.625  2.7357 267.412 33.484 230.597 28.629 36.81477       44.05448 
1 1 1 12  19 4  o 144.947 27.843 4.6728  1.6470 5.5092  2.8848  4.2684  2.0060 155.551 42.559 137.487 34.507 18.06357       54.79047 
1 1 1 12  19 5  o 522.630 18.531 58.312  4.1014 54.579  6.8511  60.397  5.1203 500.434 32.503 530.787 22.779 -30.35315      39.69077 
1 1 1 12  19 6  o 113.378 42.844 2.1694  2.8149 0.0000  0.0000  2.1694  2.8149 ?       ?      113.378 42.844 0.000000       42.84395 
1 1 1 12  19 7  o 248.687 21.763 13.361  2.2690 17.479  3.9218  11.289  2.7818 281.229 33.594 226.402 29.732 54.82707       44.86192 
1 1 1 12  19 8  o 276.362 25.379 16.618  2.9371 20.511  4.1716  12.792  4.1360 304.692 32.849 236.152 42.938 68.53998       54.06210 
1 1 1 12  19 9  o 495.186 23.619 52.912  4.9530 0.0000  0.0000  52.912  4.9530 ?       ?      495.186 23.619 0.000000       23.61892 
1 1 1 12  19 10 o 250.209 27.694 13.780  2.8852 13.701  4.0669  13.861  4.0938 244.338 40.738 245.781 40.760 -1.442474      57.62758 
1 1 1 12  19 11 o 109.643 36.560 2.5732  1.9898 3.3718  2.6493  1.5397  3.0137 124.811 42.185 107.942 43.290 16.86932       60.44482 
1 1 1 12  19 12 f 123.104 32.295 3.4714  1.7047 5.2218  3.0147  2.6487  2.0668 149.208 44.412 110.995 37.261 38.21371       57.97235 
1 1 1 12  19 13 o 132.178 31.951 4.0233  1.7687 3.9496  2.8235  4.0709  2.2691 131.966 43.529 132.361 38.297 -0.3948517     57.97814 
1 1 1 12  19 14 o 243.312 22.757 12.959  2.3176 9.9856  3.8189  14.692  2.9160 203.699 45.426 257.498 27.150 -53.79903      52.92113 
1 1 1 12  20 0  o 163.186 41.795 6.0546  2.9011 0.0000  0.0000  6.0546  2.9011 ?       ?      163.186 41.795 0.000000       41.79501 
1 1 1 12  20 1  o 349.218 22.953 26.218  3.3757 22.300  4.6374  30.633  4.9232 318.703 34.932 375.299 31.260 -56.59656      46.87701 
1 1 1 12  20 2  f 262.210 24.599 14.876  2.6996 12.335  3.6041  18.125  4.0748 235.116 37.454 287.028 34.196 -51.91200      50.71601 
1 1 1 12  20 3  o 300.942 19.788 19.432  2.5079 16.301  4.0477  21.382  3.1950 271.235 36.138 314.769 24.153 -43.53403      43.46631 
1 1 1 12  20 4  o 165.589 26.740 6.0477  1.8113 8.4116  3.0876  4.8074  2.2365 192.575 39.192 145.584 36.379 46.99139       53.47395 
1 1 1 12  20 5  o 364.065 19.181 28.401  2.9469 25.500  4.8547  30.094  3.7083 340.530 34.123 373.687 23.553 -33.15701      41.46243 
1 1 1 12  20 6  o 247.435 38.520 13.753  3.9050 0.0000  0.0000  13.753  3.9050 ?       ?      247.435 38.520 0.000000       38.51983 
1 1 1 12  20 7  o 301.056 24.401 19.645  3.0842 19.120  4.2617  20.222  4.4692 293.464 34.980 301.640 35.677 -8.175690      49.96484 
1 1 1 12  20 8  o 349.697 24.852 26.544  3.6564 0.0000  0.0000  26.544  3.6564 ?       ?      349.697 24.852 0.000000       24.85160 
1 1 1 12  20 9  o 216.525 43.802 10.934  3.8785 0.0000  0.0000  10.934  3.8785 ?       ?      216.525 43.802 0.000000       43.80170 
1 1 1 12  20 10 o 180.870 25.152 7.2185  1.8744 3.5517  3.1700  9.1896  2.3242 130.201 46.041 203.689 27.660 -73.48848      53.71093 
1 1 1 12  20 11 o 304.328 25.888 20.273  3.3047 22.020  4.6587  18.505  4.6886 312.770 35.818 284.335 40.047 28.43506       53.72777 
1 1 1 12  20 12 o 119.575 33.115 3.2779  1.7343 3.0998  3.0590  3.3623  2.1054 123.518 45.032 121.583 37.317 1.934692       58.48460 
1 1 1 12  20 13 o 167.858 27.875 6.3395  1.9121 6.0396  3.2436  6.4992  2.3671 158.476 45.769 167.661 34.489 -9.185394      57.30838 
1 1 1 12  20 14 o 112.106 32.050 2.8742  1.5980 3.2945  2.6230  2.6261  2.0151 122.424 41.972 109.759 36.792 12.66460       55.81509 
1 1 1 12  21 0  o 169.777 28.505 6.3709  1.9769 4.8464  2.7600  7.9769  2.8328 146.639 42.182 188.320 36.840 -41.68021      56.00456 
1 1 1 12  21 1  o 344.311 23.099 25.515  3.3486 22.190  4.4315  29.940  5.1125 318.129 33.391 370.155 32.959 -52.02594      46.91741 
1 1 1 12  21 2  f 190.666 28.415 8.0049  2.2243 4.3408  2.9782  12.627  3.3449 140.469 44.577 238.766 34.044 -98.29726      56.09025 
1 1 1 12  21 3  o 220.117 27.334 10.597  2.4931 7.2702  3.2844  15.121  3.8298 177.773 43.890 261.047 35.568 -83.27405      56.49258 
1 1 1 12  21 4  o 401.625 22.751 34.710  3.8538 33.235  5.2501  36.434  5.6748 389.898 32.081 407.925 33.136 -18.02625      46.12082 
1 1 1 12  21 5  o 235.133 21.960 11.956  2.1614 13.598  3.5587  10.996  2.7206 247.238 34.964 223.526 29.458 23.71172       45.71952 
1 1 1 12  21 6  o 507.013 23.440 55.288  5.0328 0.0000  0.0000  55.288  5.0328 ?       ?      507.013 23.440 0.000000       23.43964 
1 1 1 12  21 7  o 217.095 28.103 10.386  2.5231 5.4896  3.4708  15.872  3.6741 154.758 47.982 267.331 33.166 -112.5729      58.32885 
1 1 1 12  21 8  o 473.480 23.555 48.404  4.7231 0.0000  0.0000  48.404  4.7231 ?       ?      473.480 23.555 0.000000       23.55485 
1 1 1 12  21 9  o 191.262 30.743 8.2026  2.4057 11.384  3.4190  5.0828  3.3857 223.411 37.463 148.742 47.564 74.66911       60.54633 
1 1 1 12  21 10 o 317.042 20.538 21.725  2.7427 22.545  4.6128  21.276  3.4112 317.097 34.930 311.818 26.072 5.278442       43.58686 
1 1 1 12  21 11 o 187.916 32.401 8.0051  2.4854 13.759  3.5887  2.7013  3.4454 246.253 35.432 122.826 47.163 123.4276       58.98994 
1 1 1 12  21 12 o 138.271 29.941 4.3707  1.7024 3.4094  3.0198  4.8186  2.0612 126.372 44.910 144.138 34.270 -17.76642      56.49196 
1 1 1 12  21 13 o 226.839 23.517 11.311  2.2264 7.3827  3.6378  13.664  2.8152 173.745 47.897 248.060 27.247 -74.31485      55.10419 
1 1 1 12  21 14 o 73.007  31.640 -0.0947 1.8065 -0.7244 2.7416  0.3885  2.4016 84.444  37.683 87.931  37.254 -3.487267      52.98938 
1 1 1 12  22 0  o 209.339 27.670 9.5997  2.3929 13.445  3.4607  6.0770  3.3122 246.532 34.057 163.025 45.983 83.50790       57.22151 
1 1 1 12  22 1  o 502.475 21.845 54.080  4.6485 55.675  6.2865  52.155  6.9048 506.683 29.424 488.610 33.573 18.07327       44.64215 
1 1 1 12  22 2  o 373.683 22.633 30.052  3.5647 27.836  4.8067  32.760  5.3139 356.650 32.171 386.914 32.738 -30.26474      45.89937 
1 1 1 12  22 3  o 243.421 26.099 12.905  2.6485 15.743  3.5663  9.4155  3.9549 267.360 32.141 201.412 47.192 65.94751       57.09755 
1 1 1 12  22 4  o 310.415 23.851 20.831  3.1114 19.716  4.1960  22.193  4.6375 298.886 33.741 316.777 35.162 -17.89127      48.73194 
1 1 1 12  22 5  o 610.852 22.358 80.136  5.7838 76.498  7.7949  84.592  8.6275 592.157 31.193 621.768 32.882 -29.61060      45.32409 
1 1 1 12  22 6  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 12  22 7  o 240.847 21.853 12.583  2.2047 15.034  3.7386  11.276  2.7298 258.985 34.982 225.738 29.242 33.24754       45.59472 
1 1 1 12  22 8  o 208.086 29.561 9.6401  2.5318 0.0000  0.0000  9.6401  2.5318 ?       ?      208.086 29.561 0.000000       29.56111 
1 1 1 12  22 9  o 289.793 25.436 18.366  3.0901 20.231  4.2820  16.339  4.4637 300.534 34.256 266.670 40.824 33.86362       53.29285 
1 1 1 12  22 10 o 118.216 30.549 3.1872  1.5404 0.6317  2.7058  4.4127  1.8737 95.303  39.913 138.726 32.468 -43.42266      51.45111 
1 1 1 12  22 11 o 199.286 30.133 8.9311  2.4637 9.7627  3.4972  8.1119  3.4713 203.506 41.973 183.965 44.941 19.54016       61.49330 
1 1 1 12  22 12 o 255.913 21.950 14.303  2.3559 13.409  3.9760  14.786  2.9246 239.255 40.698 258.204 27.153 -18.94901      48.92476 
1 1 1 12  22 13 f 131.517 31.660 3.9983  1.7422 8.9755  2.9533  1.3420  2.1575 196.391 36.864 94.117  36.988 102.2744       52.22083 
1 1 1 12  23 0  o 266.194 25.029 15.368  2.7884 19.950  4.0125  11.089  3.8776 301.556 31.905 220.388 43.090 81.16824       53.61589 
1 1 1 12  23 1  o 448.791 22.406 43.201  4.2584 46.747  5.8519  39.210  6.2083 463.618 29.966 422.374 35.024 41.24390       46.09394 
1 1 1 12  23 2  o 132.387 35.335 3.9677  2.0180 1.4271  2.7196  7.0802  3.0102 104.315 41.357 175.633 41.185 -71.31772      58.36662 
1 1 1 12  23 3  o 215.957 26.419 10.204  2.3658 7.9570  3.0818  13.429  3.6917 186.488 40.206 244.955 36.718 -58.46738      54.44965 
1 1 1 12  23 4  o 274.277 24.636 16.330  2.8311 15.769  3.9067  16.950  4.1085 266.019 35.568 275.765 36.043 -9.746246      50.63762 
1 1 1 12  23 5  o 378.906 23.232 31.017  3.7100 32.163  5.0749  29.700  5.4372 382.703 31.595 365.936 35.533 16.76706       47.54859 
1 1 1 12  23 6  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 12  23 7  o 236.968 43.072 13.033  4.1632 0.0000  0.0000  13.033  4.1632 ?       ?      236.968 43.072 0.000000       43.07163 
1 1 1 12  23 8  o 396.852 35.791 35.293  5.9504 0.0000  0.0000  35.293  5.9504 ?       ?      396.852 35.791 0.000000       35.79104 
1 1 1 12  23 9  o 255.884 20.766 14.199  2.2309 15.622  3.5783  13.294  2.8533 264.115 32.690 245.197 27.979 18.91783       43.02873 
1 1 1 12  23 10 o 112.733 31.244 2.8953  1.5433 4.0948  2.8811  2.4126  1.8276 134.340 43.954 105.683 35.028 28.65723       56.20480 
1 1 1 12  23 11 o 161.309 33.926 6.0137  2.2441 8.4240  3.2623  3.8489  3.0918 188.232 41.993 131.621 45.543 56.61115       61.94813 
1 1 1 12  23 12 o 381.602 19.832 31.556  3.1938 32.664  5.4136  30.964  3.9556 380.063 33.993 375.477 25.020 4.586517       42.20803 
1 1 1 12  23 13 o 254.204 21.842 14.127  2.3285 14.057  3.9333  14.165  2.8892 245.481 39.150 252.277 27.488 -6.796738      47.83634 
1 1 1 12  24 0  f 604.012 21.846 78.241  5.5880 82.447  7.6581  73.451  8.1720 616.918 29.312 579.455 33.444 37.46332       44.47141 
1 1 1 12  24 1  o 237.516 27.522 12.345  2.7170 10.823  3.7248  14.076  3.9718 217.659 41.931 250.162 38.743 -32.50279      57.08973 
1 1 1 12  24 2  o 422.743 22.614 38.491  4.0339 40.906  5.5801  35.847  5.8382 432.844 30.639 403.417 34.505 29.42645       46.14510 
1 1 1 12  24 3  o 196.553 30.656 8.5872  2.4685 8.3804  3.3069  8.8476  3.7097 190.669 42.081 194.928 45.728 -4.259018      62.14403 
1 1 1 12  24 4  f 402.567 22.417 34.956  3.8065 36.525  5.1791  33.113  5.6136 408.556 30.147 386.906 34.626 21.64954       45.91064 
1 1 1 12  24 5  o 102.096 39.611 1.6022  2.4492 1.6022  2.4492  0.0000  0.0000 102.096 39.611 ?       ?      0.000000       39.61086 
1 1 1 12  24 6  o 349.736 35.049 27.321  5.1212 0.0000  0.0000  27.321  5.1212 ?       ?      349.736 35.049 0.000000       35.04873 
1 1 1 12  24 7  o 230.216 42.232 12.328  3.9656 0.0000  0.0000  12.328  3.9656 ?       ?      230.216 42.232 0.000000       42.23164 
1 1 1 12  24 8  o 298.131 24.878 19.429  3.1124 20.892  4.2179  17.680  4.6115 305.656 33.115 277.352 40.452 28.30371       52.27748 
1 1 1 12  24 9  o 270.387 25.427 16.046  2.8774 13.915  3.9148  18.549  4.2436 245.943 38.879 286.219 35.792 -40.27644      52.84560 
1 1 1 12  24 10 o 235.922 22.171 12.163  2.1891 16.068  3.8400  10.283  2.6645 265.880 34.951 213.870 30.263 52.01057       46.23224 
1 1 1 12  24 11 o 126.677 31.647 3.7109  1.6928 3.5581  2.8268  3.7963  2.1138 126.481 43.560 127.641 36.972 -1.160393      57.13514 
1 1 1 12  24 12 o 179.236 26.188 7.1876  1.9291 3.3221  3.2088  9.3755  2.4141 125.741 46.079 204.137 28.719 -78.39611      54.29560 
1 1 1 12  24 13 o 603.570 23.571 79.471  6.0249 83.945  8.3433  74.594  8.7095 611.780 32.318 572.678 36.097 39.10199       48.45017 
1 1 1 12  25 0  o 409.861 22.160 36.170  3.8321 33.454  5.2079  39.377  5.6591 390.716 31.749 424.085 31.740 -33.36948      44.89352 
1 1 1 12  25 1  o 147.369 34.895 4.9433  2.1441 4.6503  3.1749  5.1891  2.9073 144.285 46.051 150.482 43.294 -6.196945      63.20665 
1 1 1 12  25 2  o 412.548 22.824 36.711  3.9721 34.875  5.3547  38.958  5.9230 398.555 31.995 420.652 33.527 -22.09717      46.34384 
1 1 1 12  25 3  o 316.550 24.384 21.740  3.2436 23.411  4.4895  19.916  4.6916 325.396 33.037 297.804 38.072 27.59225       50.40761 
1 1 1 12  25 4  o 194.221 39.225 8.6708  3.1152 8.6708  3.1152  0.0000  0.0000 194.221 39.225 ?       ?      0.000000       39.22524 
1 1 1 12  25 5  o 412.374 30.602 37.458  5.3062 37.458  5.3062  0.0000  0.0000 412.374 30.602 ?       ?      0.000000       30.60236 
1 1 1 12  25 6  o 164.120 43.311 6.3556  3.0541 0.0000  0.0000  6.3556  3.0541 ?       ?      164.120 43.311 0.000000       43.31068 
1 1 1 12  25 7  o 241.310 26.957 12.851  2.7077 15.669  3.6216  9.2788  4.0773 264.203 33.094 195.926 49.207 68.27780       59.30075 
1 1 1 12  25 8  o 92.492  34.360 1.5418  1.7947 -1.4701 2.4646  4.9421  2.6187 75.013  34.365 145.269 40.855 -70.25612      53.38671 
1 1 1 12  25 9  o 583.036 22.902 73.760  5.6547 69.936  7.6580  78.345  8.3853 560.183 32.419 591.919 33.590 -31.73590      46.68283 
1 1 1 12  25 10 o 223.447 27.709 11.140  2.5658 8.0890  3.5169  14.611  3.7516 182.473 45.630 252.216 36.158 -69.74309      58.21975 
1 1 1 12  25 11 o 233.894 22.778 12.019  2.2276 12.629  3.7829  11.695  2.7561 231.676 40.002 228.097 29.202 3.578751       49.52712 
1 1 1 12  25 12 o 556.539 19.012 66.918  4.4809 59.100  7.3488  71.544  5.6534 510.893 34.163 572.591 23.314 -61.69708      41.36007 
1 1 1 12  26 0  o 457.816 21.842 45.028  4.2348 43.231  5.8454  47.014  6.1435 444.253 31.269 463.250 31.502 -18.99667      44.38645 
1 1 1 12  26 1  o 145.920 34.352 4.8532  2.0876 7.6832  2.9528  2.0251  2.9518 182.923 39.290 112.701 43.553 70.22146       58.65605 
1 1 1 12  26 2  o 216.766 28.999 10.390  2.5953 7.2304  3.6208  13.728  3.7220 175.299 47.563 246.867 36.720 -71.56807      60.08829 
1 1 1 12  26 3  o 353.784 23.692 27.140  3.5291 23.754  4.8157  31.068  5.1868 326.143 35.436 374.626 33.032 -48.48285      48.44404 
1 1 1 12  26 4  o 148.435 45.701 5.0997  3.1549 5.0997  3.1549  0.0000  0.0000 148.435 45.701 ?       ?      0.000000       45.70119 
1 1 1 12  26 5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 12  26 6  o 288.071 36.392 18.815  4.3406 0.0000  0.0000  18.815  4.3406 ?       ?      288.071 36.392 0.000000       36.39220 
1 1 1 12  26 7  o 183.323 29.995 7.5676  2.2481 8.5083  3.1223  6.5548  3.2397 190.770 39.929 165.719 45.001 25.05035       60.16136 
1 1 1 12  26 8  o 105.518 34.495 2.4329  1.7746 2.0518  2.4781  2.8340  2.5423 106.492 40.210 116.482 41.227 -9.989716      57.58920 
1 1 1 12  26 9  o 84.389  33.467 0.9728  1.7813 1.2091  2.4958  0.7274  2.5431 97.174  39.246 93.139  38.824 4.034760       55.20419 
1 1 1 12  26 10 o 441.981 23.308 42.724  4.3472 41.688  5.9469  43.914  6.3707 429.866 32.917 439.967 34.467 -10.10052      47.66076 
1 1 1 12  26 11 o 314.972 24.468 21.848  3.2382 21.412  4.3790  22.374  4.8102 306.223 34.360 311.179 37.241 -4.955688      50.67061 
1 1 1 12  26 12 o 213.440 40.632 10.816  3.5386 10.816  3.5386  0.0000  0.0000 213.440 40.632 ?       ?      0.000000       40.63214 
1 1 1 12  27 0  o 358.624 22.243 27.780  3.3614 27.120  4.6816  28.483  4.8294 350.727 31.867 359.403 32.067 -8.676788      45.20853 
1 1 1 12  27 1  o 221.162 27.369 10.772  2.5087 10.382  3.4935  11.189  3.6047 212.534 40.289 220.948 39.997 -8.414276      56.77062 
1 1 1 12  27 2  o 318.296 24.309 22.035  3.2520 20.017  4.4922  24.257  4.7139 298.487 36.284 329.921 34.237 -31.43433      49.88678 
1 1 1 12  27 3  o 174.710 45.361 7.2363  3.3858 7.2363  3.3858  0.0000  0.0000 174.710 45.361 ?       ?      0.000000       45.36079 
1 1 1 12  27 4  o 165.233 34.405 6.2681  2.3292 7.1675  3.3279  5.4044  3.2611 173.543 44.930 151.737 46.421 21.80591       64.60357 
1 1 1 12  27 5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 12  27 6  o 455.957 23.199 45.204  4.4647 49.474  6.1704  40.512  6.4683 472.277 31.024 423.557 36.415 48.71951       47.83851 
1 1 1 12  27 7  f 407.339 22.607 36.082  3.8844 35.555  5.2406  36.725  5.7868 399.650 31.212 404.313 34.115 -4.662506      46.23888 
1 1 1 12  27 8  o 231.056 26.919 11.861  2.5846 11.669  3.5002  12.090  3.8330 224.068 38.260 226.480 41.492 -2.411514      56.43953 
1 1 1 12  27 9  o 117.690 37.472 3.1587  2.1031 1.2048  2.8556  5.4747  3.1090 101.310 41.579 150.556 45.167 -49.24611      61.39101 
1 1 1 12  27 10 f 125.683 36.190 3.7012  2.0307 1.2416  2.7312  6.7419  3.0368 99.887  40.790 166.635 42.806 -66.74718      59.12883 
1 1 1 12  27 11 o 369.640 24.390 30.065  3.7966 30.971  5.1458  28.984  5.6245 369.343 33.255 353.518 38.175 15.82477       50.62847 
1 1 1 12  28 0  o 183.817 29.833 7.5567  2.2427 10.424  3.2581  4.9745  3.0918 213.826 37.338 146.986 45.240 66.84001       58.65811 
1 1 1 12  28 1  o 317.768 23.108 21.930  3.0884 21.218  4.3179  22.677  4.4192 308.303 33.616 319.025 33.196 -10.72223      47.24421 
1 1 1 12  28 2  o 515.989 30.081 58.644  6.5446 58.644  6.5446  0.0000  0.0000 515.989 30.081 ?       ?      0.000000       30.08073 
1 1 1 12  28 3  o 168.842 46.132 6.8194  3.3922 6.8194  3.3922  0.0000  0.0000 168.842 46.132 ?       ?      0.000000       46.13181 
1 1 1 12  28 4  o 243.850 38.944 13.720  3.8863 0.0000  0.0000  13.720  3.8863 ?       ?      243.850 38.944 0.000000       38.94368 
1 1 1 12  28 5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 12  28 6  o 204.936 29.695 9.4337  2.5021 7.0694  3.5345  11.809  3.5425 170.807 47.264 225.784 38.425 -54.97752      60.91272 
1 1 1 12  28 7  o 300.216 25.608 19.851  3.2246 24.652  4.5412  14.968  4.5798 330.861 32.844 250.612 44.796 80.24927       55.54622 
1 1 1 12  28 8  o 290.017 24.697 18.536  3.0044 17.910  4.0740  19.282  4.4485 279.580 35.188 288.965 37.217 -9.384857      51.21806 
1 1 1 12  28 9  o 300.472 24.260 19.901  3.0607 17.085  4.0999  23.447  4.6001 271.592 36.576 320.169 34.470 -48.57709      50.25942 
1 1 1 12  28 10 o 164.095 33.101 6.2632  2.2209 2.4730  2.9432  11.276  3.3846 114.120 43.645 219.038 37.858 -104.9176      57.77597 
1 1 1 12  28 11 o 161.535 43.380 6.3674  3.0303 6.3674  3.0303  0.0000  0.0000 161.535 43.380 ?       ?      0.000000       43.38024 
1 1 1 12  29 0  o 329.816 22.197 23.601  3.0822 25.849  4.2061  20.994  4.5298 342.257 29.302 305.191 35.724 37.06555       46.20350 
1 1 1 12  29 1  o 114.449 43.179 2.4035  2.8561 2.4035  2.8561  0.0000  0.0000 114.449 43.179 ?       ?      0.000000       43.17854 
1 1 1 12  29 2  o 259.410 35.856 15.310  3.8337 15.310  3.8337  0.0000  0.0000 259.410 35.856 ?       ?      0.000000       35.85558 
1 1 1 12  29 3  o 235.274 37.614 12.747  3.6215 0.0000  0.0000  12.747  3.6215 ?       ?      235.274 37.614 0.000000       37.61445 
1 1 1 12  29 4  o 155.319 44.916 5.7639  3.1220 0.0000  0.0000  5.7639  3.1220 ?       ?      155.319 44.916 0.000000       44.91612 
1 1 1 12  29 5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 12  29 6  o 138.307 36.862 4.4875  2.1983 3.8220  3.1996  5.0824  3.0253 131.535 46.283 146.142 44.712 -14.60698      64.35303 
1 1 1 12  29 7  o 266.172 26.843 15.747  2.9844 18.219  4.1984  13.221  4.2432 281.436 36.055 234.435 44.364 47.00029       57.16721 
1 1 1 12  29 8  o 108.859 36.521 2.6248  1.9855 4.6138  3.0008  1.0761  2.6479 139.084 44.812 97.140  39.973 41.94346       60.04911 
1 1 1 12  29 9  o 126.524 34.603 3.7650  1.9075 2.3757  2.5540  5.5177  2.8687 109.607 40.935 150.515 42.912 -40.90752      59.30542 
1 1 1 12  29 10 o 211.333 27.750 10.054  2.4236 14.458  3.3010  4.9046  3.5696 251.940 31.636 143.210 48.964 108.7296       58.29534 
1 1 1 12  30 0  o 259.463 24.495 14.769  2.6597 16.301  3.7756  13.260  3.7473 268.605 33.949 239.924 38.158 28.68143       51.07475 
1 1 1 12  30 1  o 357.014 32.127 28.515  4.8054 28.515  4.8054  0.0000  0.0000 357.014 32.127 ?       ?      0.000000       32.12748 
1 1 1 12  30 2  f 226.225 39.166 11.910  3.6164 0.0000  0.0000  11.910  3.6164 ?       ?      226.225 39.166 0.000000       39.16629 
1 1 1 12  30 3  o 93.101  39.081 0.6166  2.6039 0.0000  0.0000  0.6166  2.6039 ?       ?      93.101  39.081 0.000000       39.08101 
1 1 1 12  30 4  o 215.573 28.931 10.416  2.5746 11.755  3.5894  8.9980  3.6949 224.440 39.190 192.643 45.937 31.79781       60.38229 
1 1 1 12  30 5  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 12  30 6  o 489.516 22.340 52.191  4.6312 50.903  6.2573  53.750  6.8870 476.357 31.190 487.402 33.571 -11.04474      45.82340 
1 1 1 12  30 7  o 246.592 27.255 13.602  2.7986 15.764  3.8510  11.183  4.0741 260.929 35.793 212.940 46.483 47.98886       58.66684 
1 1 1 12  30 8  f 86.455  34.533 1.0365  1.9093 -0.5773 2.4364  3.6048  3.0735 79.762  35.564 126.901 45.286 -47.13921      57.58123 
1 1 1 12  30 9  o 202.583 31.669 9.4266  2.6280 14.234  3.8355  5.1728  3.6080 245.940 38.054 145.871 49.230 100.0691       62.22265 
1 1 1 12  31 0  o 206.771 40.229 10.059  3.3959 10.059  3.3959  0.0000  0.0000 206.771 40.229 ?       ?      0.000000       40.22897 
1 1 1 12  31 1  o 297.179 34.830 20.083  4.3003 0.0000  0.0000  20.083  4.3003 ?       ?      297.179 34.830 0.000000       34.83015 
1 1 1 12  31 2  o 176.048 42.908 7.4444  3.1698 0.0000  0.0000  7.4444  3.1698 ?       ?      176.048 42.908 0.000000       42.90765 
1 1 1 12  31 3  o 113.760 36.883 2.9026  2.0305 0.2576  2.9623  5.2466  2.7887 94.918  40.825 148.213 42.328 -53.29550      58.80773 
1 1 1 12  31 4  o 315.263 24.012 21.827  3.1817 19.004  4.4102  24.892  4.5947 287.029 37.154 331.604 33.163 -44.57523      49.80174 
1 1 1 12  31 5  o 211.006 41.023 10.623  3.5338 0.0000  0.0000  10.623  3.5338 ?       ?      211.006 41.023 0.000000       41.02329 
1 1 1 12  31 6  o 156.789 35.402 5.8054  2.2950 7.2338  3.2822  4.4390  3.2102 171.183 44.767 137.070 46.435 34.11311       64.50072 
1 1 1 12  31 7  o 333.740 36.071 25.820  5.0170 25.820  5.0170  0.0000  0.0000 333.740 36.071 ?       ?      0.000000       36.07096 
1 1 1 12  31 8  o 65.228  29.778 -0.9816 1.8293 -0.8699 2.6683  -1.0807 2.5128 81.323  36.661 77.330  35.147 3.992859       50.78758 
1 1 1 12  31 9  o 223.634 29.738 11.367  2.7466 11.583  3.8268  11.137  3.9444 218.228 42.938 212.421 45.233 5.807175       62.36734 
1 1 1 12  32 0  o 237.841 25.185 12.511  2.4981 11.775  3.6157  13.184  3.4554 223.985 39.564 239.663 35.084 -15.67734      52.87952 
1 1 1 12  32 1  o 212.951 38.501 10.621  3.3443 0.0000  0.0000  10.621  3.3443 ?       ?      212.951 38.501 0.000000       38.50059 
1 1 1 12  32 2  o 272.633 35.130 17.031  3.9617 17.031  3.9617  0.0000  0.0000 272.633 35.130 ?       ?      0.000000       35.13042 
1 1 1 12  32 3  o 311.954 24.064 21.407  3.1545 18.912  4.3849  24.083  4.5415 285.930 37.086 325.548 33.415 -39.61832      49.91906 
1 1 1 12  32 4  o 290.699 25.139 18.707  3.0644 19.167  4.2627  18.216  4.4083 288.156 35.695 279.147 38.300 9.008820       52.35447 
1 1 1 12  32 5  o 126.719 44.143 3.6652  2.9070 0.0000  0.0000  3.6652  2.9070 ?       ?      126.719 44.143 0.000000       44.14338 
1 1 1 12  32 6  o 345.253 23.541 26.297  3.4214 24.481  4.6475  28.446  5.0556 325.977 34.174 351.379 34.416 -25.40280      48.50068 
1 1 1 12  32 7  o 299.044 25.412 19.902  3.1877 18.072  4.4434  21.843  4.5757 276.074 39.098 306.254 35.965 -30.17981      53.12378 
1 1 1 12  32 8  o 132.730 35.564 4.1958  2.0395 2.9234  2.7355  5.7882  3.0602 116.707 42.579 152.757 44.555 -36.04955      61.62857 
1 1 1 12  33 0  o 387.782 32.051 33.913  5.2163 0.0000  0.0000  33.913  5.2163 ?       ?      387.782 32.051 0.000000       32.05093 
1 1 1 12  33 1  o 335.792 22.813 24.709  3.2249 24.644  4.5203  24.777  4.6021 329.539 32.827 330.061 33.383 -0.5220642     46.81956 
1 1 1 12  33 2  o 331.162 23.036 24.077  3.2105 18.094  4.4323  30.681  4.6568 277.982 38.700 369.613 30.010 -91.63123      48.97216 
1 1 1 12  33 3  o 173.893 32.093 7.0015  2.2764 9.8868  3.2809  4.3234  3.1609 203.472 39.500 135.403 46.077 68.06947       60.69061 
1 1 1 12  33 4  o 136.212 35.979 4.4245  2.1064 5.0868  3.0748  3.8388  2.8914 144.003 45.246 128.400 44.064 15.60313       63.15786 
1 1 1 12  33 5  o 271.558 25.738 16.467  2.9246 17.037  4.0911  15.871  4.1824 269.314 36.836 257.943 39.550 11.37112       54.04685 
1 1 1 12  33 6  o 315.228 25.177 22.114  3.3330 20.512  4.7006  23.735  4.7268 294.205 38.664 319.230 35.569 -25.02457      52.53591 
1 1 1 12  33 7  o 133.982 45.408 4.3010  3.0696 4.3010  3.0696  0.0000  0.0000 133.982 45.408 ?       ?      0.000000       45.40768 
1 1 1 12  34 0  o 80.575  32.183 0.8659  1.6582 -1.4423 2.4661  2.7707  2.2402 74.328  34.171 112.224 38.771 -37.89632      51.67981 
1 1 1 12  34 1  o 97.507  34.451 1.9854  1.7745 1.9674  2.6594  1.9999  2.3825 105.773 41.209 103.417 39.336 2.356789       56.96921 
1 1 1 12  34 2  o 229.829 26.355 11.845  2.5188 8.0810  3.5874  15.505  3.5374 179.072 46.789 259.538 32.924 -80.46587      57.21172 
1 1 1 12  34 3  o 133.569 33.775 4.2322  1.9117 2.8599  2.7256  5.5610  2.6821 115.653 42.455 150.577 40.969 -34.92398      58.99879 
1 1 1 12  34 4  o 94.397  39.730 0.8066  2.7028 0.8066  2.7028  0.0000  0.0000 94.397  39.730 ?       ?      0.000000       39.73041 
1 1 1 12  34 5  o 263.586 25.490 15.542  2.8098 14.370  3.8427  16.889  4.1190 245.580 38.190 267.073 37.448 -21.49371      53.48632 
1 1 1 12  34 6  o 65.296  29.075 -0.4305 1.6225 -1.1335 2.6328  0.0000  2.0603 78.599  35.821 77.615  33.713 0.9838486      49.19031 
1 1 1 12  35 0  o 168.437 30.551 6.5634  2.0990 4.7568  2.9713  8.3630  2.9655 139.470 44.554 186.318 38.843 -46.84784      59.10862 
1 1 1 12  35 1  o 351.884 22.736 27.308  3.3700 27.082  4.7353  27.541  4.7972 343.030 33.004 345.813 33.164 -2.782471      46.78751 
1 1 1 12  35 2  o 65.353  29.241 -0.5141 1.6625 1.7801  2.4868  -2.3681 2.2356 101.206 39.730 64.141  30.451 37.06487       50.05734 
1 1 1 12  35 3  o 117.748 36.412 3.2829  2.0003 6.0052  2.9369  0.9277  2.7318 154.873 43.165 95.558  40.066 59.31478       58.89432 
1 1 1 12  35 4  o 186.947 40.895 8.5970  3.1476 8.5970  3.1476  0.0000  0.0000 186.947 40.895 ?       ?      0.000000       40.89478 
1 1 1 12  35 5  o 186.613 32.349 8.1390  2.4639 12.488  3.6904  4.6411  3.3095 227.180 39.810 137.568 47.146 89.61205       61.70533 
1 1 1 12  36 0  f 104.765 34.564 2.5024  1.7802 0.2395  2.6023  4.4929  2.4407 87.878  38.029 135.412 39.874 -47.53342      55.10169 
1 1 1 12  36 1  o 122.290 35.722 3.5859  1.9659 4.7791  2.9186  2.5950  2.6597 138.582 44.145 111.330 41.736 27.25253       60.75081 
1 1 1 12  36 2  f 151.454 32.523 5.4347  2.0237 7.4427  3.0531  3.8612  2.7027 172.523 42.149 126.702 42.609 45.82122       59.93382 
1 1 1 12  36 3  o 166.734 31.876 6.5332  2.1687 6.5681  3.1594  6.5021  2.9822 160.607 44.773 160.668 42.987 -0.6066895E-01 62.06823 
1 1 1 12  36 4  o 77.302  34.570 -0.5394 2.3205 -0.5394 2.3205  0.0000  0.0000 77.302  34.570 ?       ?      0.000000       34.57010 
1 1 1 12  37 0  o 111.046 34.466 2.9125  1.7903 2.6444  2.7300  3.1149  2.3715 111.911 42.216 115.666 39.895 -3.754410      58.08466 
1 1 1 12  37 1  o 187.981 26.600 8.0557  2.0584 7.1925  2.8526  8.9934  2.9733 170.143 40.224 192.340 37.851 -22.19775      55.23233 
1 1 1 12  37 2  o 191.895 29.316 8.5067  2.3068 11.680  3.3570  5.6675  3.1752 220.264 37.321 148.714 45.858 71.55063       59.12502 
1 1 1 12  37 3  o 396.857 22.086 34.797  3.6972 38.414  5.1858  31.057  5.2726 409.904 30.084 364.088 34.612 45.81604       45.85905 
1 1 1 12  38 0  o 214.022 26.053 10.404  2.3126 6.0142  3.4447  14.006  3.1203 151.474 47.928 245.727 30.651 -94.25385      56.89140 
1 1 1 12  38 1  o 70.077  30.702 -0.1301 1.7408 1.2460  2.9353  -0.8766 2.1620 99.760  41.658 71.706  32.595 28.05443       52.89396 
1 1 1 12  39 0  o 77.893  31.351 0.8319  1.5869 -0.9610 2.7444  1.7324  1.9450 80.501  36.643 94.087  35.599 -13.58539      51.08866 
1 1 1 13  0  0  o 94.124  41.756 2.7266  1.7574 3.3164  2.3014  1.9014  2.7220 102.961 47.724 83.562  48.063 0.000000       0.000000 
1 1 1 13  0  1  o 461.853 23.710 45.697  4.6096 44.893  6.4336  46.546  6.6078 454.973 33.820 463.312 34.102 0.000000       0.000000 
1 1 1 13  0  2  o 153.979 55.074 6.7274  3.2800 0.0000  0.0000  6.7274  3.2800 153.979 55.074 153.979 55.074 0.000000       0.000000 
1 1 1 13  0  3  o 1082.24 36.219 251.453 16.558 251.453 16.558  0.0000  0.0000 1082.24 36.219 1082.24 36.219 0.000000       0.000000 
1 1 1 13  0  4  o 100.979 44.640 3.1485  2.0089 2.8263  2.9011  3.4453  2.7844 95.613  51.566 103.988 51.912 0.000000       0.000000 
1 1 1 13  0  5  o 685.519 23.935 100.398 6.9295 107.597 9.7925  93.178  9.8070 707.057 32.865 656.723 35.499 0.000000       0.000000 
1 1 1 13  0  6  o 688.251 24.089 101.243 7.0017 93.306  9.8023  109.511 10.005 656.951 35.469 712.978 33.300 0.000000       0.000000 
1 1 1 13  0  7  o 939.571 24.936 188.533 9.9062 196.299 13.992  180.728 14.027 955.007 34.701 915.479 36.310 0.000000       0.000000 
1 1 1 13  0  8  o 357.376 24.833 27.617  3.7166 26.902  5.1881  28.372  5.3269 348.572 36.027 358.291 35.936 0.000000       0.000000 
1 1 1 13  0  9  o 157.318 53.497 6.9372  3.1949 0.0000  0.0000  6.9372  3.1949 157.318 53.497 157.318 53.497 0.000000       0.000000 
1 1 1 13  0  10 o 84.217  45.868 2.1959  2.3164 2.1959  2.3164  0.0000  0.0000 84.217  45.868 84.217  45.868 0.000000       0.000000 
1 1 1 13  0  11 o 444.547 24.353 42.605  4.5533 44.138  6.3118  40.941  6.5750 448.993 33.628 430.784 36.651 0.000000       0.000000 
1 1 1 13  0  12 o 187.429 32.114 8.1682  2.3244 8.0336  3.1237  8.3351  3.4794 175.383 48.622 175.344 53.622 0.000000       0.000000 
1 1 1 13  0  13 o 321.207 26.665 22.575  3.5697 20.697  4.8148  24.868  5.3196 301.213 39.653 331.567 39.344 0.000000       0.000000 
1 1 1 13  0  14 o 173.309 34.843 7.2036  2.2671 7.9688  3.0640  6.2777  3.3703 174.456 47.961 143.052 57.302 0.000000       0.000000 
1 1 1 13  0  15 o 84.545  42.536 2.3097  1.8769 4.0640  2.4897  -0.0000 2.8568 113.468 49.688 66.045  42.858 0.000000       0.000000 
1 1 1 13  1  0  f 327.891 17.064 22.913  2.3613 23.222  3.3054  22.591  3.3744 329.092 23.880 324.417 24.748 4.675598       34.39057 
1 1 1 13  1  1  o 511.477 16.612 55.607  3.5982 58.499  5.0925  52.724  5.0848 523.697 22.962 496.981 24.160 26.71579       33.33067 
1 1 1 13  1  2  o 286.801 25.949 17.732  3.1175 15.450  4.3148  20.225  4.5094 264.277 39.786 304.207 35.681 -39.92960      53.44202 
1 1 1 13  1  3  o 777.771 24.023 129.287 7.9125 118.733 11.107  140.163 11.275 741.350 35.377 806.516 33.011 -65.16534      48.38677 
1 1 1 13  1  4  o 708.470 16.984 106.815 5.0958 110.973 7.2323  102.715 7.1811 720.427 23.705 692.880 24.473 27.54626       34.07151 
1 1 1 13  1  5  o 623.348 16.796 82.709  4.4337 86.334  6.2426  79.020  6.2982 635.352 23.201 607.499 24.481 27.85260       33.72834 
1 1 1 13  1  6  o 436.703 16.971 40.612  3.1387 40.083  4.4298  41.146  4.4477 431.900 24.318 437.661 24.090 -5.761658      34.22996 
1 1 1 13  1  7  o 694.557 17.074 102.771 5.0222 108.770 7.1067  96.787  7.0982 712.593 23.549 671.722 24.953 40.87024       34.31053 
1 1 1 13  1  8  o 577.006 16.962 70.956  4.1448 72.781  5.8583  69.127  5.8650 582.573 23.745 567.562 24.401 15.01202       34.04770 
1 1 1 13  1  9  o 376.510 25.482 30.647  4.0391 30.997  5.7673  30.310  5.6587 374.555 36.835 370.466 36.544 4.088501       51.88768 
1 1 1 13  1  10 o 188.206 40.673 8.1330  3.1472 0.0000  0.0000  8.1330  3.1472 ?       ?      188.206 40.673 0.000000       40.67273 
1 1 1 13  1  11 o 369.732 17.358 29.219  2.7179 28.933  3.8201  29.513  3.8678 365.336 24.838 368.977 24.898 -3.640686      35.16908 
1 1 1 13  1  12 o 500.564 17.224 53.577  3.6511 50.095  5.1355  57.136  5.1920 480.697 25.316 514.644 23.822 -33.94684      34.76219 
1 1 1 13  1  13 o 166.794 23.126 6.1150  1.5895 4.9838  2.1924  7.3686  2.3080 147.186 35.569 180.973 31.244 -33.78732      47.34235 
1 1 1 13  1  14 o 284.755 18.661 17.486  2.2378 17.548  3.1810  17.426  3.1488 282.539 26.910 281.613 26.723 0.9256897      37.92476 
1 1 1 13  1  15 o 292.744 18.440 18.475  2.2744 18.118  3.2290  18.826  3.2042 287.056 26.874 292.958 26.101 -5.901581      37.46282 
1 1 1 13  2  0  f 442.309 16.540 41.574  3.0982 39.743  4.3507  43.458  4.4131 430.965 23.932 450.854 23.192 -19.88977      33.32618 
1 1 1 13  2  1  o 370.793 16.872 29.229  2.6494 28.710  3.7264  29.759  3.7675 365.944 24.181 372.629 24.002 -6.684509      34.07116 
1 1 1 13  2  2  o 762.115 24.004 124.054 7.7472 114.766 10.849  133.720 11.067 729.452 35.119 788.170 33.155 -58.71838      48.29755 
1 1 1 13  2  3  o 366.316 23.818 28.794  3.6748 26.850  5.1636  30.788  5.2310 350.915 35.221 376.586 33.138 -25.67163      48.35940 
1 1 1 13  2  4  o 966.995 17.611 199.073 7.2121 197.750 10.171  200.411 10.228 961.152 24.989 967.608 24.960 -6.456543      35.31878 
1 1 1 13  2  5  o 249.034 19.108 13.298  1.9998 13.667  2.8486  12.940  2.8082 250.897 27.247 243.963 27.671 6.934647       38.83404 
1 1 1 13  2  6  o 335.388 17.547 24.029  2.4836 22.754  3.4700  25.367  3.5562 324.769 25.433 343.203 24.632 -18.43332      35.40541 
1 1 1 13  2  7  o 386.614 17.157 31.845  2.8091 30.416  3.9358  33.329  4.0106 375.781 24.872 393.614 24.177 -17.83252      34.68640 
1 1 1 13  2  8  o 252.565 18.736 13.688  1.9897 15.465  2.8257  11.941  2.8021 267.173 25.275 233.576 28.949 33.59795       38.42941 
1 1 1 13  2  9  o 565.863 24.344 68.835  5.8338 76.031  8.3309  61.912  8.1719 589.901 33.486 530.531 36.596 59.37012       49.60400 
1 1 1 13  2  10 o 239.990 39.382 13.033  3.8636 0.0000  0.0000  13.033  3.8636 ?       ?      239.990 39.382 0.000000       39.38151 
1 1 1 13  2  11 o 460.510 17.240 45.324  3.3622 41.669  4.6863  49.202  4.8267 438.518 25.343 477.785 23.855 -39.26746      34.80354 
1 1 1 13  2  12 o 169.055 21.956 6.2460  1.5348 5.6127  2.1309  6.9287  2.2124 157.250 33.048 175.789 30.843 -18.53893      45.20491 
1 1 1 13  2  13 o 92.934  29.180 1.8765  1.2791 -0.1421 1.8186  3.8525  1.7994 73.305  31.757 129.841 32.733 -56.53670      45.60664 
1 1 1 13  2  14 o 327.657 18.160 23.110  2.5100 20.926  3.5206  25.367  3.5796 308.600 27.217 340.922 24.967 -32.32181      36.93405 
1 1 1 13  2  15 o 410.390 17.342 36.113  3.0140 34.246  4.2342  38.030  4.2913 396.091 25.376 417.965 24.349 -21.87411      35.16840 
1 1 1 13  3  0  o 663.205 16.576 93.475  4.6557 100.197 6.5701  86.696  6.5982 685.558 22.630 637.338 24.446 48.21954       33.31268 
1 1 1 13  3  1  o 149.719 22.481 4.8844  1.3813 5.2257  1.9514  4.5416  1.9556 153.362 31.110 142.566 33.037 10.79655       45.37949 
1 1 1 13  3  2  f 473.582 23.883 48.022  4.7746 53.797  6.8821  42.663  6.6296 498.963 32.751 443.250 35.619 55.71310       48.38702 
1 1 1 13  3  3  o 584.794 23.528 73.073  5.8268 74.458  8.1977  71.659  8.2837 586.834 33.122 575.291 34.154 11.54376       47.57682 
1 1 1 13  3  4  o 502.410 16.694 53.711  3.5519 52.637  5.0706  54.745  4.9770 496.039 24.138 506.068 23.223 -10.02856      33.49514 
1 1 1 13  3  5  f 479.950 16.778 49.035  3.4102 43.141  4.7597  55.253  4.8882 448.013 25.189 508.351 22.706 -60.33820      33.91252 
1 1 1 13  3  6  o 566.442 16.686 68.319  4.0028 69.934  5.6573  66.700  5.6643 571.575 23.372 558.046 23.968 13.52844       33.47696 
1 1 1 13  3  7  o 172.274 21.276 6.4377  1.5192 6.8239  2.1938  6.0818  2.1059 175.375 30.655 165.204 31.245 10.17079       43.77193 
1 1 1 13  3  8  o 373.647 16.940 29.757  2.6805 30.322  3.7848  29.189  3.7967 375.222 23.943 367.969 24.505 7.253510       34.25987 
1 1 1 13  3  9  o 184.008 30.910 7.5317  2.3233 2.5298  3.2395  12.829  3.3337 121.447 45.946 240.507 33.652 -119.0607      56.95136 
1 1 1 13  3  10 o 160.940 42.554 5.9829  2.9446 0.0000  0.0000  5.9829  2.9446 ?       ?      160.940 42.554 0.000000       42.55419 
1 1 1 13  3  11 o 145.281 23.411 4.6550  1.3914 5.5905  2.0627  3.8740  1.8848 157.309 32.050 130.509 33.824 26.79974       46.59727 
1 1 1 13  3  12 o 161.460 23.201 5.7273  1.5408 4.3949  2.2426  6.9187  2.1206 138.484 37.372 176.042 29.488 -37.55855      47.60449 
1 1 1 13  3  13 o 261.594 18.805 14.756  2.0693 14.670  2.9086  14.845  2.9448 258.394 26.978 259.887 27.157 -1.493103      38.27930 
1 1 1 13  3  14 o 108.258 28.629 2.6570  1.3327 4.0390  1.9502  1.4463  1.8254 132.455 34.444 91.691  34.535 40.76396       48.77584 
1 1 1 13  3  15 o 305.377 18.288 20.093  2.3542 20.573  3.3676  19.634  3.2923 306.282 26.216 299.147 26.253 7.135620       37.10141 
1 1 1 13  4  0  o 254.142 17.664 13.799  1.8893 13.667  2.6210  13.943  2.7259 251.804 24.905 254.214 25.672 -2.410614      35.76744 
1 1 1 13  4  1  o 601.080 16.490 76.803  4.1975 78.573  5.9051  74.996  5.9677 606.847 22.978 592.717 23.775 14.13000       33.06376 
1 1 1 13  4  2  o 206.589 28.053 9.3080  2.3908 6.8790  3.6154  11.196  3.1872 174.343 47.621 225.434 34.481 -51.09055      58.79393 
1 1 1 13  4  3  o 836.927 24.163 149.758 8.5641 149.301 11.996  150.234 12.231 831.708 34.058 834.034 34.627 -2.326172      48.56951 
1 1 1 13  4  4  o 708.742 16.867 106.904 5.0625 103.758 7.1244  110.112 7.1951 696.386 24.158 717.540 23.678 -21.15448      33.82654 
1 1 1 13  4  5  o 293.184 17.966 18.381  2.2200 20.459  3.1549  16.342  3.1244 308.166 24.373 274.581 27.228 33.58487       36.54308 
1 1 1 13  4  6  o 665.853 16.853 94.419  4.7522 104.156 6.7609  84.911  6.6811 697.664 22.883 629.260 25.071 68.40430       33.94396 
1 1 1 13  4  7  o 171.318 21.238 6.3675  1.5078 6.3180  2.1596  6.4146  2.1061 168.400 31.438 169.964 30.375 -1.563812      43.71493 
1 1 1 13  4  8  o 307.797 17.544 20.268  2.2773 17.962  3.1908  22.663  3.2514 287.757 26.481 324.177 23.851 -36.41995      35.63826 
1 1 1 13  4  9  o 244.546 27.304 13.061  2.7795 13.676  3.9888  12.482  3.8752 246.399 39.565 234.875 40.417 11.52414       56.55888 
1 1 1 13  4  10 o 280.627 38.580 17.692  4.4637 0.0000  0.0000  17.692  4.4637 ?       ?      280.627 38.580 0.000000       38.58019 
1 1 1 13  4  11 o 255.386 18.330 14.027  1.9692 13.186  2.7952  14.856  2.7747 245.231 27.383 261.053 25.420 -15.82217      37.36342 
1 1 1 13  4  12 o 224.910 19.628 10.929  1.8508 8.5510  2.5706  13.489  2.6668 195.262 32.210 248.397 25.724 -53.13506      41.22120 
1 1 1 13  4  13 o 213.110 20.182 9.8494  1.7997 8.7086  2.5259  11.026  2.5650 196.978 31.328 223.380 27.709 -26.40114      41.82414 
1 1 1 13  4  14 o 162.029 22.566 5.7782  1.5064 7.0483  2.1523  4.5587  2.1091 177.060 29.760 140.450 35.455 36.61009       46.28957 
1 1 1 13  4  15 o 231.831 19.926 11.652  1.9373 12.834  2.8429  10.627  2.6470 240.614 28.450 218.350 29.371 22.26448       40.89112 
1 1 1 13  5  0  o 441.257 16.425 41.382  3.0694 39.807  4.3045  43.012  4.3780 431.282 23.658 448.460 23.131 -17.17746      33.08678 
1 1 1 13  5  1  o 490.698 16.427 51.188  3.4136 46.629  4.7409  56.095  4.9192 466.675 24.070 512.768 22.653 -46.09232      33.05360 
1 1 1 13  5  2  o 299.380 24.689 19.287  3.1023 15.949  4.4458  22.455  4.3311 268.269 40.384 321.496 32.246 -53.22729      51.67852 
1 1 1 13  5  3  o 487.975 23.732 50.901  4.9042 44.139  6.7057  58.677  7.1909 450.501 35.435 520.726 32.776 -70.22501      48.26848 
1 1 1 13  5  4  o 540.506 16.590 62.169  3.7973 65.213  5.3604  59.104  5.3802 552.333 22.917 525.547 24.174 26.78540       33.30956 
1 1 1 13  5  5  o 584.185 16.773 72.657  4.1496 67.438  5.7951  78.149  5.9446 561.120 24.387 604.360 23.226 -43.24023      33.67779 
1 1 1 13  5  6  o 475.236 16.706 48.096  3.3621 50.053  4.7231  46.085  4.7871 483.568 23.064 463.061 24.498 20.50681       33.64680 
1 1 1 13  5  7  o 335.315 17.411 24.027  2.4639 27.277  3.5165  20.893  3.4534 356.055 23.452 310.691 26.500 45.36356       35.38725 
1 1 1 13  5  8  o 506.192 16.775 54.616  3.5961 57.323  5.0757  51.889  5.0955 517.033 23.181 491.561 24.478 25.47214       33.71230 
1 1 1 13  5  9  o 777.053 35.220 132.113 11.590 0.0000  0.0000  132.113 11.590 ?       ?      777.053 35.220 0.000000       35.22012 
1 1 1 13  5  10 o 301.848 37.065 20.353  4.6385 0.0000  0.0000  20.353  4.6385 ?       ?      301.848 37.065 0.000000       37.06515 
1 1 1 13  5  11 o 305.935 17.760 20.084  2.2911 18.168  3.2476  21.983  3.2326 288.427 26.899 318.380 24.155 -29.95319      36.15252 
1 1 1 13  5  12 o 346.473 17.603 25.752  2.5743 27.430  3.6278  24.050  3.6536 355.588 24.235 332.188 26.184 23.39941       35.67835 
1 1 1 13  5  13 o 230.446 19.164 11.480  1.8533 11.563  2.6413  11.400  2.6010 228.734 27.841 227.181 27.602 1.553467       39.20476 
1 1 1 13  5  14 o 225.833 19.978 11.061  1.8909 8.9059  2.5979  13.489  2.7575 198.697 31.957 247.402 26.745 -48.70450      41.67178 
1 1 1 13  5  15 o 203.784 20.594 9.0371  1.7529 6.4441  2.4613  11.705  2.4969 167.103 35.855 230.496 26.036 -63.39284      44.31088 
1 1 1 13  6  0  o 714.213 16.562 108.431 5.0095 106.076 7.0092  110.890 7.1623 705.038 23.475 720.864 23.462 -15.82574      33.18940 
1 1 1 13  6  1  o 742.726 16.703 117.299 5.2537 119.055 7.3704  115.485 7.4907 746.784 23.305 735.309 24.055 11.47498       33.49291 
1 1 1 13  6  2  o 625.777 19.211 83.413  5.0912 84.553  8.6999  82.820  6.2785 625.625 32.953 622.557 23.814 3.068359       40.65695 
1 1 1 13  6  3  o 799.479 24.237 136.714 8.2059 119.576 11.330  155.624 11.901 743.208 35.996 849.304 33.089 -106.0964      48.89415 
1 1 1 13  6  4  o 329.024 17.481 23.116  2.4271 27.713  3.5118  18.913  3.3582 359.261 23.206 295.668 27.122 63.59396       35.69497 
1 1 1 13  6  5  o 350.427 17.283 26.155  2.5648 27.871  3.6400  24.462  3.6146 359.992 24.014 336.812 25.531 23.18008       35.04965 
1 1 1 13  6  6  o 387.887 16.861 32.046  2.7697 32.017  3.8804  32.077  3.9546 385.867 23.864 386.115 24.309 -0.2485962     34.06438 
1 1 1 13  6  7  o 408.631 16.871 35.578  2.9196 37.525  4.1360  33.644  4.1218 417.819 23.470 395.215 24.752 22.60345       34.11011 
1 1 1 13  6  8  f 392.116 16.983 32.783  2.8201 33.798  4.0030  31.783  3.9735 396.093 23.977 383.892 24.570 12.20120       34.33083 
1 1 1 13  6  9  o 473.259 35.014 49.258  6.9678 0.0000  0.0000  49.258  6.9678 ?       ?      473.259 35.014 0.000000       35.01423 
1 1 1 13  6  10 o 290.398 25.192 18.334  3.0674 15.195  4.1960  21.936  4.4953 259.220 39.469 314.560 34.301 -55.33936      52.29128 
1 1 1 13  6  11 o 699.757 19.807 105.001 5.8695 102.763 7.1497  109.626 10.279 689.987 24.468 706.143 34.373 -16.15668      42.19235 
1 1 1 13  6  12 o 320.487 17.908 22.057  2.4208 17.966  3.3677  26.432  3.4824 286.103 28.160 349.168 23.690 -63.06525      36.79951 
1 1 1 13  6  13 o 220.063 23.283 10.582  2.1369 6.7882  3.8931  12.217  2.5565 168.757 50.523 235.763 26.039 -67.00591      56.83864 
1 1 1 13  6  14 o 437.845 20.333 41.304  3.7702 45.914  6.6823  39.151  4.5664 452.836 35.120 423.459 25.584 29.37726       43.45013 
1 1 1 13  6  15 o 524.654 20.096 59.287  4.4651 59.310  7.7220  59.275  5.4727 514.478 35.662 522.334 24.741 -7.855713      43.40378 
1 1 1 13  7  0  o 308.904 20.109 20.409  2.6163 23.724  4.4943  18.710  3.2178 330.663 32.515 294.680 26.053 35.98346       41.66508 
1 1 1 13  7  1  o 510.507 23.572 55.660  5.0961 61.850  7.1672  49.332  7.2474 535.390 31.753 476.573 36.179 58.81717       48.13715 
1 1 1 13  7  2  f 628.194 23.904 84.353  6.3594 0.0000  0.0000  84.353  6.3594 ?       ?      628.194 23.904 0.000000       23.90429 
1 1 1 13  7  3  o 568.621 23.916 69.156  5.7590 60.405  7.8766  79.208  8.4417 527.156 35.489 604.938 33.077 -77.78265      48.51322 
1 1 1 13  7  4  o 586.749 19.378 73.415  4.8152 77.673  8.2371  71.204  5.9349 598.847 32.603 576.687 24.301 22.16003       40.66299 
1 1 1 13  7  5  o 342.676 20.262 25.154  2.9273 22.964  4.8627  26.399  3.6661 323.271 36.138 350.076 24.890 -26.80527      43.87997 
1 1 1 13  7  6  o 385.710 20.083 31.854  3.2691 30.835  5.6362  32.370  4.0132 374.959 35.935 387.781 24.565 -12.82205      43.52840 
1 1 1 13  7  7  o 637.276 19.641 86.737  5.3007 88.340  9.1151  85.918  6.5157 636.924 33.915 632.819 24.313 4.104858       41.72992 
1 1 1 13  7  8  f 202.969 23.393 8.9526  1.9739 8.6171  3.4216  9.1200  2.4166 193.908 42.812 203.569 28.838 -9.661301      51.61873 
1 1 1 13  7  9  o 624.276 34.775 85.570  9.1572 0.0000  0.0000  85.570  9.1572 ?       ?      624.276 34.775 0.000000       34.77528 
1 1 1 13  7  10 f 252.766 39.089 14.455  4.0492 0.0000  0.0000  14.455  4.0492 ?       ?      252.766 39.089 0.000000       39.08883 
1 1 1 13  7  11 o 310.031 26.062 20.942  3.3900 18.860  4.8326  22.959  4.7568 288.355 40.706 320.971 35.594 -32.61575      54.07305 
1 1 1 13  7  12 o 388.918 20.375 32.584  3.3441 33.336  5.7617  32.202  4.1066 386.783 35.574 384.840 25.339 1.942993       43.67599 
1 1 1 13  7  13 o 447.951 20.150 43.181  3.8225 39.414  6.4699  45.201  4.7379 418.821 36.853 455.893 24.632 -37.07211      44.32641 
1 1 1 13  7  14 o 399.647 20.375 34.504  3.4369 27.790  5.7958  38.145  4.2683 348.770 39.962 418.589 24.181 -69.81876      46.70817 
1 1 1 13  7  15 o 337.614 25.762 24.950  3.6555 24.319  5.2704  25.535  5.0746 326.688 38.857 336.378 36.192 -9.690643      53.10147 
1 1 1 13  8  0  o 656.395 19.111 91.735  5.3124 87.706  8.9794  93.904  6.5894 637.416 33.381 663.188 23.462 -25.77197      40.80100 
1 1 1 13  8  1  o 853.006 23.954 155.486 8.6532 150.441 12.064  160.832 12.419 835.154 34.110 863.586 33.957 -28.43268      48.13073 
1 1 1 13  8  2  o 324.965 25.003 22.729  3.4145 0.0000  0.0000  22.729  3.4145 ?       ?      324.965 25.003 0.000000       25.00282 
1 1 1 13  8  3  o 409.361 24.088 35.978  4.1575 36.854  5.7094  34.989  6.0660 411.887 33.009 400.245 36.179 11.64191       48.97429 
1 1 1 13  8  4  o 670.350 19.470 95.850  5.5272 86.531  9.3254  100.896 6.8624 630.906 35.041 686.598 23.601 -55.69196      42.24769 
1 1 1 13  8  5  o 478.466 19.343 48.846  3.9194 43.411  6.5804  51.834  4.8793 445.918 35.131 492.014 23.417 -46.09595      42.21987 
1 1 1 13  8  6  f 454.258 19.417 44.047  3.7353 41.539  6.3579  45.370  4.6160 436.031 34.719 459.508 23.802 -23.47678      42.09442 
1 1 1 13  8  7  f 207.971 23.833 9.3937  2.0612 13.715  3.4990  7.0972  2.5507 249.094 34.061 177.685 35.142 71.40970       48.94032 
1 1 1 13  8  8  o 396.669 24.517 33.948  4.0984 29.975  5.6358  38.408  5.9706 368.404 36.608 418.551 33.977 -50.14761      49.94621 
1 1 1 13  8  9  o 381.360 36.354 32.231  5.8002 0.0000  0.0000  32.231  5.8002 ?       ?      381.360 36.354 0.000000       36.35437 
1 1 1 13  8  10 o 176.629 44.021 7.2730  3.2810 0.0000  0.0000  7.2730  3.2810 ?       ?      176.629 44.021 0.000000       44.02087 
1 1 1 13  8  11 o 92.082  34.479 1.4533  1.8142 3.3741  2.7644  0.0000  2.4045 126.092 43.089 85.605  36.799 40.48686       56.66436 
1 1 1 13  8  12 o 206.206 24.290 9.3146  2.0805 5.7767  3.4830  11.277  2.5942 157.391 47.939 226.111 27.669 -68.71944      55.35072 
1 1 1 13  8  13 o 386.613 20.576 32.284  3.3567 29.259  5.7147  33.878  4.1477 359.531 38.114 394.259 24.970 -34.72787      45.56528 
1 1 1 13  8  14 o 288.165 21.678 18.035  2.6261 16.310  4.3911  18.995  3.2766 266.043 40.230 293.959 26.609 -27.91528      48.23391 
1 1 1 13  9  0  o 279.777 20.889 16.779  2.4571 18.129  4.2771  16.113  3.0019 287.627 35.895 273.165 26.274 14.46252       44.48297 
1 1 1 13  9  1  o 528.188 23.061 59.595  5.1584 54.085  7.1223  65.675  7.4812 499.576 33.865 551.304 32.183 -51.72830      46.71774 
1 1 1 13  9  2  o 319.760 24.975 22.017  3.3552 0.0000  0.0000  22.017  3.3552 ?       ?      319.760 24.975 0.000000       24.97535 
1 1 1 13  9  3  o 428.572 24.301 39.444  4.3924 34.623  6.0531  44.806  6.3837 397.951 36.317 454.125 33.428 -56.17380      49.35976 
1 1 1 13  9  4  o 254.765 22.287 13.982  2.3803 15.249  3.9961  13.285  2.9634 262.460 36.978 246.839 28.896 15.62057       46.92882 
1 1 1 13  9  5  o 384.566 20.193 31.667  3.2771 33.050  5.3980  30.860  4.1240 389.348 33.050 378.263 25.900 11.08414       41.98981 
1 1 1 13  9  6  o 328.962 20.930 23.225  2.9007 22.723  4.7725  23.519  3.6528 321.325 35.674 329.762 26.377 -8.436737      44.36681 
1 1 1 13  9  7  o 346.105 20.282 25.696  2.9598 25.758  5.0910  25.664  3.6377 341.996 35.676 344.720 25.090 -2.724030      43.61535 
1 1 1 13  9  8  o 277.444 27.009 16.759  3.1331 16.880  4.4519  16.641  4.4103 274.327 39.456 272.379 39.377 1.947693       55.74291 
1 1 1 13  9  9  o 328.232 25.736 23.398  3.5488 0.0000  0.0000  23.398  3.5488 ?       ?      328.232 25.736 0.000000       25.73634 
1 1 1 13  9  10 o 258.443 26.636 14.610  2.8735 14.947  4.0975  14.284  4.0307 257.017 38.859 251.004 39.201 6.013367       55.19659 
1 1 1 13  9  11 o 442.905 24.495 42.502  4.5766 46.462  6.5168  38.649  6.4286 458.536 33.798 416.363 36.839 42.17270       49.99387 
1 1 1 13  9  12 o 263.471 22.045 15.065  2.4371 13.470  4.0989  15.937  3.0311 241.744 41.534 269.475 26.921 -27.73117      49.49567 
1 1 1 13  9  13 o 250.997 22.636 13.729  2.3802 14.619  4.1246  13.284  2.9144 251.983 39.987 244.810 28.653 7.173065       49.19325 
1 1 1 13  9  14 o 315.499 21.302 21.586  2.8296 16.216  4.7004  24.637  3.5436 263.344 43.678 335.658 25.111 -72.31396      50.38166 
1 1 1 13  10 0  o 374.404 19.562 29.948  3.0909 28.025  5.1770  31.012  3.8529 358.777 34.498 380.170 24.055 -21.39294      42.05716 
1 1 1 13  10 1  o 468.447 23.108 46.895  4.5843 40.590  6.3133  53.927  6.6675 432.018 34.802 499.387 31.691 -67.36887      47.06953 
1 1 1 13  10 2  o 505.047 24.006 54.578  5.1344 0.0000  0.0000  54.578  5.1344 ?       ?      505.047 24.006 0.000000       24.00580 
1 1 1 13  10 3  o 422.408 23.827 38.313  4.2449 35.463  5.7708  41.674  6.2662 403.390 34.100 437.511 34.089 -34.12094      48.21693 
1 1 1 13  10 4  o 367.478 19.952 28.909  3.0934 29.410  5.1785  28.631  3.8573 367.018 33.694 364.539 25.139 2.479492       42.03870 
1 1 1 13  10 5  f 676.869 19.563 97.808  5.6078 84.255  9.4108  105.270 6.9830 621.307 35.920 700.945 23.524 -79.63818      42.93731 
1 1 1 13  10 6  o 460.213 19.716 45.240  3.8426 37.807  6.4866  49.259  4.7696 414.561 37.348 479.345 23.496 -64.78394      44.12432 
1 1 1 13  10 7  o 777.745 19.847 129.314 6.5371 116.817 11.008  136.122 8.1247 731.561 35.533 796.158 24.097 -64.59680      42.93335 
1 1 1 13  10 8  o 305.894 26.210 20.325  3.3625 16.540  4.5886  24.716  4.9415 270.551 41.363 334.254 35.450 -63.70398      54.47538 
1 1 1 13  10 9  o 246.621 28.359 13.358  2.9080 0.0000  0.0000  13.358  2.9080 ?       ?      246.621 28.359 0.000000       28.35913 
1 1 1 13  10 10 o 404.124 24.460 35.385  4.1665 31.348  5.8094  39.661  5.9789 374.775 37.090 423.792 33.589 -49.01614      50.03872 
1 1 1 13  10 11 o 398.822 24.769 34.519  4.1627 34.460  5.8380  34.580  5.9371 393.574 35.405 393.956 35.983 -0.3822327     50.48098 
1 1 1 13  10 12 o 135.906 29.661 4.1901  1.6592 6.5397  2.8546  2.9914  2.0390 167.334 40.678 116.206 36.885 51.12823       54.91121 
1 1 1 13  10 13 o 278.801 22.186 16.904  2.5978 12.241  4.2812  19.622  3.2683 227.058 46.097 299.063 26.066 -72.00497      52.95646 
1 1 1 13  10 14 o 164.360 29.382 6.0960  1.9701 3.2409  3.4080  7.5290  2.4144 127.710 47.367 181.984 32.522 -54.27331      57.45687 
1 1 1 13  11 0  o 400.486 23.158 34.384  3.9109 32.148  5.2687  37.128  5.8364 384.855 32.634 413.477 33.622 -28.62164      46.85573 
1 1 1 13  11 1  o 445.345 24.335 42.565  4.5722 0.0000  0.0000  42.565  4.5722 ?       ?      445.345 24.335 0.000000       24.33491 
1 1 1 13  11 2  o 364.606 19.791 28.440  3.0445 22.840  5.1113  31.519  3.7902 321.927 38.239 383.119 23.474 -61.19186      44.86921 
1 1 1 13  11 3  f 162.995 33.356 5.9496  2.2249 6.7244  3.1575  5.1856  3.1355 171.742 43.396 152.120 45.296 19.62195       62.72930 
1 1 1 13  11 4  o 358.972 20.154 27.603  3.0514 20.581  5.0348  31.680  3.8363 304.338 40.036 383.827 23.717 -79.48926      46.53394 
1 1 1 13  11 5  f 323.243 20.395 22.413  2.7776 25.029  4.8033  21.099  3.4045 337.955 34.024 312.319 25.976 25.63608       42.80621 
1 1 1 13  11 6  o 535.131 19.638 61.180  4.4504 49.088  7.3956  68.044  5.5723 472.599 37.254 563.317 23.358 -90.71838      43.97112 
1 1 1 13  11 7  o 431.026 19.991 39.737  3.6490 36.293  6.0797  41.677  4.5621 406.078 35.716 439.632 24.603 -33.55374      43.36998 
1 1 1 13  11 8  o 478.210 24.275 49.359  4.9000 49.381  6.8195  49.334  7.0452 473.945 34.207 473.093 35.422 0.8525085      49.24205 
1 1 1 13  11 9  o 578.325 24.354 72.163  5.9647 0.0000  0.0000  72.163  5.9647 ?       ?      578.325 24.354 0.000000       24.35418 
1 1 1 13  11 10 o 325.322 25.582 23.034  3.4960 21.148  4.8798  25.023  5.0110 306.485 38.442 334.930 35.888 -28.44476      52.59040 
1 1 1 13  11 11 o 187.535 30.903 7.8804  2.3688 3.7459  3.2777  12.401  3.4274 133.361 46.850 234.470 35.639 -101.1086      58.86449 
1 1 1 13  11 12 o 156.019 27.698 5.4564  1.7630 7.3081  3.0160  4.4952  2.1730 176.687 41.085 139.487 36.400 37.20001       54.89018 
1 1 1 13  11 13 o 183.675 25.881 7.4826  1.9573 10.658  3.3636  5.8569  2.4068 214.884 38.370 158.842 36.539 56.04144       52.98439 
1 1 1 13  11 14 o 217.663 23.539 10.389  2.1352 8.9081  3.6715  11.146  2.6247 192.921 45.651 223.892 28.315 -30.97141      53.71883 
1 1 1 13  12 0  o 413.112 23.121 36.593  4.0288 34.833  5.4546  38.707  5.9761 400.596 32.431 422.006 33.721 -21.40991      46.78491 
1 1 1 13  12 1  o 220.330 29.385 10.620  2.6735 0.0000  0.0000  10.620  2.6735 ?       ?      220.330 29.385 0.000000       29.38459 
1 1 1 13  12 2  o 236.036 22.200 12.014  2.1930 9.7132  3.5489  13.435  2.7893 207.190 41.887 248.728 26.910 -41.53804      49.78598 
1 1 1 13  12 3  o 443.226 19.460 41.924  3.6527 47.221  6.1834  39.085  4.5269 466.466 31.486 426.119 25.198 40.34692       40.32719 
1 1 1 13  12 4  o 1094.21 20.768 255.898 9.6237 225.769 16.208  272.304 11.960 1017.07 37.630 1126.36 25.074 -109.2883      45.21841 
1 1 1 13  12 5  o 731.583 19.508 114.306 6.0440 121.418 10.289  110.559 7.4684 748.361 32.465 717.695 24.572 30.66608       40.71555 
1 1 1 13  12 6  o 282.899 21.438 17.229  2.5493 17.408  4.2820  17.130  3.1728 279.964 37.024 280.742 27.020 -0.7781982     45.83552 
1 1 1 13  12 7  f 766.525 19.741 125.696 6.4082 113.065 10.801  132.558 7.9606 718.854 35.480 785.285 23.937 -66.43115      42.79978 
1 1 1 13  12 8  o 370.263 24.732 29.686  3.8558 25.698  5.3961  33.847  5.5115 339.146 38.238 391.960 33.526 -52.81418      50.85430 
1 1 1 13  12 9  o 207.346 43.237 9.9716  3.6736 0.0000  0.0000  9.9716  3.6736 ?       ?      207.346 43.237 0.000000       43.23666 
1 1 1 13  12 10 o 433.152 19.969 40.272  3.6631 41.711  6.2608  39.524  4.5169 433.927 34.350 426.748 25.104 7.178711       42.54605 
1 1 1 13  12 11 o 304.947 21.482 20.119  2.7564 17.517  4.5880  21.589  3.4482 277.114 40.274 314.373 26.137 -37.25861      48.01138 
1 1 1 13  12 12 o 137.996 30.726 4.3422  1.7495 6.1559  3.0942  3.4899  2.1211 161.343 44.049 123.878 37.340 37.46502       57.74552 
1 1 1 13  12 13 f 155.590 28.332 5.4568  1.7980 7.5005  3.1600  4.4783  2.1865 177.940 42.515 138.823 36.652 39.11716       56.13279 
1 1 1 13  12 14 o 238.972 23.488 12.501  2.3464 10.121  3.9424  13.807  2.9198 205.463 46.405 249.551 28.118 -44.08817      54.25916 
1 1 1 13  13 0  o 96.625  33.012 1.8640  1.6226 2.0091  2.0937  1.6459  2.5675 103.963 37.347 105.328 40.642 -1.365265      55.19591 
1 1 1 13  13 1  o 710.290 23.836 108.019 7.1699 0.0000  0.0000  108.019 7.1699 ?       ?      710.290 23.836 0.000000       23.83599 
1 1 1 13  13 2  f 598.089 23.107 76.574  5.8528 78.872  8.0338  73.975  8.5439 603.404 31.548 582.913 34.769 20.49121       46.94864 
1 1 1 13  13 3  o 312.422 21.037 20.956  2.7672 18.610  4.6218  22.267  3.4549 289.548 38.657 321.044 25.625 -31.49622      46.37889 
1 1 1 13  13 4  o 458.749 19.421 44.939  3.7731 42.236  6.3852  46.389  4.6770 439.512 34.585 464.515 23.856 -25.00290      42.01417 
1 1 1 13  13 5  o 396.173 19.928 33.626  3.3328 25.830  5.6312  37.829  4.1348 340.964 39.744 419.367 23.375 -78.40308      46.10832 
1 1 1 13  13 6  o 363.526 20.271 28.357  3.1083 32.471  5.2825  26.178  3.8442 385.177 32.693 347.655 26.305 37.52136       41.96208 
1 1 1 13  13 7  o 391.880 24.206 33.170  3.9974 37.819  5.5578  28.188  5.7537 415.659 31.815 355.595 38.839 60.06454       50.20619 
1 1 1 13  13 8  o 435.614 23.954 41.021  4.4021 41.377  6.2078  40.662  6.2433 433.001 34.130 428.951 34.665 4.049805       48.64686 
1 1 1 13  13 9  o 252.488 41.518 14.591  4.2850 0.0000  0.0000  14.591  4.2850 ?       ?      252.488 41.518 0.000000       41.51824 
1 1 1 13  13 10 o 348.310 20.628 26.161  3.0292 24.633  5.0757  27.006  3.7752 331.539 36.770 352.266 25.478 -20.72763      44.73406 
1 1 1 13  13 11 o 315.271 21.245 21.503  2.8199 21.224  4.8141  21.649  3.4793 306.320 37.921 314.562 26.361 -8.242645      46.18330 
1 1 1 13  13 12 o 418.559 20.366 37.758  3.6099 39.391  6.1609  36.904  4.4547 419.166 35.028 410.928 25.728 8.237549       43.46097 
1 1 1 13  13 13 o 415.969 20.177 37.315  3.5544 42.393  6.0973  34.702  4.3746 435.530 33.311 397.943 26.103 37.58746       42.31957 
1 1 1 13  13 14 o 182.026 33.394 7.5670  2.4794 6.8448  3.4798  8.3116  3.5336 168.691 46.974 186.288 45.241 -17.59724      65.21756 
1 1 1 13  14 0  o 244.217 27.621 12.974  2.8064 0.0000  0.0000  12.974  2.8064 ?       ?      244.217 27.621 0.000000       27.62077 
1 1 1 13  14 1  o 496.134 18.650 52.493  3.9185 50.937  6.5250  53.371  4.9006 484.413 31.987 499.302 23.176 -14.88983      39.50068 
1 1 1 13  14 2  o 628.936 23.240 84.729  6.1901 97.241  8.5502  70.947  8.9733 671.187 30.081 569.231 37.432 101.9556       48.02122 
1 1 1 13  14 3  o 424.187 23.624 38.690  4.2270 37.686  5.8460  39.789  6.1191 415.455 33.512 426.711 34.148 -11.25522      47.84502 
1 1 1 13  14 4  o 661.651 19.273 93.496  5.4003 88.750  9.0283  96.140  6.7387 638.342 33.514 669.456 23.769 -31.11420      41.08733 
1 1 1 13  14 5  o 487.976 19.393 50.883  4.0077 51.112  6.8763  50.765  4.9320 483.542 33.792 486.253 23.951 -2.711029      41.41930 
1 1 1 13  14 6  o 301.067 21.379 19.518  2.7081 20.605  4.5557  18.925  3.3677 304.886 35.977 294.892 27.275 9.994080       45.14721 
1 1 1 13  14 7  o 624.092 23.742 83.846  6.2750 75.409  8.6248  93.335  9.1466 585.365 34.951 652.614 33.205 -67.24878      48.20942 
1 1 1 13  14 8  o 194.562 44.112 8.8261  3.5509 0.0000  0.0000  8.8261  3.5509 ?       ?      194.562 44.112 0.000000       44.11231 
1 1 1 13  14 9  o 302.007 25.591 19.883  3.2422 18.263  4.3420  21.923  4.8744 285.033 36.833 312.284 37.615 -27.25055      52.64510 
1 1 1 13  14 10 o 167.459 27.622 6.2489  1.8906 6.8669  3.1258  5.8924  2.3740 171.186 43.135 160.196 35.885 10.99071       56.11020 
1 1 1 13  14 11 o 351.143 20.728 26.647  3.0687 27.500  5.2072  26.193  3.7984 350.025 35.625 346.096 26.107 3.928345       44.16745 
1 1 1 13  14 12 o 249.034 28.103 13.745  2.9120 19.089  4.0240  7.8696  4.2193 291.602 33.176 179.388 52.314 112.2141       61.94714 
1 1 1 13  14 13 o 409.455 20.161 36.167  3.4960 34.883  5.8644  36.874  4.3542 393.206 35.604 410.640 25.160 -17.43381      43.59645 
1 1 1 13  15 0  o 548.388 23.181 64.387  5.3835 0.0000  0.0000  64.387  5.3835 ?       ?      548.388 23.181 0.000000       23.18127 
1 1 1 13  15 1  o 483.557 18.534 49.878  3.7955 54.308  6.2701  47.316  4.7684 500.873 29.692 469.200 24.079 31.67377       38.22832 
1 1 1 13  15 2  o 799.766 23.442 137.100 7.9395 141.493 10.939  132.210 11.542 808.280 31.956 779.608 34.960 28.67145       47.36415 
1 1 1 13  15 3  o 281.994 26.417 17.252  3.1180 18.484  4.2181  15.768  4.6296 289.412 35.136 264.393 42.811 25.01834       55.38355 
1 1 1 13  15 4  o 532.690 19.172 60.616  4.3250 63.871  7.1844  58.766  5.4164 541.960 31.438 523.063 24.452 18.89746       39.82722 
1 1 1 13  15 5  o 355.816 20.268 27.174  3.0414 26.677  5.0165  27.463  3.8245 348.151 34.477 356.321 25.514 -8.169403      42.89111 
1 1 1 13  15 6  o 249.470 22.627 13.471  2.3645 13.521  3.8611  13.441  2.9909 245.099 38.465 247.464 29.095 -2.365158      48.22947 
1 1 1 13  15 7  o 427.067 23.777 39.419  4.2832 34.821  5.9653  44.312  6.1537 396.144 35.949 448.978 32.587 -52.83417      48.52052 
1 1 1 13  15 8  o 467.786 34.452 48.446  6.7771 0.0000  0.0000  48.446  6.7771 ?       ?      467.786 34.452 0.000000       34.45233 
1 1 1 13  15 9  o 454.322 24.630 44.774  4.7211 46.566  6.5178  42.796  6.8477 458.600 33.798 437.471 37.319 21.12903       50.34889 
1 1 1 13  15 10 o 172.549 26.427 6.6065  1.8696 4.6845  3.0555  7.7567  2.3638 143.118 45.125 185.775 31.148 -42.65744      54.83060 
1 1 1 13  15 11 o 197.574 25.304 8.6147  2.0686 11.117  3.4905  7.2601  2.5682 219.505 38.976 177.794 35.354 41.71117       52.62152 
1 1 1 13  15 12 o 393.909 25.171 33.935  4.1770 32.365  5.7189  35.731  6.1154 378.374 36.129 397.261 36.767 -18.88757      51.54739 
1 1 1 13  15 13 o 177.221 26.860 7.0125  1.9527 5.8647  2.9372  7.9215  2.6140 157.047 42.934 185.770 34.496 -28.72324      55.07528 
1 1 1 13  16 0  o 360.294 23.996 27.950  3.6404 0.0000  0.0000  27.950  3.6404 ?       ?      360.294 23.996 0.000000       23.99621 
1 1 1 13  16 1  o 367.736 19.397 28.955  3.0100 29.389  4.9813  28.706  3.7776 366.908 32.391 364.925 24.587 1.983826       40.66597 
1 1 1 13  16 2  o 318.168 19.731 21.710  2.6455 21.623  4.4658  21.758  3.2836 313.618 34.178 317.403 24.621 -3.784882      42.12297 
1 1 1 13  16 3  o 240.674 22.871 12.527  2.3031 13.572  3.7663  11.903  2.9107 246.619 37.220 232.728 30.248 13.89081       47.96111 
1 1 1 13  16 4  o 370.013 19.954 29.363  3.1152 27.105  5.1253  30.686  3.9231 350.849 34.960 377.026 24.707 -26.17764      42.80962 
1 1 1 13  16 5  o 336.642 20.492 24.355  2.9075 25.183  4.7931  23.874  3.6573 338.107 33.933 331.727 26.248 6.380310       42.89958 
1 1 1 13  16 6  o 265.062 27.231 15.354  3.0133 20.227  4.1026  9.6459  4.4404 302.762 32.506 201.779 51.723 100.9829       61.08911 
1 1 1 13  16 7  o 348.379 20.654 26.150  3.0336 35.475  5.2329  21.429  3.7231 401.886 30.986 312.781 28.418 89.10556       42.04377 
1 1 1 13  16 8  o 119.856 43.423 2.8268  2.8379 0.0000  0.0000  2.8268  2.8379 ?       ?      119.856 43.423 0.000000       43.42339 
1 1 1 13  16 9  o 554.559 23.890 66.485  5.6107 67.863  7.7637  64.978  8.1175 554.112 33.238 540.458 35.667 13.65485       48.75357 
1 1 1 13  16 10 o 259.207 22.832 14.625  2.4808 11.011  4.1607  16.618  3.0901 215.332 46.950 275.047 26.872 -59.71510      54.09609 
1 1 1 13  16 11 o 531.381 19.844 60.830  4.4655 51.708  7.4419  65.963  5.5822 478.728 36.994 551.218 23.913 -72.48892      44.05024 
1 1 1 13  16 12 o 283.150 26.556 17.677  3.1471 21.254  4.4655  14.148  4.4361 306.440 35.040 244.482 44.484 61.95709       56.62729 
1 1 1 13  16 13 o 156.437 29.558 5.5534  1.8864 -1.1692 3.1141  9.4503  2.3709 87.590  39.535 205.821 27.922 -118.2315      48.40077 
1 1 1 13  17 0  o 454.946 18.205 44.160  3.5075 37.303  5.6079  48.566  4.4952 413.640 32.269 476.206 22.290 -62.56601      39.21875 
1 1 1 13  17 1  o 267.689 25.319 15.533  2.8362 16.675  4.0031  14.382  4.0189 274.592 35.237 253.607 38.641 20.98526       52.29536 
1 1 1 13  17 2  o 254.806 21.441 13.996  2.2921 9.4399  3.8260  16.547  2.8627 202.379 45.720 276.448 24.713 -74.06860      51.97152 
1 1 1 13  17 3  o 266.290 21.548 15.286  2.4091 14.979  3.9589  15.466  3.0360 259.171 37.131 266.465 27.289 -7.294556      46.08030 
1 1 1 13  17 4  o 251.356 22.242 13.655  2.3431 12.163  3.8700  14.519  2.9441 231.560 40.963 257.940 27.370 -26.38042      49.26544 
1 1 1 13  17 5  o 222.363 24.050 10.761  2.2287 9.7842  3.6390  11.347  2.8192 206.120 43.077 226.738 30.105 -20.61842      52.55391 
1 1 1 13  17 6  o 127.005 37.855 3.6323  2.1891 2.4622  2.9989  4.9671  3.2028 117.681 44.278 147.826 46.135 -30.14501      63.94509 
1 1 1 13  17 7  o 255.413 27.673 14.334  2.9454 0.0000  0.0000  14.334  2.9454 ?       ?      255.413 27.673 0.000000       27.67290 
1 1 1 13  17 8  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 13  17 9  o 665.625 19.494 95.175  5.4950 100.386 9.3192  92.398  6.8036 674.990 32.601 653.083 24.600 21.90662       40.84115 
1 1 1 13  17 10 o 128.830 32.095 3.8041  1.7446 6.6961  3.0973  2.4603  2.1113 168.238 43.237 108.676 37.634 59.56121       57.32153 
1 1 1 13  17 11 o 274.711 21.664 16.421  2.4999 17.797  4.1710  15.649  3.1230 279.751 36.045 265.694 28.186 14.05777       45.75718 
1 1 1 13  17 12 o 424.200 25.181 39.394  4.5034 38.133  6.1364  40.865  6.6298 410.700 35.634 423.982 37.304 -13.28183      51.58853 
1 1 1 13  17 13 o 175.906 34.415 7.1266  2.4719 8.5449  3.4771  5.6774  3.5149 188.875 44.247 154.285 48.360 34.58983       65.54703 
1 1 1 13  18 0  o 213.672 22.001 9.8797  1.9624 6.7481  3.1267  11.915  2.5206 171.470 43.106 233.977 25.872 -62.50667      50.27348 
1 1 1 13  18 1  o 284.747 24.879 17.557  2.9699 15.432  4.0969  19.911  4.3116 262.942 37.885 300.464 34.511 -37.52216      51.24726 
1 1 1 13  18 2  o 416.323 18.767 37.029  3.3087 39.774  5.4927  35.465  4.1452 427.357 30.551 405.548 24.247 21.80930       39.00335 
1 1 1 13  18 3  o 167.165 28.838 6.2077  1.9678 8.6723  3.3375  4.8944  2.4363 194.551 41.757 146.524 38.690 48.02673       56.92582 
1 1 1 13  18 4  o 194.057 24.723 8.2350  1.9856 9.2697  3.5002  7.7439  2.4111 200.767 42.492 186.231 31.707 14.53596       53.01859 
1 1 1 13  18 5  o 600.792 18.963 77.281  4.8246 75.704  7.9506  78.201  6.0700 587.851 32.058 602.453 23.792 -14.60144      39.92156 
1 1 1 13  18 6  o 164.704 35.578 6.2014  2.4091 -2.4362 3.1438  18.489  3.7497 81.609  37.893 289.262 31.098 -207.6532      49.02032 
1 1 1 13  18 7  o 469.898 24.535 47.907  4.8655 0.0000  0.0000  47.907  4.8655 ?       ?      469.898 24.535 0.000000       24.53498 
1 1 1 13  18 8  o 165.090 45.309 6.4253  3.2638 0.0000  0.0000  6.4253  3.2638 ?       ?      165.090 45.309 0.000000       45.30890 
1 1 1 13  18 9  o 205.018 24.181 9.2243  2.0591 10.475  3.5594  8.5953  2.5244 212.364 41.063 195.435 31.577 16.92865       51.80044 
1 1 1 13  18 10 o 279.326 21.642 16.959  2.5401 13.961  4.2347  18.644  3.1747 244.443 42.447 291.333 26.005 -46.89070      49.77997 
1 1 1 13  18 11 o 192.639 26.786 8.2664  2.1261 10.439  3.7441  7.2322  2.5830 209.500 43.618 176.717 35.742 32.78247       56.39186 
1 1 1 13  18 12 o 179.678 34.506 7.4401  2.5302 6.3044  3.4391  8.7803  3.7359 161.528 47.266 190.225 46.716 -28.69624      66.45639 
1 1 1 13  19 0  f 194.208 23.274 8.2063  1.8760 11.084  3.0202  6.3985  2.3938 223.572 32.881 168.395 34.721 55.17688       47.81964 
1 1 1 13  19 1  o 786.614 22.542 132.742 7.5093 121.998 10.207  145.416 11.087 749.086 32.176 817.938 32.006 -68.85205      45.38412 
1 1 1 13  19 2  o 210.780 23.165 9.6518  2.0337 8.3876  3.4285  10.338  2.5260 190.780 43.412 216.979 28.154 -26.19893      51.74210 
1 1 1 13  19 3  o 305.520 19.861 20.066  2.5557 18.944  4.2641  20.695  3.1928 292.184 35.167 309.071 24.597 -16.88678      42.91500 
1 1 1 13  19 4  f 560.425 18.718 67.212  4.4425 68.537  7.4432  66.478  5.5369 559.733 31.529 555.664 23.530 4.068542       39.34074 
1 1 1 13  19 5  o 495.254 23.012 52.855  4.8265 52.089  6.5932  53.740  7.0848 486.684 32.171 493.231 34.128 -6.547485      46.90057 
1 1 1 13  19 6  o 84.171  31.840 1.1646  1.5556 2.3954  2.6095  0.4861  1.9375 112.736 41.517 82.050  34.018 30.68535       53.67387 
1 1 1 13  19 7  o 461.194 24.408 46.175  4.7502 0.0000  0.0000  46.175  4.7502 ?       ?      461.194 24.408 0.000000       24.40828 
1 1 1 13  19 8  o 319.822 37.207 23.086  4.9451 0.0000  0.0000  23.086  4.9451 ?       ?      319.822 37.207 0.000000       37.20656 
1 1 1 13  19 9  o 184.270 26.531 7.5410  2.0107 7.6887  3.5542  7.4714  2.4384 179.216 46.448 181.240 32.985 -2.023499      56.96901 
1 1 1 13  19 10 f 181.756 26.134 7.3507  1.9537 4.1433  3.4091  8.9194  2.3841 136.807 47.795 199.488 29.075 -62.68077      55.94411 
1 1 1 13  19 11 o 239.392 23.363 12.572  2.3384 15.319  4.0433  11.191  2.8663 257.617 38.220 222.707 31.252 34.91061       49.37008 
1 1 1 13  19 12 o 296.818 21.708 19.189  2.7097 17.628  4.5079  20.072  3.3907 275.686 39.761 301.433 26.843 -25.74701      47.97367 
1 1 1 13  20 0  o 610.015 22.177 79.824  5.7292 88.153  7.7882  70.001  8.4578 638.226 28.815 564.560 35.557 73.66541       45.76712 
1 1 1 13  20 1  o 363.255 18.792 28.283  2.8810 21.739  4.6425  32.381  3.6740 313.231 35.633 387.772 22.469 -74.54108      42.12527 
1 1 1 13  20 2  o 248.908 21.082 13.376  2.2014 15.534  3.5637  12.044  2.7993 265.131 32.415 234.102 28.846 31.02846       43.39105 
1 1 1 13  20 3  o 95.542  31.204 1.9288  1.4523 0.8137  2.2890  2.6802  1.8789 91.639  37.373 111.118 35.422 -19.47978      51.49256 
1 1 1 13  20 4  o 247.253 21.172 13.228  2.1956 8.6665  3.6377  15.842  2.7537 192.342 45.390 269.860 24.358 -77.51778      51.51291 
1 1 1 13  20 5  o 291.073 25.469 18.487  3.1079 19.038  4.4675  17.971  4.3263 290.744 37.132 282.394 37.071 8.350311       52.46914 
1 1 1 13  20 6  o 421.886 24.184 38.648  4.3028 0.0000  0.0000  38.648  4.3028 ?       ?      421.886 24.184 0.000000       24.18425 
1 1 1 13  20 7  o 316.714 34.532 22.456  4.5566 22.456  4.5566  0.0000  0.0000 316.714 34.532 ?       ?      0.000000       34.53224 
1 1 1 13  20 8  o 102.780 32.937 2.3054  1.6229 3.1766  2.7587  1.8443  2.0068 122.758 42.989 99.274  36.431 23.48408       56.35008 
1 1 1 13  20 9  o 165.887 26.726 6.1512  1.8137 0.6558  3.1733  8.8176  2.2104 101.588 42.919 199.211 26.888 -97.62319      50.64556 
1 1 1 13  20 10 o 317.819 20.427 21.913  2.7348 14.350  4.5794  26.106  3.4096 245.013 45.818 345.736 23.425 -100.7233      51.45948 
1 1 1 13  20 11 o 150.624 29.746 5.1756  1.8301 3.1724  3.0938  6.2538  2.2698 123.843 45.267 164.520 33.711 -40.67733      56.44022 
1 1 1 13  20 12 o 133.937 29.290 4.1040  1.6151 -1.8167 2.9833  6.5585  1.9209 81.417  37.487 170.851 27.480 -89.43350      46.48029 
1 1 1 13  21 0  o 309.936 23.496 20.768  3.0611 19.837  4.1829  21.843  4.4916 299.692 33.532 314.349 34.297 -14.65753      47.96529 
1 1 1 13  21 1  o 206.372 22.466 9.2533  1.9317 10.958  3.2769  8.3453  2.3914 220.731 36.319 193.883 30.102 26.84706       47.17184 
1 1 1 13  21 2  o 175.714 25.261 6.7929  1.8257 7.7605  2.9487  6.1913  2.3250 184.033 39.044 165.205 34.352 18.82843       52.00481 
1 1 1 13  21 3  o 169.754 25.262 6.3568  1.7608 6.9608  2.9184  6.0111  2.2078 173.457 40.470 162.849 33.141 10.60837       52.30822 
1 1 1 13  21 4  f 469.858 22.488 47.594  4.4747 38.113  6.0014  59.463  6.7149 414.247 34.524 520.450 30.601 -106.2031      46.13363 
1 1 1 13  21 5  o 217.747 22.165 10.328  2.0154 9.8079  3.4266  10.603  2.4920 205.697 40.778 219.066 27.465 -13.36940      49.16439 
1 1 1 13  21 6  o 554.406 23.614 66.524  5.5442 0.0000  0.0000  66.524  5.5442 ?       ?      554.406 23.614 0.000000       23.61390 
1 1 1 13  21 7  o 218.880 38.685 11.025  3.4547 11.025  3.4547  0.0000  0.0000 218.880 38.685 ?       ?      0.000000       38.68487 
1 1 1 13  21 8  o 411.634 19.487 36.477  3.3970 33.787  5.5845  38.057  4.2798 388.260 34.317 417.915 24.287 -29.65509      42.04190 
1 1 1 13  21 9  o 370.807 19.758 29.743  3.0915 30.931  5.2735  29.121  3.8161 370.703 33.970 364.668 24.858 6.035706       42.09353 
1 1 1 13  21 10 o 335.121 20.711 24.392  2.9250 20.473  4.8872  26.579  3.6511 297.051 39.854 347.950 24.943 -50.89929      47.01632 
1 1 1 13  21 11 o 209.165 24.240 9.6624  2.1074 6.5692  3.4497  11.504  2.6617 164.208 47.136 226.853 28.323 -62.64487      54.99094 
1 1 1 13  22 0  o 313.755 23.182 21.291  3.0585 18.006  4.2107  24.959  4.4500 284.227 35.774 336.981 31.550 -52.75433      47.69878 
1 1 1 13  22 1  o 472.819 22.150 48.067  4.4353 49.564  6.0836  46.369  6.4799 476.095 30.331 458.800 33.584 17.29492       45.25335 
1 1 1 13  22 2  o 322.241 19.251 22.336  2.6151 24.748  4.3237  20.945  3.2838 335.323 30.791 310.269 25.209 25.05435       39.79441 
1 1 1 13  22 3  o 294.330 23.721 18.829  2.9316 18.449  3.9925  19.272  4.3185 287.766 33.381 293.268 35.494 -5.501526      48.72531 
1 1 1 13  22 4  o 541.754 22.249 63.334  5.1045 56.395  6.9403  71.510  7.5340 504.884 32.634 569.667 31.350 -64.78317      45.25271 
1 1 1 13  22 5  o 360.967 24.170 28.357  3.6734 0.0000  0.0000  28.357  3.6734 ?       ?      360.967 24.170 0.000000       24.16987 
1 1 1 13  22 6  o 532.441 18.934 60.918  4.2694 73.445  7.2192  54.180  5.2945 577.899 29.598 498.779 25.146 79.11938       38.83733 
1 1 1 13  22 7  o 315.118 34.445 22.323  4.5218 22.323  4.5218  0.0000  0.0000 315.118 34.445 ?       ?      0.000000       34.44502 
1 1 1 13  22 8  o 262.393 20.944 14.969  2.3079 14.474  3.8725  15.242  2.8741 251.006 37.587 262.902 26.162 -11.89622      45.79567 
1 1 1 13  22 9  o 187.318 25.153 7.7927  1.9449 11.985  3.2347  5.4193  2.4340 228.979 34.423 151.635 37.983 77.34372       51.26110 
1 1 1 13  22 10 o 118.669 31.326 3.2493  1.5974 4.0016  2.7786  2.8779  1.9523 131.768 43.168 113.025 36.116 18.74364       56.28350 
1 1 1 13  22 11 o 135.895 30.085 4.2435  1.6857 0.3433  2.9891  6.0623  2.0412 95.957  41.133 162.840 30.726 -66.88298      51.34228 
1 1 1 13  23 0  o 526.365 21.800 59.575  4.8594 57.815  6.6192  61.633  7.1565 513.942 30.550 529.841 32.045 -15.89935      44.27398 
1 1 1 13  23 1  o 273.761 23.996 16.299  2.7539 14.248  3.7732  18.637  4.0285 251.464 36.498 289.453 33.482 -37.98952      49.52895 
1 1 1 13  23 2  o 358.690 23.277 27.894  3.5167 24.882  4.6518  31.911  5.3723 334.618 33.268 379.015 33.826 -44.39746      47.44416 
1 1 1 13  23 3  o 286.488 34.020 18.381  4.0467 18.381  4.0467  0.0000  0.0000 286.488 34.020 ?       ?      0.000000       34.01956 
1 1 1 13  23 4  o 83.354  30.786 1.2398  1.4366 2.2078  2.3142  0.6328  1.8325 107.199 39.155 81.628  33.382 25.57127       51.45330 
1 1 1 13  23 5  o 358.708 24.905 28.078  3.7599 0.0000  0.0000  28.078  3.7599 ?       ?      358.708 24.905 0.000000       24.90499 
1 1 1 13  23 6  f 236.286 26.235 12.309  2.5808 13.802  3.5927  10.718  3.7099 246.595 35.419 213.694 42.490 32.90109       55.31693 
1 1 1 13  23 7  o 493.367 34.169 54.550  7.0953 0.0000  0.0000  54.550  7.0953 ?       ?      493.367 34.169 0.000000       34.16935 
1 1 1 13  23 8  o 276.983 21.131 16.702  2.4599 19.812  4.1527  15.021  3.0533 295.880 33.745 259.820 28.202 36.05969       43.97827 
1 1 1 13  23 9  o 101.016 31.714 2.2769  1.5110 2.2616  2.5974  2.2847  1.8576 109.447 41.202 103.355 35.322 6.092590       54.26994 
1 1 1 13  23 10 o 234.596 22.687 12.082  2.2258 11.290  3.8347  12.485  2.7335 217.154 43.218 236.455 27.830 -19.30028      51.40338 
1 1 1 13  24 0  o 404.886 22.659 35.456  3.8696 44.276  5.4178  26.271  5.5289 449.890 28.585 341.211 38.961 108.6793       48.32191 
1 1 1 13  24 1  o 282.952 24.402 17.454  2.8954 17.193  4.1556  17.701  4.0366 276.073 36.434 280.980 34.658 -4.907776      50.28491 
1 1 1 13  24 2  o 164.334 31.553 6.1241  2.1161 5.8483  2.9612  6.4119  3.0251 157.713 43.105 164.996 42.895 -7.283295      60.81124 
1 1 1 13  24 3  o 95.785  37.709 1.3254  2.2461 1.3254  2.2461  0.0000  0.0000 95.785  37.709 ?       ?      0.000000       37.70852 
1 1 1 13  24 4  o 217.875 43.136 11.154  3.8392 0.0000  0.0000  11.154  3.8392 ?       ?      217.875 43.136 0.000000       43.13604 
1 1 1 13  24 5  o 360.236 23.701 28.269  3.5956 29.012  4.9171  27.415  5.2711 360.582 32.551 348.338 36.264 12.24493       48.73038 
1 1 1 13  24 6  o 129.566 35.354 3.8849  1.9939 3.2291  2.7143  4.6535  2.9387 122.579 42.658 141.341 44.205 -18.76160      61.43090 
1 1 1 13  24 7  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 13  24 8  o 190.432 25.203 8.0643  1.9826 12.110  3.3093  5.7997  2.4761 229.483 35.174 156.684 37.760 72.79849       51.60450 
1 1 1 13  24 9  o 101.252 31.555 2.2986  1.4989 0.3231  2.7645  3.1211  1.7839 92.448  39.591 116.297 34.045 -23.84888      52.21630 
1 1 1 13  24 10 o 350.346 19.940 26.647  2.9462 27.517  4.9342  26.164  3.6729 348.173 33.894 344.561 25.349 3.612000       42.32442 
1 1 1 13  25 0  f 272.771 24.450 16.248  2.7943 17.777  4.0476  14.855  3.8625 281.287 34.715 255.948 36.684 25.33884       50.50572 
1 1 1 13  25 1  o 366.912 23.209 29.252  3.5877 36.499  4.9937  21.521  5.1577 407.113 29.157 306.286 40.777 100.8273       50.12898 
1 1 1 13  25 2  o 224.486 40.305 11.693  3.6909 11.693  3.6909  0.0000  0.0000 224.486 40.305 ?       ?      0.000000       40.30510 
1 1 1 13  25 3  o 257.287 38.854 15.210  4.1016 0.0000  0.0000  15.210  4.1016 ?       ?      257.287 38.854 0.000000       38.85397 
1 1 1 13  25 4  o 269.201 38.564 16.627  4.2709 0.0000  0.0000  16.627  4.2709 ?       ?      269.201 38.564 0.000000       38.56408 
1 1 1 13  25 5  f 222.095 27.785 10.969  2.5561 11.896  3.3925  9.7511  3.8877 227.774 36.396 201.200 46.551 26.57443       59.09016 
1 1 1 13  25 6  o 118.814 35.398 3.2386  1.9145 4.6843  2.5679  1.4295  2.8726 140.969 40.727 104.095 42.082 36.87389       58.56242 
1 1 1 13  25 7  o 301.323 35.626 20.767  4.4582 0.0000  0.0000  20.767  4.4582 ?       ?      301.323 35.626 0.000000       35.62603 
1 1 1 13  25 8  o 370.099 19.671 29.719  3.0720 33.552  5.0833  27.514  3.8557 386.369 31.337 352.913 25.981 33.45578       40.70652 
1 1 1 13  25 9  o 165.087 26.184 6.1262  1.7695 6.6999  3.1034  5.8499  2.1539 165.989 43.589 158.720 33.115 7.269394       54.74173 
1 1 1 13  26 0  o 180.402 29.330 7.3102  2.1638 8.6547  3.1333  6.0845  2.9918 192.649 39.726 160.298 43.127 32.35126       58.63491 
1 1 1 13  26 1  o 266.602 36.165 16.165  3.9778 16.165  3.9778  0.0000  0.0000 266.602 36.165 ?       ?      0.000000       36.16538 
1 1 1 13  26 2  o 226.802 40.763 11.992  3.7713 11.992  3.7713  0.0000  0.0000 226.802 40.763 ?       ?      0.000000       40.76280 
1 1 1 13  26 3  o 445.451 34.357 44.527  6.4313 0.0000  0.0000  44.527  6.4313 ?       ?      445.451 34.357 0.000000       34.35741 
1 1 1 13  26 4  o 305.740 24.241 20.463  3.1130 15.190  4.3052  26.242  4.5066 255.226 41.237 342.849 31.387 -87.62289      51.82323 
1 1 1 13  26 5  o 178.694 29.603 7.2215  2.1618 1.9727  2.9528  13.285  3.1736 110.195 43.282 242.683 31.631 -132.4880      53.60829 
1 1 1 13  26 6  o 158.713 32.602 5.8203  2.1180 3.4975  2.7927  8.9653  3.2495 125.378 43.290 194.149 40.817 -68.77088      59.49837 
1 1 1 13  26 7  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 13  26 8  o 61.802  28.111 -0.8463 1.6114 -0.9304 2.2544  -0.7583 2.3040 74.196  33.550 76.361  34.277 -2.164597      47.96373 
1 1 1 13  26 9  o 174.197 25.203 6.7851  1.8052 7.9743  3.1633  6.2108  2.1984 181.797 41.941 163.660 32.860 18.13655       53.28080 
1 1 1 13  27 0  o 270.855 24.312 16.081  2.7590 17.296  3.9816  14.959  3.8267 276.267 34.804 255.939 36.325 20.32738       50.30694 
1 1 1 13  27 1  o 446.399 31.090 44.305  5.8408 44.305  5.8408  0.0000  0.0000 446.399 31.090 ?       ?      0.000000       31.09048 
1 1 1 13  27 2  o 277.891 38.680 17.777  4.4286 0.0000  0.0000  17.777  4.4286 ?       ?      277.891 38.680 0.000000       38.68036 
1 1 1 13  27 3  o 370.542 23.943 30.004  3.7371 29.266  5.0739  30.878  5.5248 360.608 33.612 369.035 35.802 -8.426392      49.10750 
1 1 1 13  27 4  o 405.003 23.604 35.838  4.0309 32.813  5.4889  39.380  5.9389 380.957 34.393 417.971 33.842 -37.01318      48.25132 
1 1 1 13  27 5  o 285.509 25.111 17.984  3.0052 19.012  4.1497  16.851  4.3581 288.566 34.650 268.647 39.484 19.91876       52.53196 
1 1 1 13  27 6  o 206.190 27.794 9.5533  2.3651 6.9601  3.2182  12.599  3.4876 168.685 44.433 232.809 36.580 -64.12447      57.55315 
1 1 1 13  27 7  o 207.489 41.633 10.335  3.5310 0.0000  0.0000  10.335  3.5310 ?       ?      207.489 41.633 0.000000       41.63276 
1 1 1 13  27 8  o 123.496 34.626 3.5716  1.8840 3.0902  2.5380  4.1624  2.8117 118.345 41.246 133.032 43.416 -14.68725      59.88485 
1 1 1 13  28 0  o 410.832 31.437 37.664  5.4280 37.664  5.4280  0.0000  0.0000 410.832 31.437 ?       ?      0.000000       31.43681 
1 1 1 13  28 1  o 201.007 39.210 9.4610  3.2179 0.0000  0.0000  9.4610  3.2179 ?       ?      201.007 39.210 0.000000       39.21030 
1 1 1 13  28 2  o 191.219 43.325 8.7592  3.4272 0.0000  0.0000  8.7592  3.4272 ?       ?      191.219 43.325 0.000000       43.32536 
1 1 1 13  28 3  o 99.175  35.084 2.0098  1.8409 2.9222  2.5399  1.0001  2.6718 116.964 41.228 97.308  40.110 19.65516       57.52042 
1 1 1 13  28 4  o 150.554 37.413 5.3668  2.3749 4.0822  3.2472  6.8442  3.4823 134.021 46.657 166.714 47.193 -32.69325      66.36261 
1 1 1 13  28 5  o 232.632 27.578 12.123  2.6640 10.904  3.7230  13.402  3.8136 212.667 42.820 238.614 39.093 -25.94690      57.98125 
1 1 1 13  28 6  o 149.844 36.257 5.3256  2.2758 6.0448  3.3349  4.6987  3.1135 156.412 46.746 140.067 45.687 16.34541       65.36413 
1 1 1 13  28 7  o 292.334 38.452 20.005  4.6449 0.0000  0.0000  20.005  4.6449 ?       ?      292.334 38.452 0.000000       38.45232 
1 1 1 13  28 8  o 210.990 28.242 10.037  2.4602 10.457  3.2733  9.4924  3.7296 210.491 38.124 196.143 45.741 14.34827       59.54557 
1 1 1 13  29 0  o 284.500 23.980 17.765  2.8623 19.860  3.9646  15.486  4.1367 296.967 32.031 258.158 39.058 38.80920       50.51294 
1 1 1 13  29 1  o 174.380 41.678 7.2788  3.0359 0.0000  0.0000  7.2788  3.0359 ?       ?      174.380 41.678 0.000000       41.67768 
1 1 1 13  29 2  o 181.938 31.426 7.5666  2.3338 5.2063  3.1553  10.418  3.4678 147.260 45.764 209.715 40.513 -62.45451      61.11984 
1 1 1 13  29 3  o 108.998 36.853 2.6106  2.0220 6.1779  3.0067  -0.3346 2.7320 159.394 43.382 86.635  38.193 72.75890       57.79874 
1 1 1 13  29 4  f 166.157 32.738 6.4109  2.2217 7.1279  2.9689  5.4984  3.3493 171.587 41.345 149.872 47.243 21.71461       62.77947 
1 1 1 13  29 5  o 271.826 25.901 16.443  2.9455 13.188  4.0515  20.093  4.2900 233.928 42.460 295.130 35.006 -61.20206      55.03009 
1 1 1 13  29 6  o 144.212 34.646 4.9152  2.0895 4.3190  3.0449  5.4459  2.8726 135.005 45.227 149.265 43.062 -14.26024      62.44833 
1 1 1 13  29 7  o 226.505 29.088 11.606  2.7257 10.954  3.8324  12.274  3.8774 211.622 44.190 225.663 42.122 -14.04143      61.04909 
1 1 1 13  30 0  o 227.689 38.860 12.153  3.6126 0.0000  0.0000  12.153  3.6126 ?       ?      227.689 38.860 0.000000       38.86004 
1 1 1 13  30 1  o 137.943 35.047 4.4758  2.0514 6.1645  2.9183  2.8263  2.8843 159.509 42.454 117.709 43.592 41.80007       60.84907 
1 1 1 13  30 2  o 158.915 33.346 5.8911  2.1726 5.2619  3.0561  6.5339  3.0892 147.119 44.926 163.356 43.770 -16.23726      62.72308 
1 1 1 13  30 3  o 105.042 35.844 2.4138  1.9129 3.2244  2.7744  1.6792  2.6411 120.968 43.041 102.710 40.745 18.25790       59.26786 
1 1 1 13  30 4  o 255.203 26.503 14.561  2.8225 11.084  3.8439  18.631  4.1579 212.624 44.134 283.475 35.407 -70.85182      56.58147 
1 1 1 13  30 5  o 151.194 36.589 5.4598  2.3175 7.0662  3.2988  3.8943  3.2565 168.382 45.278 130.560 46.612 37.82135       64.98313 
1 1 1 13  30 6  o 99.889  41.334 1.1562  2.8525 1.1562  2.8525  0.0000  0.0000 99.889  41.334 ?       ?      0.000000       41.33360 
1 1 1 13  31 0  o 127.556 36.180 3.8381  2.0446 2.2475  3.0312  5.1658  2.7695 112.458 43.945 146.013 42.328 -33.55576      61.01499 
1 1 1 13  31 1  o 85.619  33.733 1.1005  1.7989 0.5167  2.6917  1.5717  2.4182 92.384  39.302 99.029  39.082 -6.645248      55.42564 
1 1 1 13  31 2  o 134.999 35.512 4.3331  2.0575 7.6974  2.8472  0.6558  2.9767 179.111 38.669 97.130  41.326 81.98071       56.59600 
1 1 1 13  31 3  o 119.225 36.533 3.3380  2.0188 4.3448  2.8755  2.3593  2.8350 134.493 43.907 111.212 42.764 23.28156       61.29079 
1 1 1 13  31 4  o 109.737 35.336 2.7584  1.8661 1.6627  2.4927  4.1555  2.8148 100.490 39.672 131.931 43.459 -31.44121      58.84381 
1 1 1 13  31 5  o 548.684 22.848 66.044  5.3091 65.980  7.2558  66.117  7.7889 538.812 31.941 536.386 34.471 2.426575       46.99466 
1 1 1 13  32 0  o 320.938 22.908 22.698  3.0931 20.300  4.2057  25.522  4.5649 296.528 34.112 333.876 32.705 -37.34860      47.25759 
1 1 1 13  32 1  o 269.290 25.153 16.159  2.8353 19.720  4.0053  12.581  4.0142 292.820 32.867 226.600 43.411 66.22009       54.44948 
1 1 1 13  32 2  o 137.535 35.933 4.5314  2.1160 0.8010  3.0207  8.1250  2.9649 98.442  41.748 183.198 39.387 -84.75676      57.39505 
1 1 1 13  32 3  o 245.044 26.249 13.473  2.6816 11.507  3.7368  15.559  3.8504 217.039 42.175 257.306 36.347 -40.26740      55.67621 
1 1 1 13  32 4  o 188.862 31.716 8.2660  2.4468 9.8003  3.3926  6.6029  3.5322 200.488 41.331 161.074 48.102 39.41354       63.41996 
1 1 1 13  33 0  o 119.020 34.627 3.3558  1.8504 3.7785  2.3990  2.7351  2.9075 125.710 40.021 115.157 43.537 10.55343       59.13685 
1 1 1 13  33 1  o 153.859 34.714 5.6449  2.2081 4.6677  3.1345  6.6075  3.1111 137.936 45.881 162.198 44.121 -24.26134      63.65367 
1 1 1 13  33 2  o 393.972 22.775 34.245  3.7837 34.595  5.1556  33.836  5.5702 388.914 31.576 381.563 34.857 7.351074       47.03202 
1 1 1 13  33 3  f 117.380 36.241 3.2496  1.9824 5.5121  3.0968  1.6787  2.5803 148.364 45.206 101.187 40.232 47.17711       60.51605 
1 1 1 13  34 0  o 257.504 23.737 14.769  2.5594 9.6402  3.3872  21.594  3.9074 197.492 41.802 307.165 30.439 -109.6737      51.71019 
1 1 1 13  34 1  o 216.715 24.735 10.534  2.2294 5.7299  2.8627  17.938  3.5540 151.327 42.772 279.770 30.491 -128.4422      52.52723 
1 1 1 13  34 2  o 145.879 34.633 5.0944  2.1076 1.0720  2.9246  9.4407  3.0400 99.056  41.491 198.208 37.593 -99.15226      55.98816 
1 1 1 13  35 0  o 125.401 33.950 3.7681  1.8472 2.5607  2.4116  5.4821  2.8733 109.072 39.950 147.569 43.210 -38.49702      58.84803 
1 1 1 13  35 1  o 90.958  34.787 1.5068  1.8698 3.4071  2.8116  -0.0000 2.5036 121.525 43.319 84.395  36.901 37.12957       56.90532 
1 1 1 14  0  0  o 728.771 34.062 114.480 10.460 0.0000  0.0000  114.480 10.460 728.771 34.062 728.771 34.062 0.000000       0.000000 
1 1 1 14  0  1  o 197.952 43.640 9.5345  3.2005 9.5345  3.2005  0.0000  0.0000 197.952 43.640 197.952 43.640 0.000000       0.000000 
1 1 1 14  0  2  o 562.951 23.887 67.871  5.6714 72.231  8.1049  63.687  7.9387 577.840 33.375 541.653 34.942 0.000000       0.000000 
1 1 1 14  0  3  o 267.930 27.238 15.785  3.0174 16.948  4.2363  14.587  4.2988 272.981 38.938 248.921 45.196 0.000000       0.000000 
1 1 1 14  0  4  o 913.887 25.045 178.526 9.6764 185.873 13.742  171.299 13.628 928.408 35.065 890.537 36.272 0.000000       0.000000 
1 1 1 14  0  5  o 115.624 45.452 3.9579  2.1346 2.4059  3.0142  5.5195  3.0235 90.515  51.180 135.488 54.274 0.000000       0.000000 
1 1 1 14  0  6  o 443.662 24.032 42.377  4.4851 46.159  6.2579  38.382  6.4313 460.210 32.481 417.073 37.087 0.000000       0.000000 
1 1 1 14  0  7  o 175.973 54.359 8.4139  3.5454 0.0000  0.0000  8.4139  3.5454 175.973 54.359 175.973 54.359 0.000000       0.000000 
1 1 1 14  0  8  o 76.095  44.967 1.4766  2.4905 1.4766  2.4905  0.0000  0.0000 76.095  44.967 76.095  44.967 0.000000       0.000000 
1 1 1 14  0  9  o 227.614 28.769 11.626  2.6526 11.319  3.6010  11.990  3.9222 216.104 44.559 221.046 47.771 0.000000       0.000000 
1 1 1 14  0  10 o 173.567 34.982 7.2172  2.2786 6.9356  3.0985  7.5490  3.3627 157.371 52.244 163.984 54.418 0.000000       0.000000 
1 1 1 14  0  11 o 89.875  50.892 2.4476  2.9860 0.0000  0.0000  2.4476  2.9860 89.875  50.892 89.875  50.892 0.000000       0.000000 
1 1 1 14  0  12 o 110.434 44.180 3.6765  2.0042 3.6156  2.5885  3.7675  3.1669 105.295 50.435 106.619 54.888 0.000000       0.000000 
1 1 1 14  1  0  o 397.924 24.207 34.041  4.0600 32.495  5.7587  35.569  5.7247 385.357 35.693 403.970 33.773 -18.61325      49.13816 
1 1 1 14  1  1  o 201.996 27.648 8.9303  2.3030 7.3086  3.1393  10.820  3.3889 179.123 42.096 220.014 37.730 -40.89105      56.53019 
1 1 1 14  1  2  o 268.143 18.539 15.407  2.0923 17.008  3.0362  13.960  2.8874 280.279 25.872 253.357 27.345 26.92152       37.64414 
1 1 1 14  1  3  o 337.406 17.771 24.339  2.5304 22.923  3.5821  25.750  3.5749 325.568 26.203 345.591 24.587 -20.02264      35.93180 
1 1 1 14  1  4  o 189.772 22.239 7.8146  1.7534 5.9829  2.5429  9.4746  2.4208 162.339 37.709 207.824 28.237 -45.48483      47.10955 
1 1 1 14  1  5  o 256.040 19.168 14.085  2.0633 12.994  2.9997  15.066  2.8426 243.355 29.724 263.347 25.821 -19.99239      39.37318 
1 1 1 14  1  6  o 503.480 17.225 54.122  3.6728 50.459  5.1771  57.833  5.2113 483.187 25.389 518.544 23.731 -35.35764      34.75322 
1 1 1 14  1  7  o 454.900 24.691 44.764  4.7388 43.785  6.6255  45.789  6.7805 444.946 35.456 455.068 35.464 -10.12195      50.14779 
1 1 1 14  1  8  o 351.115 24.907 26.753  3.6795 22.301  5.0730  31.695  5.3447 314.908 38.864 378.672 33.680 -63.76477      51.42748 
1 1 1 14  1  9  o 220.078 19.685 10.469  1.8153 12.900  2.6437  8.3012  2.4970 242.733 26.130 192.473 31.741 50.26077       41.11286 
1 1 1 14  1  10 o 157.187 23.378 5.4468  1.5088 7.0957  2.1046  3.7030  2.1643 178.252 28.866 127.564 37.545 50.68789       47.35891 
1 1 1 14  1  11 o 308.612 21.006 20.622  2.7290 18.699  3.2846  24.907  4.9037 291.741 26.888 332.970 35.315 -41.22815      44.38555 
1 1 1 14  1  12 o 228.787 19.665 11.345  1.8868 10.156  2.6644  12.541  2.6723 212.957 30.406 238.327 26.950 -25.36989      40.63100 
1 1 1 14  2  0  o 411.900 23.790 36.449  4.1321 34.633  5.7953  38.326  5.8932 398.249 34.709 419.525 33.448 -21.27594      48.20300 
1 1 1 14  2  1  o 540.216 23.340 62.491  5.3396 72.817  7.5746  52.291  7.5281 579.925 30.954 488.945 36.623 90.97943       47.95176 
1 1 1 14  2  2  o 411.576 16.933 36.089  2.9513 34.803  4.1272  37.433  4.2221 402.169 24.347 417.232 23.996 -15.06241      34.18486 
1 1 1 14  2  3  o 410.678 17.121 35.944  2.9777 36.105  4.2460  35.787  4.1770 409.493 24.598 407.758 24.299 1.734680       34.57627 
1 1 1 14  2  4  o 171.918 23.066 6.4445  1.6370 4.7933  2.3988  7.8837  2.2395 145.370 38.394 189.088 28.883 -43.71843      48.04533 
1 1 1 14  2  5  o 334.376 18.112 23.939  2.5552 23.478  3.6594  24.377  3.5694 329.076 26.483 335.695 25.293 -6.619019      36.62098 
1 1 1 14  2  6  o 500.658 17.112 53.513  3.6281 51.226  5.1220  55.817  5.1398 487.011 24.918 509.367 23.827 -22.35638      34.47667 
1 1 1 14  2  7  o 539.721 24.156 62.796  5.5212 63.294  7.7922  62.295  7.8242 535.940 34.515 531.410 34.962 4.529724       49.12926 
1 1 1 14  2  8  o 369.831 24.373 29.640  3.7959 27.903  5.2474  31.546  5.4979 354.313 35.447 377.222 34.808 -22.90921      49.68006 
1 1 1 14  2  9  o 351.105 17.841 26.450  2.6441 24.882  3.7041  28.080  3.7757 337.979 26.081 359.575 24.949 -21.59650      36.09225 
1 1 1 14  2  10 o 209.754 20.168 9.5408  1.7694 9.4212  2.5282  9.6556  2.4772 205.593 29.915 208.544 28.819 -2.951065      41.53822 
1 1 1 14  2  11 o 284.659 25.806 17.760  3.0771 18.243  4.2242  17.215  4.4915 284.189 35.900 274.004 39.877 10.18549       53.65623 
1 1 1 14  2  12 o 139.700 26.694 4.3885  1.5217 3.3322  1.9267  6.1396  2.4807 120.871 35.382 162.681 36.861 -41.81015      51.09421 
1 1 1 14  3  0  o 104.297 35.688 2.1854  1.8963 2.2998  2.6549  2.0663  2.7094 113.611 41.871 111.557 42.063 2.053772       59.35079 
1 1 1 14  3  1  o 544.640 23.450 63.530  5.4087 64.557  7.5961  62.474  7.7032 545.053 33.065 535.711 34.132 9.342224       47.52130 
1 1 1 14  3  2  o 399.695 16.999 34.038  2.8774 38.323  4.0823  29.807  4.0565 422.446 22.904 371.646 25.936 50.79962       34.60192 
1 1 1 14  3  3  o 302.866 18.331 19.638  2.3401 16.697  3.3099  22.578  3.3089 276.896 28.641 323.533 24.328 -46.63760      37.57852 
1 1 1 14  3  4  o 499.082 16.948 53.098  3.5822 50.346  5.0523  55.881  5.0797 483.536 24.755 510.413 23.500 -26.87662      34.13353 
1 1 1 14  3  5  o 273.528 18.882 16.060  2.1738 13.818  3.1116  18.197  3.0381 250.976 29.862 289.831 24.996 -38.85490      38.94313 
1 1 1 14  3  6  o 332.193 17.928 23.647  2.5128 24.840  3.5390  22.434  3.5685 338.683 24.848 321.283 26.463 17.40018       36.29997 
1 1 1 14  3  7  o 424.290 24.731 38.970  4.4245 42.581  6.2305  35.297  6.2841 439.545 33.729 397.988 37.736 41.55649       50.61224 
1 1 1 14  3  8  o 333.064 24.735 24.081  3.4640 20.197  4.7099  28.657  5.1125 299.856 37.938 359.768 33.958 -59.91223      50.91604 
1 1 1 14  3  9  o 193.156 20.388 8.0971  1.6425 6.0229  2.2909  10.291  2.3563 162.596 34.346 216.463 26.241 -53.86722      43.22298 
1 1 1 14  3  10 o 198.700 20.364 8.5750  1.6893 9.8918  2.3909  7.2623  2.3873 211.580 27.322 179.135 32.672 32.44539       42.59087 
1 1 1 14  3  11 o 445.603 24.381 43.200  4.5834 44.941  6.4213  41.392  6.5442 448.929 34.029 429.237 36.342 19.69186       49.78667 
1 1 1 14  3  12 o 193.046 23.879 8.1967  1.9106 6.7975  2.3207  11.140  3.3658 172.662 32.940 220.323 37.411 -47.66136      49.84557 
1 1 1 14  4  0  o 209.188 28.231 9.5776  2.4371 11.138  3.4371  8.0000  3.4560 223.332 37.682 187.095 44.303 36.23694       58.16105 
1 1 1 14  4  1  o 195.563 30.870 8.4486  2.4718 8.8768  3.2566  7.8665  3.7965 198.109 40.191 184.901 48.046 13.20825       62.63961 
1 1 1 14  4  2  o 452.780 16.793 43.676  3.2200 39.058  4.5541  48.291  4.5533 425.797 25.371 474.924 22.639 -49.12628      34.00298 
1 1 1 14  4  3  o 195.620 21.598 8.2842  1.7594 5.9920  2.5508  10.364  2.4299 162.525 37.778 217.905 26.903 -55.37982      46.37859 
1 1 1 14  4  4  o 396.996 17.331 33.611  2.9137 34.520  4.1668  32.741  4.0758 400.137 24.710 389.618 24.831 10.51895       35.03155 
1 1 1 14  4  5  o 481.870 17.047 49.537  3.4787 48.017  4.9416  51.030  4.8981 471.832 24.818 487.376 23.731 -15.54407      34.33793 
1 1 1 14  4  6  o 345.062 17.800 25.509  2.5923 27.220  3.7075  23.872  3.6259 354.568 24.848 331.571 26.031 22.99701       35.98705 
1 1 1 14  4  7  o 131.215 34.961 3.9186  1.9777 1.4374  2.9734  5.8873  2.6485 107.171 42.993 159.843 39.382 -52.67149      58.30401 
1 1 1 14  4  8  o 496.635 23.842 53.200  5.0145 49.028  6.9626  57.696  7.2280 470.568 35.194 511.664 33.543 -41.09628      48.61804 
1 1 1 14  4  9  o 206.072 19.995 9.1975  1.7230 10.852  2.4747  7.6405  2.4004 222.157 26.848 184.382 31.896 37.77419       41.69135 
1 1 1 14  4  10 o 289.062 18.076 17.980  2.2017 17.155  3.1262  18.792  3.1012 279.684 26.719 293.371 25.207 -13.68652      36.73225 
1 1 1 14  4  11 o 267.180 26.467 15.695  2.9552 17.460  4.1877  13.944  4.1710 277.556 36.513 245.184 41.661 32.37206       55.39756 
1 1 1 14  4  12 o 255.027 27.258 14.356  2.8983 15.661  4.3059  13.275  3.9190 260.589 40.320 239.685 40.020 20.90395       56.80947 
1 1 1 14  5  0  o 347.091 19.553 25.791  2.8624 26.823  4.9604  25.276  3.5048 350.268 33.863 342.577 24.316 7.691345       41.68852 
1 1 1 14  5  1  o 590.438 23.665 74.698  5.9173 70.798  8.1412  79.066  8.6156 570.383 33.855 602.858 33.884 -32.47485      47.89864 
1 1 1 14  5  2  o 704.642 16.839 105.790 5.0249 101.482 6.9970  110.378 7.2209 687.949 24.017 717.564 23.762 -29.61462      33.78523 
1 1 1 14  5  3  o 170.977 22.921 6.3714  1.6178 2.0605  2.1800  11.656  2.4137 105.318 38.074 231.693 24.996 -126.3749      45.54548 
1 1 1 14  5  4  o 789.128 17.145 132.796 5.7297 123.293 7.9810  142.904 8.2308 757.415 24.882 815.934 23.820 -58.51862      34.44558 
1 1 1 14  5  5  o 258.497 19.480 14.369  2.1168 16.102  3.0864  12.830  2.9088 271.851 27.173 241.878 28.973 29.97377       39.72165 
1 1 1 14  5  6  o 319.062 17.755 21.821  2.3895 20.814  3.3846  22.822  3.3741 309.412 26.073 324.500 24.739 -15.08829      35.94201 
1 1 1 14  5  7  o 314.938 25.665 21.576  3.3932 22.201  4.9262  21.011  4.6807 314.810 37.700 306.554 36.789 8.256378       52.67607 
1 1 1 14  5  8  o 403.215 24.290 35.218  4.1283 32.184  5.7656  38.409  5.9137 380.184 36.250 416.880 33.788 -36.69681      49.55440 
1 1 1 14  5  9  o 240.878 18.998 12.515  1.9223 12.780  2.7551  12.263  2.6834 241.089 27.475 236.144 27.339 4.945175       38.75909 
1 1 1 14  5  10 o 227.713 19.191 11.212  1.8335 10.694  2.5992  11.724  2.5867 219.605 28.629 230.639 26.994 -11.03397      39.34803 
1 1 1 14  5  11 o 144.331 32.351 4.7723  1.9284 3.1158  2.6723  6.5723  2.7857 121.336 42.321 167.557 39.841 -46.22053      58.12349 
1 1 1 14  5  12 o 273.499 27.580 16.507  3.1509 20.938  4.7034  12.900  4.2439 303.560 37.376 233.986 44.454 69.57401       58.07876 
1 1 1 14  6  0  o 383.590 23.987 31.651  3.8771 0.0000  0.0000  31.651  3.8771 ?       ?      383.590 23.987 0.000000       23.98711 
1 1 1 14  6  1  o 398.796 19.698 33.958  3.3267 30.205  3.9566  43.011  6.1454 374.341 25.103 444.400 32.887 -70.05865      41.37339 
1 1 1 14  6  2  o 582.703 16.757 72.345  4.1350 73.592  5.7734  71.032  5.9252 586.018 23.264 575.419 24.315 10.59882       33.65131 
1 1 1 14  6  3  o 407.261 17.057 35.357  2.9419 36.007  4.0918  34.661  4.2327 409.056 23.722 400.939 25.054 8.117371       34.50277 
1 1 1 14  6  4  o 283.440 19.055 17.239  2.2740 13.972  3.0701  21.210  3.3847 252.647 29.234 312.930 25.769 -60.28329      38.97023 
1 1 1 14  6  5  o 723.567 17.098 111.736 5.2394 118.198 7.3464  105.047 7.4745 741.664 23.390 698.336 25.274 43.32886       34.43607 
1 1 1 14  6  6  o 283.990 18.124 17.314  2.1683 16.766  3.0492  17.874  3.0841 277.365 26.272 286.635 25.680 -9.270508      36.73777 
1 1 1 14  6  7  o 326.707 26.279 23.245  3.6051 23.574  5.0940  22.914  5.1029 324.368 37.792 319.424 38.499 4.943939       53.94774 
1 1 1 14  6  8  o 402.410 24.204 35.079  4.1056 39.979  5.6967  29.783  5.9222 426.312 31.782 364.133 39.011 62.17950       50.31886 
1 1 1 14  6  9  o 197.971 20.230 8.5026  1.6722 8.2477  2.3815  8.7505  2.3486 192.168 30.265 198.526 28.773 -6.357819      41.75944 
1 1 1 14  6  10 o 198.346 21.205 8.5691  1.7536 8.7631  2.5153  8.3856  2.4460 197.582 31.087 193.247 30.931 4.334961       43.85387 
1 1 1 14  6  11 o 138.890 28.371 4.3658  1.6123 4.6964  2.8185  4.2050  1.9657 142.153 43.086 135.031 34.306 7.121979       55.07566 
1 1 1 14  6  12 o 106.194 33.670 2.4895  1.6994 2.4549  2.6713  2.5131  2.2025 113.316 41.954 110.012 38.418 3.304810       56.88724 
1 1 1 14  7  0  o 152.412 30.721 5.1892  1.9144 0.0000  0.0000  5.1892  1.9144 ?       ?      152.412 30.721 0.000000       30.72095 
1 1 1 14  7  1  o 551.440 23.590 65.176  5.5089 66.150  7.5916  64.093  8.0066 551.612 32.643 541.851 35.080 9.760803       47.91859 
1 1 1 14  7  2  o 675.992 19.430 97.586  5.5624 97.362  9.4346  97.706  6.8866 669.765 33.263 674.871 24.096 -5.106323      41.07330 
1 1 1 14  7  3  o 520.788 19.641 57.952  4.3317 59.244  7.2644  57.240  5.3960 521.296 33.077 516.229 24.682 5.067566       41.27140 
1 1 1 14  7  4  o 404.519 19.950 34.997  3.4176 26.982  5.6552  39.608  4.2894 348.429 38.994 428.838 23.711 -80.40854      45.63748 
1 1 1 14  7  5  o 313.406 21.206 21.151  2.7979 19.435  4.6161  22.147  3.5178 295.043 37.815 319.353 26.243 -24.31042      46.02867 
1 1 1 14  7  6  o 288.095 26.731 18.102  3.2242 16.565  4.4910  19.738  4.6317 270.476 40.449 296.863 37.692 -26.38675      55.28836 
1 1 1 14  7  7  f 461.960 19.911 45.776  3.8952 49.010  6.7014  44.126  4.7870 471.268 33.802 451.179 25.153 20.08926       42.13420 
1 1 1 14  7  8  x ?       ?      ?       ?      ?       ?       ?       ?      ?       ?      ?       ?      ?              ?        
1 1 1 14  7  9  o 127.537 28.628 3.6787  1.5083 5.6301  2.7522  2.8410  1.8032 155.565 41.144 112.941 34.514 42.62359       53.70300 
1 1 1 14  7  10 f 297.327 20.792 19.133  2.6016 19.275  4.4468  19.059  3.2079 291.944 36.783 294.997 25.941 -3.052094      45.01088 
1 1 1 14  7  11 o 283.847 26.067 17.694  3.0984 0.0000  0.0000  17.694  3.0984 ?       ?      283.847 26.067 0.000000       26.06685 
1 1 1 14  7  12 o 257.656 21.533 14.435  2.3281 15.916  4.0141  13.685  2.8578 264.347 36.860 248.745 27.594 15.60150       46.04412 
1 1 1 14  8  0  o 210.971 28.507 9.7552  2.4818 0.0000  0.0000  9.7552  2.4818 ?       ?      210.971 28.507 0.000000       28.50747 
1 1 1 14  8  1  o 97.400  35.230 1.7429  1.8669 4.9930  2.5594  -1.9534 2.7294 148.377 39.875 77.871  35.855 70.50583       53.62463 
1 1 1 14  8  2  o 301.073 21.743 19.500  2.7537 22.779  4.6850  17.770  3.4036 321.762 34.944 285.685 28.514 36.07687       45.10095 
1 1 1 14  8  3  o 266.187 21.719 15.272  2.4270 12.293  3.9105  17.138  3.0953 233.189 41.101 280.979 26.320 -47.79054      48.80556 
1 1 1 14  8  4  o 201.032 25.262 8.8282  2.1032 6.8266  3.3100  10.183  2.7236 171.956 44.950 214.643 30.850 -42.68761      54.51808 
1 1 1 14  8  5  o 273.832 21.696 16.188  2.4954 13.399  4.0150  17.943  3.1854 243.143 40.411 287.079 26.500 -43.93568      48.32497 
1 1 1 14  8  6  o 351.423 25.063 26.794  3.7055 27.941  5.0534  25.460  5.4497 355.405 33.989 336.907 38.912 18.49771       51.66641 
1 1 1 14  8  7  o 627.905 24.493 85.151  6.5130 0.0000  0.0000  85.151  6.5130 ?       ?      627.905 24.493 0.000000       24.49307 
1 1 1 14  8  8  o 564.362 34.576 70.442  8.2238 70.442  8.2238  0.0000  0.0000 564.362 34.576 ?       ?      0.000000       34.57578 
1 1 1 14  8  9  o 131.105 30.590 3.9083  1.6674 0.7502  2.8500  5.5519  2.0559 98.775  41.130 156.344 32.126 -57.56837      52.18958 
1 1 1 14  8  10 o 215.589 29.664 10.365  2.6366 11.556  3.7616  9.2146  3.6965 222.994 41.356 197.028 45.255 25.96613       61.30507 
1 1 1 14  8  11 o 320.590 20.843 22.264  2.8144 24.513  4.8614  21.130  3.4517 329.782 35.360 310.126 26.537 19.65576       44.21080 
1 1 1 14  8  12 o 316.525 21.106 21.720  2.8130 22.308  4.9108  21.433  3.4318 313.054 37.807 312.478 26.174 0.5751953      45.98361 
1 1 1 14  9  0  o 586.802 23.952 73.846  5.9521 0.0000  0.0000  73.846  5.9521 ?       ?      586.802 23.952 0.000000       23.95153 
1 1 1 14  9  1  o 164.676 33.237 6.0855  2.2380 7.6234  3.0352  4.2533  3.3130 183.049 40.250 141.148 47.177 41.90077       62.01377 
1 1 1 14  9  2  o 312.382 20.987 20.969  2.7603 19.723  4.5537  21.692  3.4705 298.430 36.812 316.500 26.126 -18.07028      45.14074 
1 1 1 14  9  3  o 480.513 19.646 49.360  3.9979 50.477  6.6346  48.724  5.0094 480.831 32.778 475.391 24.970 5.440582       41.20533 
1 1 1 14  9  4  o 553.171 19.663 65.466  4.6064 51.435  7.6839  73.337  5.7552 482.324 37.924 584.287 23.259 -101.9630      44.48832 
1 1 1 14  9  5  o 391.678 20.061 32.955  3.3163 32.837  5.6300  33.017  4.1038 385.511 34.862 390.539 24.943 -5.027557      42.86623 
1 1 1 14  9  6  o 274.481 26.884 16.469  3.0849 12.073  4.1644  21.816  4.5924 228.202 44.690 313.022 35.258 -84.81964      56.92353 
1 1 1 14  9  7  o 510.592 24.542 56.326  5.3066 0.0000  0.0000  56.326  5.3066 ?       ?      510.592 24.542 0.000000       24.54150 
1 1 1 14  9  8  o 377.504 24.625 30.939  3.9152 24.809  5.3785  37.849  5.7102 331.635 39.044 413.874 32.849 -82.23837      51.02483 
1 1 1 14  9  9  o 91.676  32.622 1.6320  1.5938 4.1235  2.8763  0.5281  1.9146 135.454 43.896 82.009  33.894 53.44483       55.45820 
1 1 1 14  9  10 o 244.767 28.023 13.257  2.8524 11.163  3.7892  15.995  4.3331 218.394 42.499 263.704 40.061 -45.30954      58.40459 
1 1 1 14  9  11 o 259.492 22.089 14.664  2.4044 13.432  4.0872  15.316  2.9732 240.079 41.714 263.470 27.030 -23.39142      49.70600 
1 1 1 14  9  12 o 165.044 27.530 6.1042  1.8564 9.3209  3.4285  4.7699  2.2081 199.017 41.999 143.269 36.339 55.74751       55.53716 
1 1 1 14  10 0  o 722.237 19.368 111.400 5.9239 109.896 9.9323  112.231 7.3803 711.625 32.957 723.241 24.096 -11.61658      40.82662 
1 1 1 14  10 1  o 176.084 31.933 6.9154  2.2936 5.8466  3.1044  8.2001  3.4034 159.988 44.303 189.135 43.410 -29.14650      62.02580 
1 1 1 14  10 2  o 285.047 21.470 17.492  2.5727 19.073  4.1675  16.519  3.2702 294.212 34.079 275.230 28.468 18.98141       44.40519 
1 1 1 14  10 3  o 291.093 21.403 18.248  2.6199 18.157  4.3544  18.300  3.2801 285.775 36.838 290.083 27.011 -4.308502      45.67956 
1 1 1 14  10 4  o 488.879 19.556 51.149  4.0488 53.328  6.7711  49.936  5.0514 493.595 32.576 480.866 24.891 12.72900       40.99655 
1 1 1 14  10 5  o 419.613 20.080 37.747  3.5683 40.657  5.9611  36.122  4.4545 429.892 32.995 408.052 25.912 21.84009       41.95364 
1 1 1 14  10 6  o 416.987 24.650 37.683  4.3337 43.588  6.0223  31.342  6.2409 445.083 32.167 373.082 40.131 72.00098       51.43209 
1 1 1 14  10 7  o 247.289 28.118 13.456  2.8923 0.0000  0.0000  13.456  2.8923 ?       ?      247.289 28.118 0.000000       28.11813 
1 1 1 14  10 8  o 335.252 24.967 24.456  3.5193 20.066  4.9131  29.082  5.0435 297.206 40.055 362.133 33.258 -64.92783      52.06297 
1 1 1 14  10 9  o 191.020 24.874 8.0368  1.9645 7.1210  3.4211  8.4873  2.3995 173.186 45.905 194.741 30.063 -21.55516      54.87287 
1 1 1 14  10 10 o 96.667  40.144 0.7971  2.7045 0.0000  0.0000  0.7971  2.7045 ?       ?      96.667  40.144 0.000000       40.14391 
1 1 1 14  10 11 o 393.824 20.798 33.566  3.4564 45.408  6.1021  27.972  4.1941 451.767 32.104 356.244 28.027 95.52341       42.61625 
1 1 1 14  10 12 o 123.936 31.303 3.5213  1.6434 2.4299  2.7474  4.1294  2.0507 113.625 42.452 133.551 35.608 -19.92613      55.40890 
1 1 1 14  11 0  o 356.986 19.720 27.312  2.9697 32.689  4.9081  24.206  3.7299 387.703 30.130 334.349 26.561 53.35416       40.16599 
1 1 1 14  11 1  o 282.872 25.764 17.349  3.0525 15.440  4.2317  19.420  4.4076 262.647 39.249 296.336 35.851 -33.68909      53.15747 
1 1 1 14  11 2  o 349.278 20.433 26.189  3.0092 26.859  4.9643  25.800  3.7836 349.624 33.957 345.194 26.074 4.429504       42.81296 
1 1 1 14  11 3  o 346.306 20.459 25.765  2.9871 23.727  4.9578  26.926  3.7427 327.203 36.396 352.756 25.220 -25.55344      44.27951 
1 1 1 14  11 4  o 359.460 20.544 27.784  3.1144 34.511  5.2838  24.203  3.8553 396.765 31.711 333.344 27.557 63.42169       42.01210 
1 1 1 14  11 5  f 339.405 20.583 24.809  2.9445 25.622  4.9550  24.365  3.6610 339.714 34.940 334.667 26.036 5.046478       43.57361 
1 1 1 14  11 6  o 248.551 27.592 13.571  2.8553 13.029  3.8841  14.208  4.2118 239.009 39.772 249.124 41.373 -10.11478      57.38898 
1 1 1 14  11 7  o 131.880 38.378 3.9637  2.2729 0.0000  0.0000  3.9637  2.2729 ?       ?      131.880 38.378 0.000000       38.37844 
1 1 1 14  11 8  o 285.240 21.909 17.630  2.6263 19.597  4.4512  16.580  3.2528 295.209 36.373 274.435 28.399 20.77484       46.14668 
1 1 1 14  11 9  o 136.810 29.429 4.2485  1.6545 4.1239  2.8823  4.3098  2.0205 135.161 43.951 136.758 34.800 -1.597961      56.06023 
1 1 1 14  11 10 o 181.956 46.191 7.9463  3.5656 0.0000  0.0000  7.9463  3.5656 ?       ?      181.956 46.191 0.000000       46.19094 
1 1 1 14  11 11 o 256.485 22.209 14.340  2.3885 13.028  3.9975  15.069  2.9787 236.281 41.463 261.093 27.345 -24.81274      49.66811 
1 1 1 14  12 0  o 608.471 18.953 79.077  4.8837 69.629  7.9972  84.696  6.1673 564.871 33.582 628.379 23.176 -63.50775      40.80249 
1 1 1 14  12 1  o 210.154 24.272 9.6089  2.1204 6.8612  3.4942  11.211  2.6678 172.422 46.700 226.148 28.488 -53.72635      54.70288 
1 1 1 14  12 2  o 178.217 25.949 6.9786  1.9010 5.9445  3.2715  7.5058  2.3358 160.908 45.809 183.604 31.154 -22.69519      55.39923 
1 1 1 14  12 3  o 154.965 27.236 5.3335  1.7222 3.1116  2.9823  6.4452  2.1095 125.154 44.614 169.891 30.438 -44.73728      54.00793 
1 1 1 14  12 4  o 536.829 19.404 61.726  4.4113 51.448  7.3512  67.509  5.5146 482.105 36.272 560.027 23.252 -77.92191      43.08458 
1 1 1 14  12 5  o 245.178 26.683 13.171  2.7258 12.611  3.7791  13.778  3.9354 235.397 39.294 246.378 39.017 -10.98140      55.37453 
1 1 1 14  12 6  f 349.117 20.691 26.280  3.0454 29.767  5.0801  24.325  3.8049 366.699 33.069 333.654 27.164 33.04547       42.79501 
1 1 1 14  12 7  o 307.226 38.653 21.326  4.9177 0.0000  0.0000  21.326  4.9177 ?       ?      307.226 38.653 0.000000       38.65300 
1 1 1 14  12 8  o 276.126 21.350 16.519  2.4772 15.586  4.2163  17.010  3.0612 261.311 39.318 278.648 26.251 -17.33691      47.27630 
1 1 1 14  12 9  o 164.828 34.371 6.2386  2.3215 5.9605  3.1860  6.5533  3.3897 158.612 45.225 165.779 46.433 -7.166092      64.81732 
1 1 1 14  12 10 f 232.557 42.379 12.676  4.0200 0.0000  0.0000  12.676  4.0200 ?       ?      232.557 42.379 0.000000       42.37933 
1 1 1 14  12 11 o 117.305 31.502 3.1513  1.5980 1.5705  2.6697  4.0341  1.9949 103.460 40.989 131.983 35.087 -28.52280      53.95597 
1 1 1 14  13 0  o 91.712  34.612 1.3726  1.8356 2.9789  2.3842  -0.9650 2.8762 119.246 40.020 86.676  38.645 32.56999       55.63287 
1 1 1 14  13 1  o 161.242 27.935 5.7676  1.8384 3.3934  3.0288  7.1527  2.3134 128.999 45.052 179.018 31.673 -50.01952      55.07125 
1 1 1 14  13 2  o 290.341 21.054 18.157  2.5712 12.958  4.2729  21.108  3.2193 237.894 44.034 312.254 24.542 -74.35970      50.41198 
1 1 1 14  13 3  o 278.050 21.471 16.688  2.5086 15.602  4.2655  17.263  3.1018 262.931 39.531 281.503 26.324 -18.57193      47.49368 
1 1 1 14  13 4  o 362.201 20.110 28.224  3.0725 28.846  5.1570  27.881  3.8256 360.950 34.143 358.328 25.374 2.621704       42.53884 
1 1 1 14  13 5  o 480.372 23.637 49.803  4.8086 49.948  6.7151  49.651  6.8890 475.488 33.563 473.451 34.599 2.037048       48.20335 
1 1 1 14  13 6  o 673.054 24.448 97.962  6.9684 0.0000  0.0000  97.962  6.9684 ?       ?      673.054 24.448 0.000000       24.44782 
1 1 1 14  13 7  f 127.449 43.122 3.5138  2.7684 3.5138  2.7684  0.0000  0.0000 127.449 43.122 ?       ?      0.000000       43.12241 
1 1 1 14  13 8  o 313.984 21.109 21.337  2.7906 16.635  4.6460  23.991  3.4903 268.305 42.290 331.601 25.039 -63.29602      49.14652 
1 1 1 14  13 9  o 149.895 29.404 5.0917  1.7999 6.3210  2.8683  4.2933  2.3117 163.691 41.360 135.998 38.434 27.69333       56.46111 
1 1 1 14  13 10 o 204.079 43.603 9.8866  3.6540 0.0000  0.0000  9.8866  3.6540 ?       ?      204.079 43.603 0.000000       43.60252 
1 1 1 14  13 11 o 136.732 31.126 4.2882  1.7619 5.8813  3.1136  3.5378  2.1369 157.060 44.682 124.235 37.486 32.82468       58.32367 
1 1 1 14  14 0  o 129.464 37.363 3.7657  2.1623 4.2816  3.0220  3.2246  3.0951 139.593 44.968 127.566 45.453 12.02735       63.93827 
1 1 1 14  14 1  o 167.406 27.759 6.2087  1.8990 8.1023  3.1109  5.0840  2.3975 188.238 40.243 149.248 37.871 38.98985       55.26060 
1 1 1 14  14 2  o 535.100 19.043 61.262  4.3152 52.998  7.1676  65.961  5.4044 490.750 34.712 553.915 23.039 -63.16476      41.66196 
1 1 1 14  14 3  o 192.852 25.449 8.1638  2.0277 7.8758  3.5402  8.3044  2.4736 183.528 45.719 192.851 31.365 -9.322891      55.44364 
1 1 1 14  14 4  o 454.098 19.460 44.221  3.7422 41.183  6.2301  45.936  4.6807 431.278 34.397 460.690 24.075 -29.41205      41.98526 
1 1 1 14  14 5  o 428.062 24.052 39.716  4.3425 35.155  5.9340  44.975  6.3717 397.179 35.659 450.779 33.619 -53.60028      49.00814 
1 1 1 14  14 6  o 572.532 24.131 70.885  5.8509 0.0000  0.0000  70.885  5.8509 ?       ?      572.532 24.131 0.000000       24.13131 
1 1 1 14  14 7  o 272.074 26.158 16.219  2.9768 12.958  4.1037  19.841  4.3248 236.413 42.553 297.476 34.999 -61.06366      55.09723 
1 1 1 14  14 8  o 241.133 22.195 12.664  2.2410 6.4891  3.6541  16.387  2.8373 164.891 48.853 273.681 24.748 -108.7899      54.76365 
1 1 1 14  14 9  o 270.308 22.039 15.910  2.5009 15.201  4.2220  16.294  3.1040 256.273 40.227 271.584 27.361 -15.31134      48.65014 
1 1 1 14  14 10 o 180.245 35.330 7.4959  2.6004 0.0000  0.0000  7.4959  2.6004 ?       ?      180.245 35.330 0.000000       35.33032 
1 1 1 14  14 11 o 162.395 27.452 5.9227  1.8207 5.0855  2.9176  6.4566  2.3300 146.802 43.690 167.475 34.013 -20.67311      55.36833 
1 1 1 14  15 0  o 330.872 24.329 23.676  3.3852 25.760  4.6437  21.313  4.9451 342.522 32.399 308.926 38.644 33.59512       50.42874 
1 1 1 14  15 1  o 687.280 18.983 101.051 5.5251 99.081  9.1973  102.163 6.9111 674.108 32.217 689.097 23.682 -14.98944      39.98487 
1 1 1 14  15 2  o 371.778 19.812 29.701  3.1080 23.889  5.0678  33.205  3.9350 327.156 37.241 391.913 23.822 -64.75595      44.20847 
1 1 1 14  15 3  o 241.355 22.211 12.636  2.2447 10.182  3.8928  13.859  2.7475 208.772 45.329 251.736 26.154 -42.96446      52.33311 
1 1 1 14  15 4  o 743.226 23.691 119.284 7.4569 125.694 10.396  112.493 10.701 756.516 32.450 713.235 35.430 43.28064       48.04454 
1 1 1 14  15 5  o 405.936 19.696 35.388  3.3859 39.029  5.7160  33.419  4.2025 420.241 32.367 391.886 25.461 28.35483       41.18114 
1 1 1 14  15 6  f 372.796 25.308 30.264  3.9718 0.0000  0.0000  30.264  3.9718 ?       ?      372.796 25.308 0.000000       25.30754 
1 1 1 14  15 7  o 225.807 29.605 11.342  2.7628 11.721  3.8115  10.921  4.0104 224.732 41.580 215.028 45.462 9.703247       61.60941 
1 1 1 14  15 8  f 430.452 20.047 39.926  3.6543 36.288  6.1437  41.919  4.5459 400.992 36.581 438.522 24.578 -37.52979      44.07076 
1 1 1 14  15 9  o 112.682 33.414 2.8839  1.7089 1.1085  2.8051  3.9317  2.1549 100.557 41.232 130.230 37.214 -29.67245      55.54285 
1 1 1 14  15 10 o 240.124 29.483 12.881  2.9352 0.0000  0.0000  12.881  2.9352 ?       ?      240.124 29.483 0.000000       29.48310 
1 1 1 14  16 0  o 403.901 23.652 35.215  4.0280 39.208  5.5924  30.911  5.8064 423.251 31.425 373.043 37.252 50.20822       48.73623 
1 1 1 14  16 1  o 316.763 20.405 21.601  2.7227 20.915  4.3885  22.031  3.4717 307.117 34.329 318.307 25.981 -11.19083      43.05235 
1 1 1 14  16 2  o 433.393 19.805 40.282  3.6350 44.601  5.9836  37.755  4.5762 450.687 31.550 416.906 26.050 33.78052       40.91415 
1 1 1 14  16 3  o 223.655 23.510 10.908  2.1935 12.732  3.6410  9.8685  2.7481 236.975 37.531 210.060 31.895 26.91467       49.25314 
1 1 1 14  16 4  o 443.363 23.739 42.600  4.4410 38.448  6.0648  47.400  6.5211 415.706 34.769 462.597 33.514 -46.89124      48.29161 
1 1 1 14  16 5  o 176.529 32.939 7.0633  2.3719 0.0000  0.0000  7.0633  2.3719 ?       ?      176.529 32.939 0.000000       32.93927 
1 1 1 14  16 6  o 289.506 21.010 18.142  2.5584 11.899  4.2932  21.580  3.1858 224.274 46.719 314.847 24.076 -90.57297      52.55750 
1 1 1 14  16 7  o 168.984 34.134 6.5420  2.3587 7.5185  3.2670  5.4789  3.4088 178.139 43.648 152.832 47.579 25.30754       64.56702 
1 1 1 14  16 8  o 676.829 19.706 98.728  5.6482 95.964  9.4290  100.275 7.0539 655.209 34.099 678.850 24.537 -23.64099      42.00941 
1 1 1 14  16 9  o 264.945 22.382 15.323  2.4878 11.637  4.1412  17.404  3.1119 220.267 45.885 280.865 26.475 -60.59747      52.97459 
1 1 1 14  16 10 o 281.196 22.343 17.249  2.6387 15.722  4.4445  18.080  3.2792 259.165 41.926 285.857 27.425 -26.69156      50.09949 
1 1 1 14  17 0  o 259.134 20.926 14.500  2.2768 15.131  3.7483  14.130  2.8662 260.464 34.855 254.152 27.046 6.311157       44.11757 
1 1 1 14  17 1  o 374.044 19.714 30.082  3.1118 29.460  5.0512  30.462  3.9505 365.217 33.016 374.680 25.041 -9.463470      41.43809 
1 1 1 14  17 2  o 221.212 24.371 10.696  2.2452 8.6888  3.8010  11.771  2.7825 191.710 47.146 230.726 29.126 -39.01672      55.41735 
1 1 1 14  17 3  o 443.197 19.416 42.170  3.6442 41.861  6.0056  42.350  4.5848 434.975 32.845 441.674 24.610 -6.698395      41.04141 
1 1 1 14  17 4  o 115.991 37.687 2.9458  2.1194 2.1297  2.6604  4.3633  3.5064 110.050 41.636 141.053 48.518 -31.00349      63.93440 
1 1 1 14  17 5  o 654.410 24.370 92.772  6.7537 0.0000  0.0000  92.772  6.7537 ?       ?      654.410 24.370 0.000000       24.36951 
1 1 1 14  17 6  o 301.114 26.237 19.873  3.3122 23.862  4.6210  15.658  4.7501 326.629 33.901 258.595 45.010 68.03473       56.34869 
1 1 1 14  17 7  o 96.261  33.414 1.8958  1.6649 2.7055  2.7769  1.4414  2.0802 117.016 42.868 94.798  36.582 22.21750       56.35514 
1 1 1 14  17 8  o 258.317 22.227 14.562  2.4079 8.0374  4.1187  17.950  2.9679 180.661 51.388 286.014 24.747 -105.3530      57.03627 
1 1 1 14  17 9  o 421.976 24.517 38.944  4.3624 41.101  6.1012  36.688  6.2398 427.401 33.989 401.421 37.126 25.98007       50.33442 
1 1 1 14  17 10 o 78.785  31.500 0.7717  1.5904 0.0001  2.6784  1.1919  1.9765 89.017  38.552 90.071  35.401 -1.053925      52.33964 
1 1 1 14  18 0  o 222.701 21.898 10.766  2.0386 8.8863  3.3777  11.843  2.5567 195.905 41.976 232.423 26.446 -36.51793      49.61207 
1 1 1 14  18 1  o 257.622 21.765 14.383  2.3524 13.765  3.8511  14.751  2.9711 246.306 38.154 259.191 27.487 -12.88524      47.02398 
1 1 1 14  18 2  o 257.556 22.351 14.407  2.4137 14.233  4.1013  14.499  2.9854 249.325 40.211 256.617 27.922 -7.291748      48.95469 
1 1 1 14  18 3  o 546.548 23.248 64.568  5.3808 58.059  7.3035  72.296  7.9579 511.453 33.912 571.609 33.015 -60.15598      47.32840 
1 1 1 14  18 4  o 119.191 32.493 3.2359  1.6851 2.9904  2.7098  3.3906  2.1518 120.381 42.568 122.650 37.739 -2.269279      56.88852 
1 1 1 14  18 5  o 590.112 24.537 75.530  6.1320 0.0000  0.0000  75.530  6.1320 ?       ?      590.112 24.537 0.000000       24.53723 
1 1 1 14  18 6  f 400.891 24.618 35.040  4.1593 36.216  5.6836  33.684  6.1031 402.655 33.639 385.594 37.863 17.06143       50.64761 
1 1 1 14  18 7  o 349.404 20.912 26.469  3.0801 23.417  4.9788  28.361  3.9202 320.474 37.388 359.509 25.923 -39.03537      45.49562 
1 1 1 14  18 8  o 393.324 20.411 33.521  3.3881 30.077  5.5107  35.613  4.2960 363.728 36.259 403.023 25.299 -39.29526      44.21229 
1 1 1 14  18 9  o 191.493 32.951 8.3821  2.5758 9.2777  3.5075  7.3336  3.7950 197.028 43.224 172.863 49.382 24.16539       65.62734 
1 1 1 14  19 0  o 311.811 19.933 20.961  2.6183 23.223  4.2602  19.587  3.3192 324.142 31.430 299.342 26.456 24.79993       41.08200 
1 1 1 14  19 1  o 99.261  32.694 2.0977  1.5930 3.2459  2.6979  1.4832  1.9738 123.610 42.556 94.356  35.824 29.25414       55.62708 
1 1 1 14  19 2  o 234.478 22.602 11.977  2.2165 11.155  3.7389  12.422  2.7523 219.137 41.814 237.133 27.944 -17.99651      50.29210 
1 1 1 14  19 3  o 229.157 29.117 11.657  2.7619 10.362  3.7141  13.259  4.1308 210.337 43.144 238.990 42.365 -28.65277      60.46650 
1 1 1 14  19 4  o 231.935 28.853 11.936  2.7727 0.0000  0.0000  11.936  2.7727 ?       ?      231.935 28.853 0.000000       28.85283 
1 1 1 14  19 5  o 441.208 19.506 41.885  3.6445 37.492  5.9460  44.529  4.6126 409.256 34.632 452.406 24.163 -43.15002      42.22847 
1 1 1 14  19 6  o 242.685 27.187 13.036  2.7461 12.702  3.7665  13.416  4.0123 234.199 39.373 240.027 40.941 -5.827469      56.80130 
1 1 1 14  19 7  o 183.629 27.191 7.5407  2.0506 12.912  3.3390  4.2884  2.5983 238.223 34.067 135.584 41.429 102.6388       53.63720 
1 1 1 14  19 8  o 251.889 23.765 13.935  2.5052 14.365  4.2817  13.711  3.0891 246.694 42.519 247.209 30.130 -0.5148773     52.11249 
1 1 1 14  19 9  o 196.844 42.472 9.2403  3.4366 0.0000  0.0000  9.2403  3.4366 ?       ?      196.844 42.472 0.000000       42.47178 
1 1 1 14  20 0  o 164.114 25.579 5.9735  1.7198 2.8348  2.6851  8.1568  2.2395 118.408 42.320 191.422 28.495 -73.01389      51.01897 
1 1 1 14  20 1  o 247.558 21.027 13.295  2.1835 14.680  3.4966  12.410  2.7956 255.969 33.027 236.770 28.451 19.19930       43.59140 
1 1 1 14  20 2  o 207.417 41.651 10.037  3.5315 0.0000  0.0000  10.037  3.5315 ?       ?      207.417 41.651 0.000000       41.65054 
1 1 1 14  20 3  o 234.085 27.943 12.128  2.7153 10.936  3.6726  13.565  4.0328 216.690 41.532 242.289 40.749 -25.59882      58.18458 
1 1 1 14  20 4  o 280.961 27.816 17.415  3.2661 0.0000  0.0000  17.415  3.2661 ?       ?      280.961 27.816 0.000000       27.81557 
1 1 1 14  20 5  o 100.895 33.769 2.1729  1.6975 -1.8348 2.7426  4.6613  2.1611 77.603  35.807 141.623 35.966 -64.01989      50.75080 
1 1 1 14  20 6  o 153.991 29.823 5.3965  1.8746 3.4704  3.0403  6.5779  2.3811 127.094 45.073 168.738 34.486 -41.64343      56.75280 
1 1 1 14  20 7  o 334.863 20.577 24.348  2.9040 21.484  4.7931  26.010  3.6502 305.624 37.841 344.031 25.230 -38.40720      45.48113 
1 1 1 14  20 8  o 375.500 20.523 30.603  3.2511 26.189  5.2965  33.272  4.1183 337.666 37.681 389.251 25.117 -51.58481      45.28520 
1 1 1 14  20 9  o 88.513  37.556 0.3834  2.4466 0.0000  0.0000  0.3834  2.4466 ?       ?      88.513  37.556 0.000000       37.55605 
1 1 1 14  21 0  o 250.297 20.661 13.584  2.1705 8.7293  3.5196  16.563  2.7571 192.117 44.182 275.527 23.865 -83.40964      50.21526 
1 1 1 14  21 1  o 101.262 30.457 2.2850  1.4123 0.2665  2.2940  3.5171  1.7923 85.643  36.354 123.888 33.401 -38.24528      49.36794 
1 1 1 14  21 2  o 197.411 27.888 8.6721  2.2665 8.2703  3.1031  9.1316  3.3185 188.225 40.153 197.668 40.988 -9.442139      57.37844 
1 1 1 14  21 3  o 234.432 27.138 12.149  2.6445 0.0000  0.0000  12.149  2.6445 ?       ?      234.432 27.138 0.000000       27.13838 
1 1 1 14  21 4  o 233.991 22.394 11.956  2.1920 11.570  3.7561  12.155  2.6993 222.466 41.392 234.090 27.770 -11.62474      49.84452 
1 1 1 14  21 5  o 259.183 26.320 14.836  2.8488 13.124  3.9212  16.749  4.1458 237.147 40.499 270.322 37.201 -33.17537      54.99097 
1 1 1 14  21 6  o 214.276 23.597 10.111  2.1058 11.941  3.4334  9.0078  2.6661 227.280 36.940 198.591 32.850 28.68915       49.43374 
1 1 1 14  21 7  o 117.100 32.795 3.1639  1.6910 1.2946  2.6692  4.4172  2.1856 100.054 40.524 137.106 36.850 -37.05196      54.77339 
1 1 1 14  21 8  o 186.162 27.002 7.7629  2.0666 5.6682  3.3045  9.1084  2.6485 153.172 46.704 199.710 32.428 -46.53757      56.85793 
1 1 1 14  22 0  o 94.449  30.683 1.9201  1.4048 2.8100  2.2410  1.3441  1.8031 114.398 38.798 89.936  34.217 24.46222       51.73068 
1 1 1 14  22 1  o 260.051 25.213 14.839  2.7418 9.5568  3.6212  21.936  4.1973 200.950 43.789 313.542 32.061 -112.5926      54.27161 
1 1 1 14  22 2  o 279.178 24.422 17.055  2.8584 15.960  3.8521  18.397  4.2639 265.505 35.121 284.798 36.168 -19.29327      50.41480 
1 1 1 14  22 3  o 73.783  31.423 0.1211  1.7241 0.0000  0.0000  0.1211  1.7241 ?       ?      73.783  31.423 0.000000       31.42320 
1 1 1 14  22 4  o 222.988 22.194 10.878  2.0680 10.547  3.4632  11.062  2.5782 212.309 39.985 222.850 27.932 -10.54102      48.77523 
1 1 1 14  22 5  o 103.854 35.095 2.3204  1.8336 4.2775  2.5960  0.3723  2.5901 135.171 41.429 90.607  38.550 44.56377       56.59023 
1 1 1 14  22 6  o 161.712 27.786 5.9107  1.8343 12.869  3.3085  2.8225  2.2041 237.313 33.882 113.427 38.477 123.8856       51.26856 
1 1 1 14  22 7  o 129.322 31.600 3.8752  1.7159 6.7756  2.8544  2.2339  2.1472 168.368 40.522 104.915 37.808 63.45270       55.42071 
1 1 1 14  22 8  o 304.625 20.882 20.204  2.6777 17.586  4.4702  21.670  3.3440 274.596 39.584 313.504 25.405 -38.90808      47.03497 
1 1 1 14  23 0  o 405.199 18.438 35.295  3.1639 33.944  5.2001  36.090  3.9867 390.564 31.713 407.342 23.207 -16.77805      39.29720 
1 1 1 14  23 1  o 76.510  30.877 0.6483  1.5436 -1.3207 2.3309  2.1863  2.0601 73.461  33.567 104.196 37.087 -30.73466      50.02158 
1 1 1 14  23 2  o 174.574 31.772 6.9368  2.2624 0.0000  0.0000  6.9368  2.2624 ?       ?      174.574 31.772 0.000000       31.77225 
1 1 1 14  23 3  o 100.476 30.240 2.2646  1.3920 0.8512  2.3148  3.0652  1.7422 91.204  37.433 115.715 33.580 -24.51080      50.28796 
1 1 1 14  23 4  o 509.304 22.760 56.415  4.9090 50.379  6.6114  63.831  7.3287 473.347 33.192 533.579 32.589 -60.23199      46.51582 
1 1 1 14  23 5  o 169.863 25.343 6.4474  1.7673 2.4126  2.9810  8.6339  2.1945 114.455 43.889 196.380 27.110 -81.92443      51.58664 
1 1 1 14  23 6  o 83.884  31.559 1.2334  1.5235 1.8864  2.5099  0.8525  1.9170 104.149 40.185 84.810  34.345 19.33894       52.86190 
1 1 1 14  23 7  o 269.465 21.478 15.866  2.4306 19.030  4.1406  14.203  3.0023 288.591 34.567 251.832 28.662 36.75949       44.90466 
1 1 1 14  24 0  o 181.219 43.993 7.8527  3.3423 7.8527  3.3423  0.0000  0.0000 181.219 43.993 ?       ?      0.000000       43.99297 
1 1 1 14  24 1  o 149.341 27.652 5.0350  1.6844 6.2863  3.0193  4.4696  2.0297 162.255 43.180 138.731 34.649 23.52322       55.36353 
1 1 1 14  24 2  o 174.021 32.477 6.9354  2.3054 0.0000  0.0000  6.9354  2.3054 ?       ?      174.021 32.477 0.000000       32.47652 
1 1 1 14  24 3  o 103.579 31.029 2.4263  1.4681 -0.5651 2.4005  4.2137  1.8555 79.818  35.463 134.729 32.823 -54.91071      48.32145 
1 1 1 14  24 4  o 214.561 29.351 10.375  2.5970 10.517  3.4002  10.175  4.0233 211.222 39.463 203.320 47.571 7.902740       61.80900 
1 1 1 14  24 5  o 277.953 20.085 16.820  2.3483 18.984  3.7834  15.463  2.9949 289.953 31.308 263.444 27.238 26.50937       41.49848 
1 1 1 14  24 6  o 163.581 27.077 6.0420  1.8101 7.1319  2.9548  5.3872  2.2902 172.207 41.090 151.069 36.258 21.13789       54.80016 
1 1 1 14  24 7  o 169.639 26.483 6.4692  1.8404 9.2341  3.1456  5.0301  2.2694 197.663 38.963 145.864 36.753 51.79919       53.56258 
1 1 1 14  25 0  o 248.845 37.059 14.245  3.7862 14.245  3.7862  0.0000  0.0000 248.845 37.059 ?       ?      0.000000       37.05862 
1 1 1 14  25 1  o 96.197  38.121 1.3468  2.3097 0.0000  0.0000  1.3468  2.3097 ?       ?      96.197  38.121 0.000000       38.12137 
1 1 1 14  25 2  f 139.638 35.369 4.5708  2.0939 3.2452  2.8148  6.2131  3.1330 122.493 43.378 160.100 44.569 -37.60715      62.19303 
1 1 1 14  25 3  o 95.562  29.583 2.0397  1.3199 0.5622  2.1932  2.8787  1.6527 85.984  35.966 111.896 32.774 -25.91254      48.65842 
1 1 1 14  25 4  o 150.087 31.724 5.2178  1.9533 2.9087  2.6465  7.9807  2.8949 116.925 41.991 183.456 38.490 -66.53052      56.96210 
1 1 1 14  25 5  o 243.022 21.857 12.957  2.2255 9.9148  3.5731  14.885  2.8446 202.481 42.997 258.654 26.336 -56.17264      50.42202 
1 1 1 14  25 6  o 86.655  31.087 1.4799  1.4502 2.1675  2.4212  1.0952  1.8110 106.249 39.822 85.988  33.857 20.26145       52.26966 
1 1 1 14  26 0  o 111.695 39.546 2.6259  2.3394 0.0000  0.0000  2.6259  2.3394 ?       ?      111.695 39.546 0.000000       39.54604 
1 1 1 14  26 1  o 224.359 39.418 11.841  3.6086 0.0000  0.0000  11.841  3.6086 ?       ?      224.359 39.418 0.000000       39.41790 
1 1 1 14  26 2  o 249.238 27.298 13.869  2.8342 23.794  4.1079  4.8532  3.9152 325.469 30.146 144.297 51.152 181.1714       59.37471 
1 1 1 14  26 3  o 129.232 35.580 3.9335  2.0089 1.3943  2.8635  6.3941  2.8189 102.704 41.834 162.697 40.945 -59.99265      58.53666 
1 1 1 14  26 4  o 66.174  28.972 -0.2118 1.5477 1.4471  2.1000  -2.1841 2.2899 94.057  36.626 66.663  31.397 27.39304       48.24185 
1 1 1 14  26 5  o 123.836 30.814 3.5634  1.6095 4.1869  2.6574  3.2022  2.0227 132.984 42.098 117.682 36.652 15.30198       55.81797 
1 1 1 14  27 0  o 89.308  36.171 0.9888  2.1265 0.0000  0.0000  0.9888  2.1265 ?       ?      89.308  36.171 0.000000       36.17078 
1 1 1 14  27 1  o 148.173 33.284 5.1341  2.0376 6.3581  2.9785  4.0574  2.7935 161.500 42.845 131.610 43.292 29.89015       60.90825 
1 1 1 14  27 2  o 277.207 25.401 17.053  2.9487 18.452  4.1846  15.672  4.1558 282.373 35.797 257.763 39.316 24.61002       53.17103 
1 1 1 14  27 3  o 274.031 25.507 16.680  2.9261 17.566  4.0319  15.695  4.2533 275.591 35.362 257.122 40.393 18.46939       53.68486 
1 1 1 14  27 4  o 59.263  27.427 -1.1958 1.6270 -0.8615 2.4448  -1.4615 2.1798 77.861  35.097 68.926  31.845 8.935120       47.39103 
1 1 1 14  27 5  o 215.309 27.135 10.404  2.4192 11.606  3.2862  8.9823  3.5746 223.102 36.007 191.014 44.940 32.08803       57.58599 
1 1 1 14  28 0  o 143.857 33.149 4.8543  1.9780 5.9730  2.9773  3.9704  2.6465 156.048 43.449 129.803 42.110 26.24464       60.50736 
1 1 1 14  28 1  o 62.970  28.466 -0.7164 1.6215 2.4111  2.7536  -2.3767 2.0063 111.430 42.311 59.844  28.534 51.58586       51.03302 
1 1 1 14  28 2  o 338.230 23.828 25.237  3.3913 26.789  4.7844  23.670  4.8078 342.050 33.457 319.370 36.186 22.67999       49.28292 
1 1 1 14  28 3  o 133.786 37.041 4.2673  2.1702 5.5958  3.0293  2.8666  3.1106 150.785 44.429 118.969 45.019 31.81562       63.25084 
1 1 1 14  28 4  o 170.500 31.899 6.7336  2.2186 7.4669  3.0165  5.8696  3.2744 175.295 41.311 153.929 46.392 21.36644       62.11934 
1 1 1 14  29 0  o 357.037 23.084 28.076  3.4716 28.868  4.8247  27.225  4.9990 355.571 32.396 343.298 34.869 12.27310       47.59591 
1 1 1 14  29 1  o 217.309 27.811 10.668  2.5007 13.400  3.6225  8.1807  3.4564 238.597 37.053 181.068 45.213 57.52904       58.45597 
1 1 1 14  29 2  o 105.676 35.836 2.4742  1.9119 5.2497  3.0612  0.6991  2.4481 146.009 45.028 90.392  37.916 55.61711       58.86543 
1 1 1 14  29 3  o 187.895 33.294 8.2170  2.5523 6.1994  3.5241  10.443  3.7013 157.093 48.290 206.283 43.727 -49.18913      65.14542 
1 1 1 14  30 0  o 172.700 30.508 6.8930  2.1496 7.9421  3.1676  5.9972  2.9268 179.482 42.356 155.545 42.996 23.93668       60.35463 
1 1 1 14  30 1  o 270.751 25.123 16.333  2.8478 16.250  3.9767  16.420  4.0800 262.993 36.706 263.770 37.588 -0.7774658     52.53731 
1 1 1 14  30 2  o 81.199  32.798 0.8295  1.7433 2.7633  2.8316  -0.3509 2.2123 115.439 43.104 77.432  34.241 38.00761       55.04915 
1 1 1 14  31 0  o 285.453 24.614 18.136  2.9465 24.233  4.2267  12.371  4.1096 325.817 31.007 222.930 45.079 102.8875       54.71326 
1 1 1 14  31 1  o 251.583 25.069 14.129  2.6354 15.303  3.8037  13.045  3.6547 255.206 36.209 234.073 38.185 21.13269       52.62369 
1 1 1 15  0  0  o 350.941 25.277 26.703  3.7119 28.118  5.2853  25.325  5.2143 356.177 35.874 336.630 37.801 0.000000       0.000000 
1 1 1 15  0  1  o 41.727  28.915 -1.4541 1.7651 -2.6294 2.2751  0.3233  2.7977 43.737  30.844 68.318  43.587 0.000000       0.000000 
1 1 1 15  0  2  o 226.681 32.182 11.675  2.9095 9.1177  3.9406  14.740  4.3140 181.621 58.113 249.369 45.274 0.000000       0.000000 
1 1 1 15  0  3  o 223.968 32.545 11.437  2.8969 12.822  4.0730  10.018  4.1211 229.712 47.423 192.196 58.051 0.000000       0.000000 
1 1 1 15  0  4  o 450.371 25.145 43.803  4.7617 50.799  6.7852  37.014  6.6841 481.856 33.627 407.342 39.607 0.000000       0.000000 
1 1 1 15  0  5  o 235.898 48.623 13.555  4.2895 0.0000  0.0000  13.555  4.2895 235.898 48.623 235.898 48.623 0.000000       0.000000 
1 1 1 15  0  6  o 161.391 55.831 7.4434  3.4401 7.4434  3.4401  0.0000  0.0000 161.391 55.831 161.391 55.831 0.000000       0.000000 
1 1 1 15  0  7  o 253.426 29.474 14.363  3.0516 15.216  4.3738  13.554  4.2596 252.843 45.130 235.522 48.328 0.000000       0.000000 
1 1 1 15  0  8  o 222.453 31.448 11.287  2.7919 10.489  3.7079  12.330  4.2427 202.860 49.842 220.474 52.349 0.000000       0.000000 
1 1 1 15  0  9  o 307.753 26.333 20.788  3.3741 22.234  4.6571  19.189  4.8953 313.764 36.316 286.840 43.190 0.000000       0.000000 
1 1 1 15  0  10 o 303.277 26.093 20.183  3.2941 21.059  4.6074  19.267  4.7116 304.640 37.195 288.837 40.880 0.000000       0.000000 
1 1 1 15  1  0  o 263.937 18.551 14.960  2.0604 13.006  2.9350  16.858  2.8932 243.462 29.039 278.807 24.761 -35.34520      38.16272 
1 1 1 15  1  1  o 257.528 19.212 14.270  2.0802 13.975  2.9954  14.544  2.8912 252.449 28.518 258.095 26.844 -5.646118      39.16516 
1 1 1 15  1  2  o 155.748 24.484 5.3511  1.5616 5.5138  2.3452  5.2214  2.0931 155.273 36.313 151.625 33.491 3.648392       49.39958 
1 1 1 15  1  3  o 164.660 23.658 5.9588  1.6023 5.3123  2.3364  6.5329  2.2016 152.159 36.686 170.362 31.682 -18.20331      48.47308 
1 1 1 15  1  4  o 292.044 18.755 18.347  2.3074 17.463  3.3142  19.179  3.2143 282.147 28.112 296.568 25.851 -14.42050      38.19083 
1 1 1 15  1  5  o 439.454 25.111 41.914  4.6540 34.322  6.6424  49.235  6.5227 389.717 40.854 472.446 32.804 -82.72873      52.39450 
1 1 1 15  1  6  o 125.379 37.085 3.5650  2.1071 3.3158  3.1770  3.7607  2.8153 127.818 45.996 130.810 43.481 -2.991470      63.29514 
1 1 1 15  1  7  o 189.774 22.292 7.8775  1.7574 8.2192  2.4989  7.5432  2.4720 190.836 32.057 182.235 33.257 8.600815       46.19141 
1 1 1 15  1  8  o 240.655 19.025 12.528  1.9232 13.346  2.6832  11.663  2.7578 246.210 26.134 228.935 29.103 17.27464       39.11455 
1 1 1 15  1  9  o 321.725 17.991 22.296  2.4414 17.161  3.3580  28.053  3.5558 278.282 28.916 358.921 23.524 -80.63977      37.27624 
1 1 1 15  1  10 o 377.165 17.523 30.524  2.7989 30.872  3.9302  30.166  3.9869 376.076 24.817 371.421 25.501 4.655090       35.58324 
1 1 1 15  2  0  o 330.958 17.781 23.459  2.4830 22.245  3.5523  24.619  3.4720 320.049 26.446 337.385 24.466 -17.33585      36.02777 
1 1 1 15  2  1  o 132.178 27.783 3.9180  1.5058 5.4698  2.2730  2.7041  2.0102 154.995 35.405 112.393 36.713 42.60278       51.00293 
1 1 1 15  2  2  o 174.323 23.072 6.6493  1.6614 7.4070  2.4790  6.0315  2.2386 181.258 33.531 163.175 33.516 18.08214       47.40928 
1 1 1 15  2  3  o 410.039 17.361 35.956  3.0147 35.754  4.2861  36.154  4.2410 406.003 25.051 408.432 24.634 -2.429291      35.13395 
1 1 1 15  2  4  o 408.674 17.349 35.726  3.0025 32.305  4.2349  39.183  4.2576 385.341 26.105 425.503 23.722 -40.16153      35.27331 
1 1 1 15  2  5  o 432.089 25.526 40.561  4.6502 45.986  6.7649  35.701  6.4028 455.009 35.385 398.957 38.370 56.05252       52.19547 
1 1 1 15  2  6  o 224.660 28.882 11.178  2.6842 9.1253  3.9853  12.882  3.6315 195.718 48.362 238.247 37.209 -42.52898      61.01952 
1 1 1 15  2  7  o 222.903 20.527 10.785  1.9159 7.1516  2.7513  14.206  2.6696 175.690 38.078 254.669 25.078 -78.97897      45.59415 
1 1 1 15  2  8  o 123.030 28.475 3.4421  1.4542 4.0369  2.0093  2.7879  2.1073 132.229 35.243 113.223 37.618 19.00529       51.54780 
1 1 1 15  2  9  o 154.178 23.904 5.2715  1.5102 3.0883  2.0988  7.6159  2.1749 117.529 37.435 184.356 28.799 -66.82693      47.23078 
1 1 1 15  2  10 f 262.720 19.051 14.920  2.1052 13.086  2.9331  16.869  3.0234 242.615 29.129 277.063 26.074 -34.44733      39.09426 
1 1 1 15  3  0  o 661.474 16.699 93.363  4.6779 90.067  6.5614  96.770  6.6712 647.084 23.944 670.935 23.479 -23.85077      33.53448 
1 1 1 15  3  1  o 130.167 27.461 3.7991  1.4662 7.3173  2.2214  1.0834  1.9517 181.300 29.980 89.485  35.175 91.81442       46.21807 
1 1 1 15  3  2  o 146.554 25.240 4.7627  1.5100 3.4263  2.1474  6.0698  2.1236 123.801 37.627 164.167 31.694 -40.36618      49.19608 
1 1 1 15  3  3  o 499.742 16.951 53.387  3.5874 53.072  5.0574  53.706  5.0893 495.880 24.083 498.828 24.092 -2.947845      34.06452 
1 1 1 15  3  4  o 204.391 20.736 9.0633  1.7700 9.3586  2.5306  8.7804  2.4766 205.147 30.017 198.453 30.440 6.694077       42.75042 
1 1 1 15  3  5  o 195.945 32.862 8.6382  2.6304 7.2097  3.8061  9.9442  3.6393 174.479 49.319 206.824 42.955 -32.34441      65.40273 
1 1 1 15  3  6  o 232.138 27.762 11.888  2.6751 11.982  3.8214  11.797  3.7460 227.949 41.098 226.370 40.565 1.580017       57.74556 
1 1 1 15  3  7  o 108.111 30.639 2.6401  1.4669 2.1695  2.1880  3.0243  1.9771 105.506 38.143 116.287 36.240 -10.78155      52.61409 
1 1 1 15  3  8  f 222.066 19.726 10.697  1.8358 14.345  2.5607  6.8396  2.6332 256.102 23.886 171.678 37.286 84.42378       44.28077 
1 1 1 15  3  9  o 231.989 20.117 11.682  1.9569 12.696  2.7496  10.641  2.7856 239.434 27.624 217.666 31.103 21.76811       41.59931 
1 1 1 15  4  0  o 112.263 28.310 2.8329  1.3457 0.6566  1.8564  5.2426  1.9535 82.917  33.719 152.652 31.269 -69.73490      45.98610 
1 1 1 15  4  1  o 198.641 20.313 8.5427  1.6847 6.7570  2.4298  10.196  2.3380 172.812 34.410 215.775 26.117 -42.96216      43.19954 
1 1 1 15  4  2  o 144.403 24.420 4.6160  1.4401 6.7884  2.0650  2.5593  2.0093 174.599 28.942 110.032 36.740 64.56736       46.77041 
1 1 1 15  4  3  o 524.638 17.023 58.849  3.7821 62.490  5.3518  55.217  5.3457 538.286 23.477 505.390 24.977 32.89584       34.27843 
1 1 1 15  4  4  o 253.095 19.424 13.817  2.0661 10.026  2.9634  17.402  2.8821 210.979 34.349 282.851 24.296 -71.87170      42.07330 
1 1 1 15  4  5  o 293.042 27.746 18.829  3.4022 17.597  4.9163  19.961  4.7131 276.572 43.403 297.366 38.317 -20.79434      57.89708 
1 1 1 15  4  6  o 204.728 28.594 9.3055  2.4115 7.6179  3.5642  10.730  3.2748 179.222 46.545 217.043 36.953 -37.82042      59.43001 
1 1 1 15  4  7  o 303.921 18.567 19.906  2.3782 21.499  3.4153  18.406  3.3137 313.346 25.971 289.241 27.378 24.10550       37.73684 
1 1 1 15  4  8  o 286.353 18.866 17.705  2.2750 17.448  3.1934  17.970  3.2419 281.392 27.134 285.606 27.129 -4.213959      38.36998 
1 1 1 15  4  9  o 333.619 17.593 23.955  2.4768 23.733  3.4485  24.191  3.5595 329.427 24.902 332.352 25.484 -2.924896      35.63120 
1 1 1 15  5  0  o 306.851 17.726 20.182  2.2937 21.072  3.1797  19.217  3.3119 311.947 24.260 297.143 26.601 14.80396       36.00194 
1 1 1 15  5  1  o 226.620 19.681 11.083  1.8701 11.618  2.6180  10.525  2.6721 230.107 27.405 218.202 29.688 11.90514       40.40311 
1 1 1 15  5  2  o 226.319 19.806 11.064  1.8791 12.253  2.6330  9.8295  2.6827 236.423 26.770 210.145 31.082 26.27776       41.02094 
1 1 1 15  5  3  o 326.336 17.711 22.855  2.4385 23.280  3.4014  22.405  3.4977 327.324 24.720 320.653 25.981 6.671356       35.86221 
1 1 1 15  5  4  o 283.426 18.679 17.287  2.2294 18.855  3.1283  15.669  3.1781 294.128 25.363 266.893 28.561 27.23547       38.19703 
1 1 1 15  5  5  o 146.354 29.311 4.8277  1.7534 3.9394  2.8865  5.3470  2.2072 133.505 44.011 152.787 34.880 -19.28276      56.15699 
1 1 1 15  5  6  o 118.354 35.210 3.1613  1.8952 5.0925  2.8037  1.5364  2.5718 147.977 42.499 102.570 40.360 45.40776       58.60935 
1 1 1 15  5  7  o 192.407 21.563 8.0837  1.7268 6.1683  2.4704  9.9137  2.4146 163.257 36.632 211.435 27.627 -48.17801      45.88233 
1 1 1 15  5  8  o 360.513 17.534 27.893  2.6770 27.745  3.7699  28.044  3.8019 356.237 25.151 358.127 25.229 -1.889984      35.62394 
1 1 1 15  5  9  o 187.127 20.472 7.6374  1.5959 7.3911  2.2983  7.8666  2.2177 180.715 31.156 187.364 28.877 -6.649231      42.48061 
1 1 1 15  6  0  o 162.895 21.614 5.7908  1.4542 5.7403  1.9938  5.8482  2.1255 159.994 30.541 161.084 32.283 -1.090088      44.44003 
1 1 1 15  6  1  o 348.410 17.335 25.945  2.5578 21.606  3.5300  30.741  3.7113 314.887 26.723 377.140 23.352 -62.25269      35.48874 
1 1 1 15  6  2  o 266.213 18.789 15.254  2.1046 14.828  2.8329  15.778  3.1442 260.525 26.024 268.151 28.106 -7.625671      38.30397 
1 1 1 15  6  3  o 193.005 21.227 8.1013  1.7063 10.334  2.3805  5.7419  2.4471 216.835 26.473 157.986 37.192 58.84941       45.65147 
1 1 1 15  6  4  o 133.929 29.466 4.0570  1.6258 4.7758  1.9703  2.5232  2.8783 144.759 32.887 116.862 43.494 27.89699       54.52792 
1 1 1 15  6  5  o 209.280 24.261 9.5892  2.1103 6.4079  3.4565  11.480  2.6645 164.984 47.127 228.007 28.196 -63.02275      54.91800 
1 1 1 15  6  6  o 159.182 25.975 5.6365  1.6907 6.0231  2.1537  5.0158  2.7291 162.779 32.381 146.836 41.853 15.94315       52.91702 
1 1 1 15  6  7  o 189.124 21.792 7.8209  1.7135 7.5089  2.4526  8.1184  2.3948 181.682 33.096 189.887 30.839 -8.205582      45.23695 
1 1 1 15  6  8  o 693.194 17.346 103.107 5.0922 115.360 7.2309  91.052  7.1724 729.285 23.413 645.962 26.219 83.32281       35.15092 
1 1 1 15  6  9  o 139.143 23.925 4.3141  1.3590 4.5962  1.9814  4.0634  1.8674 141.138 33.629 132.762 33.278 8.375259       47.31059 
1 1 1 15  7  0  o 97.631  30.611 2.0632  1.4082 1.2170  2.3439  2.5411  1.7615 96.748  38.383 108.181 34.278 -11.43288      51.46085 
1 1 1 15  7  1  o 498.643 19.632 53.299  4.1457 48.644  6.9324  55.890  5.1726 468.951 35.163 509.093 23.992 -40.14200      42.56829 
1 1 1 15  7  2  o 209.412 23.625 9.5726  2.0585 8.7961  3.3733  10.033  2.5984 194.753 42.126 212.695 29.654 -17.94144      51.51632 
1 1 1 15  7  3  o 116.261 33.037 3.0510  1.7032 1.6786  2.5931  4.0921  2.2587 104.639 40.713 133.803 38.053 -29.16432      55.72783 
1 1 1 15  7  4  o 535.827 23.891 62.024  5.4213 52.199  7.4600  73.019  7.8921 483.920 36.674 575.746 32.501 -91.82599      49.00316 
1 1 1 15  7  5  o 145.303 37.747 4.8757  2.3437 0.0000  0.0000  4.8757  2.3437 ?       ?      145.303 37.747 0.000000       37.74691 
1 1 1 15  7  6  o 179.706 32.428 7.3150  2.3771 5.8514  3.1258  9.3223  3.6606 157.650 44.741 198.689 44.599 -41.03947      63.17318 
1 1 1 15  7  7  o 158.355 27.633 5.6272  1.7857 7.1395  2.9771  4.7773  2.2318 174.245 41.024 143.443 36.615 30.80269       54.98767 
1 1 1 15  7  8  o 190.337 24.250 7.9890  1.9103 6.1736  3.1936  9.0004  2.3838 160.915 45.070 200.631 28.889 -39.71628      53.53337 
1 1 1 15  7  9  o 287.304 20.726 17.903  2.5048 15.839  4.3121  18.954  3.0771 261.790 40.178 294.129 24.939 -32.33896      47.28844 
1 1 1 15  8  0  o 136.322 29.224 4.1849  1.6365 3.6449  2.7225  4.4903  2.0477 129.514 42.744 140.344 34.658 -10.82968      55.02980 
1 1 1 15  8  1  o 310.315 20.839 20.770  2.7227 15.698  4.3935  23.932  3.4691 262.602 40.833 331.961 24.857 -69.35913      47.80355 
1 1 1 15  8  2  o 334.041 20.691 24.063  2.9127 20.738  4.8858  25.896  3.6278 303.046 38.973 345.178 24.987 -42.13196      46.29482 
1 1 1 15  8  3  o 298.349 21.338 19.243  2.6782 13.092  4.2367  23.336  3.4564 237.713 43.696 327.462 25.115 -89.74890      50.39925 
1 1 1 15  8  4  o 265.951 26.815 15.506  2.9789 13.132  4.0091  18.432  4.4512 239.104 41.073 285.755 37.703 -46.65123      55.75361 
1 1 1 15  8  5  o 303.315 27.317 20.174  3.4713 0.0000  0.0000  20.174  3.4713 ?       ?      303.315 27.317 0.000000       27.31729 
1 1 1 15  8  6  o 395.237 25.414 34.076  4.2312 35.084  5.7253  32.862  6.2808 396.296 34.457 380.344 39.573 15.95120       52.47211 
1 1 1 15  8  7  o 127.391 30.545 3.7122  1.6266 3.7547  2.7492  3.6893  2.0176 129.593 42.963 126.622 35.949 2.970543       56.01894 
1 1 1 15  8  8  o 262.489 22.190 15.014  2.4436 15.035  4.2140  15.003  2.9993 254.760 40.408 260.410 27.618 -5.649887      48.94452 
1 1 1 15  8  9  o 264.119 21.690 15.181  2.4047 10.285  4.0649  17.816  2.9825 206.582 47.461 285.070 24.957 -78.48761      53.62267 
1 1 1 15  9  0  f 472.253 19.642 47.810  3.9282 36.640  6.3773  54.639  4.9865 405.380 37.575 503.570 23.383 -98.18939      44.25616 
1 1 1 15  9  1  o 376.444 20.283 30.508  3.2216 27.256  5.3277  32.382  4.0448 349.335 36.554 386.298 24.857 -36.96341      44.20466 
1 1 1 15  9  2  o 432.327 19.778 40.121  3.6210 45.946  6.0686  36.901  4.5123 456.910 31.556 411.824 26.006 45.08600       40.89147 
1 1 1 15  9  3  o 497.802 19.827 53.209  4.1798 55.060  6.9806  52.175  5.2188 499.212 33.209 490.243 25.223 8.968597       41.70116 
1 1 1 15  9  4  o 157.154 36.115 5.6796  2.3531 3.7809  3.1890  7.9491  3.4865 133.094 46.243 183.608 45.153 -50.51424      64.63120 
1 1 1 15  9  5  o 279.579 27.684 17.191  3.2346 0.0000  0.0000  17.191  3.2346 ?       ?      279.579 27.684 0.000000       27.68368 
1 1 1 15  9  6  o 295.165 27.293 19.170  3.3730 19.364  4.6050  18.945  4.9545 291.591 38.211 286.284 42.125 5.307556       56.87396 
1 1 1 15  9  7  o 387.641 20.674 32.513  3.3816 39.406  5.8963  29.135  4.1280 419.882 33.437 364.157 26.959 55.72482       42.95128 
1 1 1 15  9  8  o 115.703 32.086 3.0613  1.6271 2.3116  2.7450  3.4674  2.0202 112.143 42.325 122.959 36.298 -10.81619      55.75808 
1 1 1 15  9  9  o 181.426 26.746 7.3341  1.9933 6.3247  3.3904  7.8673  2.4642 162.434 46.759 186.003 32.464 -23.56964      56.92363 
1 1 1 15  10 0  o 397.370 19.710 33.868  3.3168 27.754  5.4197  37.530  4.1939 352.491 36.851 416.412 23.882 -63.92017      43.91273 
1 1 1 15  10 1  o 183.083 25.020 7.3765  1.8891 8.1187  3.1369  6.9542  2.3663 187.247 40.719 175.322 33.084 11.92508       52.46466 
1 1 1 15  10 2  o 328.182 20.599 23.239  2.8483 23.880  4.7095  22.870  3.5766 327.340 34.492 323.654 26.322 3.685913       43.38847 
1 1 1 15  10 3  o 318.700 21.196 21.950  2.8444 21.648  4.6728  22.128  3.5851 310.630 36.201 318.069 26.867 -7.439178      45.08119 
1 1 1 15  10 4  o 275.557 27.606 16.686  3.1781 15.103  4.4152  18.389  4.5784 255.958 42.203 284.517 39.026 -28.55952      57.48159 
1 1 1 15  10 5  o 312.260 27.666 21.426  3.6207 0.0000  0.0000  21.426  3.6207 ?       ?      312.260 27.666 0.000000       27.66603 
1 1 1 15  10 6  o 285.775 26.646 17.961  3.1876 21.074  4.3396  14.314  4.6975 306.317 34.028 245.477 46.896 60.83968       57.94107 
1 1 1 15  10 7  o 413.308 20.259 36.849  3.5460 31.150  5.9091  40.057  4.4328 369.787 38.288 428.447 24.533 -58.65997      45.47375 
1 1 1 15  10 8  o 84.255  30.959 1.2981  1.4499 5.0074  2.3958  -0.8454 1.8213 146.210 38.253 66.776  30.179 79.43340       48.72401 
1 1 1 15  10 9  o 126.707 32.886 3.6979  1.7800 3.5561  2.8017  3.7939  2.3050 127.131 43.379 128.450 38.971 -1.318497      58.31366 
1 1 1 15  11 0  o 255.476 21.697 14.141  2.3252 11.276  3.7597  15.915  2.9589 221.158 41.672 269.787 26.230 -48.62886      49.23952 
1 1 1 15  11 1  o 252.072 22.273 13.794  2.3531 12.132  3.8859  14.757  2.9569 229.428 41.524 259.216 27.349 -29.78789      49.72097 
1 1 1 15  11 2  o 468.679 19.765 47.176  3.9230 49.524  6.5495  45.862  4.8990 473.355 32.876 459.413 25.278 13.94205       41.47038 
1 1 1 15  11 3  o 132.396 35.864 4.0198  2.0607 5.6444  2.7983  2.0953  3.0458 155.572 41.648 113.814 44.168 41.75850       60.70693 
1 1 1 15  11 4  f 421.107 20.124 38.135  3.5888 31.842  5.8694  41.892  4.5354 376.279 37.326 439.115 24.487 -62.83557      44.64088 
1 1 1 15  11 5  f 177.431 35.721 7.2347  2.5912 0.0000  0.0000  7.2347  2.5912 ?       ?      177.431 35.721 0.000000       35.72123 
1 1 1 15  11 6  o 410.201 20.458 36.293  3.5539 29.024  5.7973  40.669  4.4983 356.663 39.018 431.781 24.703 -75.11755      46.18061 
1 1 1 15  11 7  o 166.122 27.055 6.1807  1.8378 4.8475  2.9907  6.9896  2.3296 143.853 44.530 174.943 32.645 -31.08945      55.21384 
1 1 1 15  11 8  o 329.760 20.990 23.590  2.9160 24.508  4.8999  23.088  3.6286 328.897 35.755 323.840 26.696 5.056946       44.62163 
1 1 1 15  12 0  o 682.633 19.317 99.990  5.5844 95.470  9.2188  102.610 7.0186 657.868 33.197 689.021 24.053 -31.15302      40.99514 
1 1 1 15  12 1  o 362.644 20.259 28.352  3.0989 32.075  5.2016  26.303  3.8584 380.594 32.586 347.074 26.450 33.52005       41.96985 
1 1 1 15  12 2  o 561.047 19.578 67.604  4.6517 65.891  7.7678  68.562  5.8084 545.426 33.796 562.835 24.369 -17.40833      41.66526 
1 1 1 15  12 3  o 184.934 32.014 7.7132  2.4165 4.3005  3.2659  11.842  3.5922 139.229 46.838 227.461 38.676 -88.23218      60.74259 
1 1 1 15  12 4  o 664.092 24.694 95.650  6.9447 0.0000  0.0000  95.650  6.9447 ?       ?      664.092 24.694 0.000000       24.69361 
1 1 1 15  12 5  o 206.923 30.104 9.5894  2.5606 6.6802  3.4093  13.354  3.8785 167.207 46.473 240.724 39.409 -73.51680      60.93291 
1 1 1 15  12 6  o 485.278 20.014 50.781  4.1130 51.027  6.9454  50.649  5.1044 476.908 34.625 481.558 25.116 -4.650024      42.77508 
1 1 1 15  12 7  o 275.705 22.125 16.567  2.5615 11.908  4.1421  19.451  3.2595 223.342 45.341 297.270 26.157 -73.92778      52.34534 
1 1 1 15  12 8  o 296.218 21.787 19.093  2.7139 23.319  4.6192  16.865  3.3538 321.388 34.477 275.350 29.207 46.03842       45.18552 
1 1 1 15  13 0  o 342.038 19.810 25.213  2.8571 22.642  4.6742  26.747  3.6101 318.049 35.299 350.739 24.458 -32.68997      42.94389 
1 1 1 15  13 1  o 352.353 20.188 26.776  2.9998 21.159  4.9322  30.073  3.7792 305.435 39.023 372.076 24.114 -66.64090      45.87237 
1 1 1 15  13 2  o 594.394 19.322 75.877  4.8638 79.126  8.1661  74.091  6.0550 598.694 32.328 584.892 24.445 13.80249       40.53000 
1 1 1 15  13 3  o 445.039 24.108 43.011  4.5267 45.546  6.3118  40.325  6.4955 453.082 33.125 424.117 36.521 28.96481       49.30526 
1 1 1 15  13 4  o 433.293 24.966 40.906  4.5617 0.0000  0.0000  40.906  4.5617 ?       ?      433.293 24.966 0.000000       24.96565 
1 1 1 15  13 5  o 84.941  33.767 0.9465  1.8174 1.0510  2.3375  0.7868  2.8900 93.871  37.956 98.980  41.334 -5.108932      56.11710 
1 1 1 15  13 6  o 219.634 23.892 10.602  2.1864 9.3778  3.5978  11.319  2.7531 198.295 43.994 224.903 29.626 -26.60812      53.03928 
1 1 1 15  13 7  o 263.823 22.146 15.185  2.4514 15.581  3.9928  14.945  3.1056 260.599 37.239 259.139 28.786 1.460388       47.06726 
1 1 1 15  13 8  o 151.168 29.650 5.1974  1.8304 7.6247  2.7958  3.3765  2.4214 180.805 37.733 122.747 40.302 58.05781       55.20885 
1 1 1 15  14 0  o 183.023 25.763 7.4035  1.9416 6.3102  3.3036  7.9804  2.3997 163.531 45.852 188.446 31.159 -24.91536      55.43688 
1 1 1 15  14 1  o 289.397 21.366 18.139  2.6001 14.935  4.3000  19.986  3.2645 254.722 41.274 302.368 25.738 -47.64558      48.64208 
1 1 1 15  14 2  o 553.349 23.127 66.197  5.4195 61.796  7.4988  71.009  7.8414 527.630 33.736 566.400 32.832 -38.77045      47.07505 
1 1 1 15  14 3  f 384.647 24.137 32.188  3.9118 27.390  5.3808  37.565  5.6972 348.439 37.032 411.034 33.008 -62.59592      49.60753 
1 1 1 15  14 4  o 203.352 31.328 9.3118  2.6112 0.0000  0.0000  9.3118  2.6112 ?       ?      203.352 31.328 0.000000       31.32765 
1 1 1 15  14 5  o 173.399 33.727 6.8995  2.3875 3.1030  3.2363  11.433  3.5366 124.704 46.177 222.016 39.040 -97.31184      60.46855 
1 1 1 15  14 6  o 385.128 20.626 32.140  3.3518 29.468  5.6542  33.588  4.1619 359.296 37.723 391.539 25.235 -32.24319      45.38494 
1 1 1 15  14 7  o 180.213 26.269 7.2410  1.9459 7.0231  3.2550  7.3621  2.4273 170.861 44.532 179.236 33.201 -8.375473      55.54644 
1 1 1 15  14 8  o 142.626 30.827 4.6612  1.8077 5.3192  3.0528  4.3059  2.2433 149.657 44.725 135.800 37.681 13.85643       58.48174 
1 1 1 15  15 0  o 175.082 25.865 6.7920  1.8600 0.5629  2.9571  10.870  2.3926 98.469  41.507 222.277 25.903 -123.8073      48.92667 
1 1 1 15  15 1  o 415.985 19.672 37.204  3.4655 45.766  5.8540  32.585  4.2999 455.647 30.514 386.127 26.455 69.51968       40.38504 
1 1 1 15  15 2  o 357.605 24.107 27.833  3.6294 22.715  4.8625  34.272  5.4539 317.103 36.899 392.451 33.125 -75.34711      49.58607 
1 1 1 15  15 3  o 392.652 25.505 33.679  4.2181 0.0000  0.0000  33.679  4.2181 ?       ?      392.652 25.505 0.000000       25.50478 
1 1 1 15  15 4  o 186.210 26.306 7.7073  2.0167 10.900  3.4795  6.0922  2.4747 216.626 39.379 161.738 36.941 54.88757       53.99367 
1 1 1 15  15 5  o 146.802 35.459 5.0181  2.1797 7.1763  3.0507  2.7674  3.1155 173.692 41.947 120.037 45.137 53.65486       61.61880 
1 1 1 15  15 6  o 261.348 23.068 14.950  2.5269 13.058  4.2945  15.952  3.1252 233.891 44.990 268.048 27.942 -34.15611      52.96109 
1 1 1 15  15 7  o 141.265 30.517 4.5740  1.7723 2.1832  3.2250  5.6085  2.1214 115.051 45.219 155.913 33.150 -40.86264      56.06844 
1 1 1 15  16 0  o 267.217 20.885 15.475  2.3446 12.851  3.9283  16.926  2.9221 235.811 40.815 278.173 25.075 -42.36145      47.90170 
1 1 1 15  16 1  o 202.753 24.713 9.0432  2.0781 12.466  3.6800  7.4408  2.5180 233.068 38.637 180.572 34.179 52.49634       51.58543 
1 1 1 15  16 2  o 277.509 25.443 16.882  2.9569 14.571  4.0003  19.665  4.3901 252.093 38.708 294.999 35.880 -42.90642      52.77897 
1 1 1 15  16 3  o 76.108  31.774 0.3618  1.7071 0.0000  0.0000  0.3618  1.7071 ?       ?      76.108  31.774 0.000000       31.77379 
1 1 1 15  16 4  o 615.219 19.486 81.598  5.0769 74.134  8.3485  85.979  6.3953 574.764 34.457 628.611 24.023 -53.84674      42.00509 
1 1 1 15  16 5  o 224.565 29.568 11.308  2.7436 10.143  3.7213  12.695  4.0609 205.933 44.006 231.575 42.991 -25.64261      61.52052 
1 1 1 15  16 6  o 124.720 31.420 3.5874  1.6588 1.0486  2.7421  5.0526  2.0831 98.868  40.680 147.500 34.040 -48.63220      53.04330 
1 1 1 15  16 7  o 165.756 27.387 6.1769  1.8553 5.4114  2.9759  6.6637  2.3729 150.588 43.941 169.853 34.172 -19.26544      55.66434 
1 1 1 15  17 0  o 804.985 19.293 139.345 6.5770 137.740 10.784  140.295 8.2991 789.562 32.252 804.066 24.372 -14.50439      40.42513 
1 1 1 15  17 1  o 307.948 25.411 20.762  3.2843 16.996  4.4901  25.094  4.8163 271.762 40.230 334.347 34.512 -62.58545      53.00485 
1 1 1 15  17 2  o 360.774 20.028 28.136  3.0479 34.313  5.1919  24.888  3.7650 392.854 31.471 336.588 26.630 56.26581       41.22625 
1 1 1 15  17 3  o 163.424 34.740 6.1767  2.3303 0.0000  0.0000  6.1767  2.3303 ?       ?      163.424 34.740 0.000000       34.74046 
1 1 1 15  17 4  o 110.167 36.111 2.6796  1.9443 3.2299  2.5661  1.9377  2.9793 121.324 41.514 110.197 43.414 11.12725       60.06878 
1 1 1 15  17 5  o 365.658 20.264 28.992  3.1256 36.779  5.3547  24.967  3.8495 405.566 31.422 336.031 27.286 69.53494       41.61586 
1 1 1 15  17 6  o 294.783 21.039 18.909  2.6092 23.509  4.5151  16.602  3.1970 322.536 33.546 273.275 28.022 49.26147       43.71004 
1 1 1 15  18 0  o 222.913 23.132 10.873  2.1519 8.6220  3.5423  12.190  2.7090 190.281 44.716 234.547 27.815 -44.26601      52.66118 
1 1 1 15  18 1  o 197.731 31.115 8.8180  2.5194 5.4549  3.2987  13.526  3.9028 151.947 46.722 241.930 39.453 -89.98282      61.15147 
1 1 1 15  18 2  o 417.654 25.065 38.160  4.4127 0.0000  0.0000  38.160  4.4127 ?       ?      417.654 25.065 0.000000       25.06459 
1 1 1 15  18 3  o 465.203 19.646 46.710  3.8704 45.397  6.3669  47.479  4.8744 449.383 33.701 465.812 24.799 -16.42938      41.84189 
1 1 1 15  18 4  o 122.061 36.515 3.4379  2.0342 3.8054  2.9585  3.1083  2.8014 130.174 44.576 121.057 43.231 9.116989       62.09581 
1 1 1 15  18 5  o 201.681 25.172 9.0227  2.1032 8.6010  3.3866  9.2874  2.6833 189.221 43.211 201.761 32.509 -12.54024      54.07402 
1 1 1 15  18 6  o 352.593 20.363 26.980  3.0277 24.621  5.0988  28.264  3.7629 327.531 37.432 358.779 24.920 -31.24835      44.96877 
1 1 1 15  19 0  o 88.281  34.440 1.1671  1.8594 -0.8241 2.4016  4.1469  2.9379 78.262  35.072 135.029 44.396 -56.76717      56.57791 
1 1 1 15  19 1  o 182.165 32.377 7.5661  2.4062 6.6031  3.1690  8.8772  3.6976 165.954 44.273 191.786 46.097 -25.83246      63.91375 
1 1 1 15  19 2  o 360.613 25.753 28.586  3.9070 0.0000  0.0000  28.586  3.9070 ?       ?      360.613 25.753 0.000000       25.75294 
1 1 1 15  19 3  o 197.659 24.584 8.6524  2.0134 10.072  3.3579  7.8556  2.5158 206.898 39.769 184.900 33.356 21.99800       51.90583 
1 1 1 15  19 4  o 508.715 23.727 56.455  5.1116 53.552  6.9242  59.932  7.5779 487.246 33.765 514.404 34.994 -27.15802      48.62726 
1 1 1 15  19 5  o 247.874 22.643 13.470  2.3507 13.982  3.9318  13.185  2.9325 244.696 39.271 242.568 29.129 2.128235       48.89462 
1 1 1 15  19 6  o 176.587 29.252 7.0584  2.1110 9.3958  3.3056  5.4488  2.7431 199.218 40.560 151.033 41.575 48.18477       58.08221 
1 1 1 15  20 0  o 301.626 25.323 19.994  3.2047 19.508  4.1815  20.685  4.9888 293.568 34.280 298.762 40.471 -5.193817      53.03804 
1 1 1 15  20 1  o 140.907 47.408 4.5904  3.3459 0.0000  0.0000  4.5904  3.3459 ?       ?      140.907 47.408 0.000000       47.40844 
1 1 1 15  20 2  o 152.714 29.048 5.3096  1.8100 7.6959  3.0261  3.9803  2.2585 179.804 40.691 130.466 38.340 49.33789       55.90816 
1 1 1 15  20 3  o 89.974  32.652 1.5631  1.6056 0.6092  2.5841  2.1630  2.0492 92.406  38.868 103.127 36.958 -10.72140      53.63438 
1 1 1 15  20 4  o 290.657 21.163 18.420  2.5870 21.330  4.3270  16.802  3.2274 306.285 33.929 274.488 28.164 31.79663       44.09489 
1 1 1 15  20 5  o 146.345 31.928 4.9520  1.9231 6.4647  3.0631  3.9678  2.4708 163.481 43.486 130.391 40.493 33.08978       59.41994 
1 1 1 15  21 0  o 314.917 24.554 21.780  3.2487 17.818  4.2046  27.649  5.1175 278.657 36.508 348.842 35.118 -70.18484      50.65691 
1 1 1 15  21 1  o 425.749 35.434 41.220  6.3308 0.0000  0.0000  41.220  6.3308 ?       ?      425.749 35.434 0.000000       35.43446 
1 1 1 15  21 2  o 158.671 28.584 5.7213  1.8501 8.1828  2.8742  3.9800  2.4174 186.563 37.676 130.364 39.983 56.19868       54.93744 
1 1 1 15  21 3  o 105.413 36.527 2.3692  1.9891 3.3536  2.9170  1.5138  2.7194 124.115 44.136 102.554 41.125 21.56046       60.32592 
1 1 1 15  21 4  o 162.176 29.071 5.9857  1.9232 2.1928  3.0969  8.3667  2.4537 113.156 44.363 191.462 31.347 -78.30560      54.32072 
1 1 1 15  21 5  o 113.620 33.101 2.9697  1.6899 0.6443  2.7515  4.3782  2.1414 95.001  40.041 136.420 36.393 -41.41935      54.10884 
1 1 1 15  22 0  o 143.096 34.172 4.7864  2.0423 0.0000  0.0000  4.7864  2.0423 ?       ?      143.096 34.172 0.000000       34.17225 
1 1 1 15  22 1  o 311.668 19.653 21.101  2.5807 20.359  4.2694  21.528  3.2395 298.553 34.397 312.577 24.673 -14.02350      42.33063 
1 1 1 15  22 2  o 157.036 27.510 5.5886  1.7628 1.4604  2.7689  8.4024  2.2860 102.478 41.355 192.776 28.891 -90.29807      50.44741 
1 1 1 15  22 3  o 109.782 34.582 2.7339  1.7949 0.3009  2.6087  4.9213  2.4735 89.845  38.467 143.609 39.457 -53.76315      55.10502 
1 1 1 15  22 4  f 208.285 24.679 9.6241  2.1345 11.921  3.6139  8.3935  2.6452 225.012 39.358 190.517 34.034 34.49506       52.03211 
1 1 1 15  23 0  o 243.036 27.058 13.186  2.7376 0.0000  0.0000  13.186  2.7376 ?       ?      243.036 27.058 0.000000       27.05755 
1 1 1 15  23 1  o 191.163 23.480 8.0992  1.8608 9.2901  3.1008  7.4289  2.3263 198.298 38.310 179.768 31.717 18.53044       49.73561 
1 1 1 15  23 2  o 162.480 26.159 5.9459  1.7389 5.2431  2.8923  6.3438  2.1760 147.174 43.426 165.620 32.184 -18.44591      54.05252 
1 1 1 15  23 3  o 205.299 27.835 9.4779  2.3577 7.8151  3.2339  11.365  3.4446 179.303 43.118 219.837 38.397 -40.53424      57.73580 
1 1 1 15  24 0  o 58.382  25.871 -0.3407 1.2695 -0.2695 2.5168  -0.3650 1.4703 83.555  36.754 62.909  27.861 20.64626       46.12041 
1 1 1 15  24 1  o 143.087 26.815 4.6564  1.5652 5.8820  2.6144  3.9717  1.9541 156.409 39.469 129.856 34.819 26.55315       52.63255 
1 1 1 15  24 2  o 298.626 24.503 19.693  3.0715 18.848  4.1519  20.715  4.5651 286.169 34.988 298.912 36.843 -12.74335      50.80866 
1 1 1 15  24 3  o 104.494 31.203 2.4919  1.4864 4.7947  2.5532  1.3114  1.8281 141.442 40.537 88.950  34.302 52.49171       53.10255 
1 1 1 15  25 0  o 325.950 19.638 23.129  2.6982 22.371  4.5282  23.547  3.3597 311.612 34.914 326.449 24.480 -14.83783      42.64145 
1 1 1 15  25 1  o 80.994  30.464 1.1577  1.4194 2.7795  2.6829  0.5273  1.6727 115.219 42.147 76.663  31.682 38.55553       52.72692 
1 1 1 15  25 2  o 206.762 27.253 9.6088  2.3282 7.7898  3.1448  11.815  3.4633 179.027 42.173 224.133 37.834 -45.10597      56.65686 
1 1 1 15  26 0  o 352.428 19.335 27.020  2.8747 31.935  4.8175  24.302  3.5824 376.012 30.517 330.765 25.778 45.24710       39.94780 
1 1 1 15  26 1  o 219.561 41.206 11.582  3.6907 0.0000  0.0000  11.582  3.6907 ?       ?      219.561 41.206 0.000000       41.20635 
1 1 1 15  27 0  f 95.859  34.245 1.8895  1.7580 4.0918  2.7434  0.3552  2.2899 131.264 42.888 84.965  36.200 46.29890       56.12372 
1 1 1 16  0  0  o 227.244 30.849 11.700  2.8144 7.8262  3.9527  15.683  4.0081 161.400 61.451 260.772 38.828 0.000000       0.000000 
1 1 1 16  0  1  o 359.522 25.388 28.110  3.8211 29.330  5.3652  26.855  5.4434 362.795 35.715 345.340 38.439 0.000000       0.000000 
1 1 1 16  0  2  o 84.526  43.894 2.3010  2.0375 2.8635  2.6077  1.4194  3.2648 93.943  49.416 81.385  49.762 0.000000       0.000000 
1 1 1 16  0  3  o 146.463 58.140 6.5774  3.4792 0.0000  0.0000  6.5774  3.4792 146.463 58.140 146.463 58.140 0.000000       0.000000 
1 1 1 16  0  4  o 278.644 40.665 18.000  4.5000 18.000  4.5000  0.0000  0.0000 278.644 40.665 278.644 40.665 0.000000       0.000000 
1 1 1 16  0  5  o 71.706  41.019 1.4883  1.9661 1.1500  2.6019  1.9386  3.0018 73.041  44.549 84.119  49.528 0.000000       0.000000 
1 1 1 16  0  6  o 83.032  44.443 2.2058  2.1398 1.5661  2.7510  3.1856  3.4046 78.495  46.847 99.582  55.114 0.000000       0.000000 
1 1 1 16  1  0  o 332.416 18.136 23.755  2.5435 22.358  3.6088  25.134  3.5854 319.575 26.916 339.660 25.103 -20.08521      36.80541 
1 1 1 16  1  1  o 335.279 18.308 24.181  2.5897 22.124  3.6516  26.262  3.6732 317.568 27.421 347.095 25.160 -29.52661      37.21459 
1 1 1 16  1  2  o 321.193 18.247 22.211  2.4718 23.689  3.6082  20.904  3.3929 328.966 26.115 308.880 26.184 20.08563       36.98117 
1 1 1 16  1  3  o 292.732 27.190 18.870  3.3322 17.816  4.7586  19.883  4.6677 277.378 41.809 295.254 38.228 -17.87625      56.65111 
1 1 1 16  1  4  o 452.179 24.913 44.636  4.7523 44.901  6.7094  44.368  6.7322 446.528 35.781 443.582 36.152 2.946716       50.86528 
1 1 1 16  1  5  o 157.311 29.917 5.6162  1.9202 4.6157  3.6137  6.0098  2.2667 142.937 49.250 161.445 34.216 -18.50710      59.96923 
1 1 1 16  1  6  o 213.027 21.600 9.9082  1.9217 8.9960  2.8376  10.681  2.6119 198.111 35.107 218.774 28.898 -20.66391      45.47108 
1 1 1 16  2  0  o 197.304 21.044 8.4707  1.7312 9.1901  2.4808  7.7879  2.4170 203.044 29.732 185.926 31.842 17.11797       43.56485 
1 1 1 16  2  1  o 246.607 19.193 13.137  1.9887 16.774  2.9356  10.053  2.7035 276.957 25.309 211.973 31.036 64.98399       40.04681 
1 1 1 16  2  2  o 261.477 18.867 14.762  2.0752 12.809  2.9450  16.688  2.9247 240.056 29.595 276.055 25.299 -35.99940      38.93463 
1 1 1 16  2  3  o 235.132 29.737 12.325  2.8949 9.7708  4.1353  14.779  4.0540 200.928 49.031 253.581 39.000 -52.65315      62.65003 
1 1 1 16  2  4  o 295.523 26.274 19.208  3.2539 20.951  4.6885  17.588  4.5195 303.277 37.290 276.231 39.782 27.04678       54.52673 
1 1 1 16  2  5  f 292.280 22.315 18.605  2.7413 13.783  4.8266  20.901  3.3306 238.669 49.381 308.521 25.726 -69.85201      55.68063 
1 1 1 16  2  6  o 85.025  32.662 1.1515  1.6528 0.3886  1.9993  2.7981  2.9373 81.631  34.255 119.190 44.021 -37.55846      55.77811 
1 1 1 16  3  0  o 258.049 18.428 14.352  2.0006 17.262  2.8298  11.444  2.8288 281.509 23.965 226.795 30.204 54.71454       38.55586 
1 1 1 16  3  1  o 406.748 17.232 35.440  2.9682 32.738  4.2026  38.130  4.1929 387.405 25.763 419.122 23.720 -31.71799      35.01918 
1 1 1 16  3  2  o 264.179 19.029 15.074  2.1146 15.511  2.9898  14.636  2.9913 265.438 26.972 257.428 27.884 8.009735       38.79435 
1 1 1 16  3  3  o 220.027 30.001 10.825  2.7226 9.7321  3.9129  11.851  3.7908 201.441 46.766 225.501 41.214 -24.05945      62.33529 
1 1 1 16  3  4  o 490.786 24.458 52.399  5.0835 61.421  7.2799  43.813  7.1018 524.850 32.919 438.812 38.609 86.03809       50.73804 
1 1 1 16  3  5  o 306.110 21.412 20.355  2.7583 15.631  5.0372  22.379  3.2964 255.118 48.394 319.800 24.527 -64.68257      54.25441 
1 1 1 16  3  6  o 253.049 22.577 13.978  2.3940 12.451  2.9544  16.900  4.0854 235.886 30.274 272.416 36.317 -36.52975      47.28023 
1 1 1 16  4  0  o 394.750 16.880 33.356  2.8218 32.230  3.9696  34.507  4.0120 385.021 24.473 398.686 23.872 -13.66559      34.18737 
1 1 1 16  4  1  o 255.359 18.744 14.072  2.0129 8.9172  2.8167  19.451  2.8775 197.973 34.870 299.175 22.885 -101.2024      41.70932 
1 1 1 16  4  2  o 183.943 25.110 7.4774  1.9049 7.4366  2.2728  7.5736  3.4923 181.663 30.633 178.100 45.985 3.563507       55.25376 
1 1 1 16  4  3  o 239.730 22.080 12.530  2.2165 10.730  3.7344  13.509  2.7540 213.512 42.791 247.401 26.710 -33.88849      50.44284 
1 1 1 16  4  4  o 235.913 28.122 12.365  2.7543 14.244  4.1182  10.844  3.7048 247.582 40.691 214.640 42.261 32.94183       58.66699 
1 1 1 16  4  5  o 168.372 24.237 6.2817  1.6784 6.8948  2.4443  5.7348  2.3086 173.027 34.567 157.188 35.518 15.83876       49.56226 
1 1 1 16  4  6  o 97.004  32.109 2.0157  1.5358 2.6031  2.0205  1.2119  2.3635 109.754 36.841 95.832  38.371 13.92237       53.19424 
1 1 1 16  5  0  o 247.080 19.283 13.189  2.0017 15.040  2.7958  11.242  2.8672 262.077 25.514 224.405 30.998 37.67221       40.14722 
1 1 1 16  5  1  o 136.320 25.354 4.1567  1.4098 3.7137  1.9700  4.6217  2.0185 127.262 35.311 141.780 34.046 -14.51783      49.05081 
1 1 1 16  5  2  o 231.369 22.891 11.692  2.2135 10.306  2.6554  14.848  4.0069 214.711 30.025 254.673 38.340 -39.96289      48.69793 
1 1 1 16  5  3  o 438.124 24.678 41.877  4.5602 0.0000  0.0000  41.877  4.5602 ?       ?      438.124 24.678 0.000000       24.67823 
1 1 1 16  5  4  o 221.308 21.977 10.700  2.0325 11.001  2.4888  10.096  3.5215 222.768 26.928 207.179 41.582 15.58972       49.53963 
1 1 1 16  5  5  o 187.255 22.139 7.6926  1.7217 7.3207  2.4733  8.0422  2.3981 178.632 33.935 188.504 31.127 -9.872253      46.04895 
1 1 1 16  5  6  o 133.332 29.989 4.0638  1.6523 3.8101  2.1006  4.4755  2.6757 128.384 36.761 138.589 41.975 -10.20570      55.79656 
1 1 1 16  6  0  o 175.398 22.671 6.7488  1.6446 8.7302  2.2227  4.3519  2.4447 198.518 27.150 137.358 39.754 61.15970       48.14052 
1 1 1 16  6  1  o 260.593 19.403 14.678  2.1259 12.980  2.9206  16.592  3.1004 241.871 29.097 274.642 27.006 -32.77036      39.69876 
1 1 1 16  6  2  o 135.906 31.735 4.2340  1.7934 5.1702  2.1630  2.1751  3.2077 149.601 34.798 115.538 45.190 34.06346       57.03569 
1 1 1 16  6  3  o 121.539 38.501 3.3341  2.2224 0.0000  0.0000  3.3341  2.2224 ?       ?      121.539 38.501 0.000000       38.50131 
1 1 1 16  6  4  o 134.151 35.826 4.1805  2.0737 4.1805  2.0737  0.0000  0.0000 134.151 35.826 ?       ?      0.000000       35.82572 
1 1 1 16  6  5  o 440.279 17.444 41.634  3.2526 46.239  4.6046  37.049  4.5951 460.694 23.681 410.753 26.559 49.94138       35.58323 
1 1 1 16  6  6  o 496.234 17.228 52.860  3.6204 52.793  5.0735  52.930  5.1679 492.607 24.320 492.379 24.865 0.2279053      34.78085 
1 1 1 16  7  0  o 171.547 26.057 6.5327  1.8335 5.1956  3.0695  7.2743  2.2861 149.251 44.903 179.582 31.192 -30.33179      54.67317 
1 1 1 16  7  1  o 207.222 24.204 9.4320  2.0841 10.097  3.3252  9.0017  2.6745 208.986 39.006 199.466 32.803 9.520065       50.96568 
1 1 1 16  7  2  o 400.766 25.077 35.082  4.2346 38.459  5.9454  31.605  6.0329 414.381 34.184 372.484 38.815 41.89771       51.72226 
1 1 1 16  7  3  o 354.646 26.636 27.645  3.9712 0.0000  0.0000  27.645  3.9712 ?       ?      354.646 26.636 0.000000       26.63594 
1 1 1 16  7  4  o 178.773 45.473 7.6943  3.4508 7.6943  3.4508  0.0000  0.0000 178.773 45.473 ?       ?      0.000000       45.47274 
1 1 1 16  7  5  o 247.114 23.023 13.360  2.3816 18.443  4.0815  10.736  2.9327 285.503 34.454 217.628 32.842 67.87538       47.59902 
1 1 1 16  8  0  o 439.694 19.675 41.587  3.6635 37.584  6.0262  43.933  4.6141 409.831 35.059 449.469 24.331 -39.63785      42.67460 
1 1 1 16  8  1  o 221.423 22.885 10.720  2.1150 9.3598  3.4362  11.550  2.6835 199.640 41.975 228.055 28.401 -28.41479      50.68114 
1 1 1 16  8  2  o 221.768 28.298 10.944  2.5970 10.677  3.4439  11.295  3.9543 214.411 39.379 218.315 44.285 -3.903748      59.26105 
1 1 1 16  8  3  o 203.459 30.859 9.3336  2.5755 0.0000  0.0000  9.3336  2.5755 ?       ?      203.459 30.859 0.000000       30.85875 
1 1 1 16  8  4  o 255.403 38.007 15.014  3.9856 15.014  3.9856  0.0000  0.0000 255.403 38.007 ?       ?      0.000000       38.00708 
1 1 1 16  8  5  o 93.430  31.978 1.8150  1.5226 0.3761  2.2423  3.0460  2.0741 85.494  36.096 116.511 37.225 -31.01657      51.85207 
1 1 1 16  9  0  o 213.471 23.414 9.9813  2.0820 5.1659  3.3727  12.946  2.6463 149.048 47.453 242.495 26.185 -93.44749      54.19828 
1 1 1 16  9  1  o 240.211 22.621 12.597  2.2741 9.6689  3.7436  14.309  2.8629 201.467 45.012 254.608 26.961 -53.14114      52.46905 
1 1 1 16  9  2  o 172.426 30.101 6.7254  2.1180 6.8747  2.9386  6.5639  3.0554 170.474 41.169 166.001 43.087 4.472855       59.59309 
1 1 1 16  9  3  o 182.240 33.853 7.6181  2.5165 0.0000  0.0000  7.6181  2.5165 ?       ?      182.240 33.853 0.000000       33.85341 
1 1 1 16  9  4  o 288.762 26.684 18.403  3.2262 16.744  4.3777  20.374  4.7729 268.959 39.621 297.589 38.795 -28.62970      55.45127 
1 1 1 16  9  5  o 135.957 33.022 4.2726  1.8824 4.1361  3.1339  4.3497  2.3545 135.352 45.881 136.429 38.870 -1.077209      60.13227 
1 1 1 16  10 0  o 117.838 31.699 3.1741  1.6164 4.8232  2.6011  2.1366  2.0632 143.637 40.831 103.659 37.091 39.97769       55.16306 
1 1 1 16  10 1  o 170.244 31.437 6.5908  2.1830 5.9792  2.8544  7.4527  3.3884 158.897 41.841 176.296 45.178 -17.39888      61.57731 
1 1 1 16  10 2  o 229.775 31.286 11.880  2.9652 0.0000  0.0000  11.880  2.9652 ?       ?      229.775 31.286 0.000000       31.28599 
1 1 1 16  10 3  o 72.482  30.072 0.3794  1.5157 1.0592  2.5243  -0.0038 1.8953 96.249  39.250 75.695  32.606 20.55414       51.02664 
1 1 1 16  10 4  o 282.637 22.285 17.425  2.6457 13.079  4.2955  20.082  3.3583 234.240 44.937 301.750 26.550 -67.50954      52.19416 
1 1 1 16  10 5  o 149.915 30.494 5.1328  1.8701 5.9750  2.9887  4.5908  2.3974 158.192 43.334 139.911 39.000 18.28065       58.29951 
1 1 1 16  11 0  o 295.516 21.289 18.961  2.6464 16.131  4.3141  20.668  3.3510 264.448 39.752 306.762 26.041 -42.31458      47.52213 
1 1 1 16  11 1  o 187.901 33.142 8.0575  2.5408 5.2927  3.4475  11.345  3.7594 149.886 48.003 219.651 41.944 -69.76460      63.74656 
1 1 1 16  11 2  o 214.071 30.510 10.316  2.6877 0.0000  0.0000  10.316  2.6877 ?       ?      214.071 30.510 0.000000       30.50985 
1 1 1 16  11 3  o 555.612 24.152 67.256  5.6829 59.811  7.7172  76.077  8.3997 514.530 35.636 581.902 34.236 -67.37238      49.41706 
1 1 1 16  11 4  o 385.788 20.674 32.267  3.3655 27.529  5.5433  35.034  4.2354 346.477 38.426 399.832 25.141 -53.35504      45.91993 
1 1 1 16  11 5  o 228.285 24.342 11.469  2.3170 15.274  3.9065  9.4044  2.8778 258.156 36.772 202.476 34.816 55.67963       50.63923 
1 1 1 16  12 0  o 442.638 19.640 42.239  3.6816 46.041  6.0986  40.059  4.6181 454.617 31.878 427.714 25.613 26.90308       40.89338 
1 1 1 16  12 1  o 176.690 33.222 7.1578  2.3946 7.7973  3.2178  6.3640  3.5848 180.804 42.706 162.214 48.463 18.59032       64.59435 
1 1 1 16  12 2  o 431.040 25.086 40.702  4.5594 0.0000  0.0000  40.702  4.5594 ?       ?      431.040 25.086 0.000000       25.08566 
1 1 1 16  12 3  o 148.578 34.112 5.1254  2.1010 4.2051  2.7677  6.3770  3.2277 134.694 42.998 162.574 45.230 -27.87973      62.40638 
1 1 1 16  12 4  o 307.169 21.478 20.532  2.7764 16.601  4.5082  22.934  3.5240 266.551 41.271 322.752 26.003 -56.20093      48.77927 
1 1 1 16  13 0  o 251.963 26.989 14.059  2.8350 12.692  3.8011  15.773  4.2559 233.407 39.887 260.778 39.798 -27.37093      56.34626 
1 1 1 16  13 1  o 246.880 27.797 13.554  2.8556 17.042  3.9859  9.8744  4.0932 273.479 35.235 200.786 48.649 72.69344       60.06911 
1 1 1 16  13 2  o 127.381 37.535 3.7672  2.1621 0.0000  0.0000  3.7672  2.1621 ?       ?      127.381 37.535 0.000000       37.53543 
1 1 1 16  13 3  o 193.067 31.536 8.4731  2.4894 9.3040  3.4653  7.5869  3.5786 197.479 42.680 176.343 47.049 21.13541       63.52317 
1 1 1 16  13 4  o 260.919 28.724 15.172  3.1214 0.0000  0.0000  15.172  3.1214 ?       ?      260.919 28.724 0.000000       28.72448 
1 1 1 16  14 0  o 426.619 24.149 39.790  4.3451 32.728  5.8868  48.242  6.4403 378.684 37.188 463.723 33.010 -85.03940      49.72535 
1 1 1 16  14 1  o 225.096 29.543 11.375  2.7482 0.0000  0.0000  11.375  2.7482 ?       ?      225.096 29.543 0.000000       29.54283 
1 1 1 16  14 2  o 150.874 30.473 5.2122  1.8800 6.5941  3.0692  4.3823  2.3785 165.528 43.290 136.511 39.126 29.01752       58.35125 
1 1 1 16  14 3  o 89.361  34.204 1.3294  1.8085 3.7551  2.4451  -1.6010 2.6874 127.664 40.378 77.730  35.711 49.93381       53.90440 
1 1 1 16  14 4  o 91.820  33.104 1.6423  1.6464 2.4693  2.7688  1.1899  2.0478 113.617 42.585 90.962  35.943 22.65512       55.72582 
1 1 1 16  15 0  f 240.798 28.603 12.958  2.8597 20.084  4.0928  6.1595  3.9974 298.097 32.972 159.232 51.759 138.8648       61.36885 
1 1 1 16  15 1  o 269.637 27.328 16.146  3.0774 0.0000  0.0000  16.146  3.0774 ?       ?      269.637 27.328 0.000000       27.32795 
1 1 1 16  15 2  o 112.480 31.637 2.9046  1.5702 6.5173  2.6229  0.8868  1.9603 166.222 38.079 86.043  34.770 80.17889       51.56496 
1 1 1 16  15 3  f 281.977 27.001 17.619  3.1849 22.955  4.3816  11.642  4.6377 318.914 32.916 216.311 51.388 102.6027       61.02555 
1 1 1 16  16 0  o 249.264 21.793 13.588  2.2773 13.086  3.6769  13.901  2.9007 237.297 37.861 249.663 27.913 -12.36620      47.03811 
1 1 1 16  16 1  o 318.656 25.931 22.415  3.4689 0.0000  0.0000  22.415  3.4689 ?       ?      318.656 25.931 0.000000       25.93054 
1 1 1 16  16 2  o 191.725 25.251 8.1731  2.0004 9.9882  3.3479  7.1654  2.4946 205.785 39.856 175.725 34.753 30.06046       52.87969 
1 1 1 16  16 3  o 646.786 19.633 90.389  5.3777 90.783  8.8553  90.160  6.7688 635.982 32.992 642.071 24.894 -6.088257      41.32982 
1 1 1 16  17 0  f 225.151 29.509 11.413  2.7460 0.0000  0.0000  11.413  2.7460 ?       ?      225.151 29.509 0.000000       29.50942 
1 1 1 16  17 1  o 283.904 21.267 17.584  2.5384 18.354  4.2174  17.147  3.1786 282.642 36.055 277.686 27.386 4.955872       45.27682 
1 1 1 16  17 2  o 189.482 32.264 8.2180  2.4962 9.8074  3.3777  6.3053  3.7054 203.371 40.640 160.373 49.553 42.99821       64.08622 
1 1 1 16  18 0  o 650.271 24.353 92.560  6.7063 0.0000  0.0000  92.560  6.7063 ?       ?      650.271 24.353 0.000000       24.35268 
1 1 1 16  18 1  o 298.862 20.806 19.460  2.6169 25.876  4.3477  15.815  3.2770 339.608 30.557 265.399 29.664 74.20898       42.58732 
1 1 1 16  18 2  f 147.961 37.387 5.1745  2.3436 6.2857  3.2383  3.9525  3.3960 160.653 45.520 133.464 47.605 27.18842       65.86585 
1 1 1 16  19 0  o 119.148 32.479 3.2962  1.6838 10.042  2.9893  0.1615  2.0378 208.169 35.161 79.476  34.013 128.6924       48.92000 
1 1 1 16  19 1  o 145.649 30.498 4.8849  1.8208 8.8128  3.1543  2.9218  2.2299 192.529 39.993 114.738 38.702 77.79102       55.65375 
1 1 1 16  20 0  o 131.011 29.147 3.9512  1.5754 2.0400  2.4552  5.2889  2.0541 105.126 39.944 150.657 33.099 -45.53180      51.87529 
1 1 1 17  0  0  f 374.345 25.448 30.553  3.9915 30.267  5.5267  30.865  5.7709 367.083 36.371 369.988 37.730 0.000000       0.000000 
1 1 1 17  0  1  o 354.169 39.493 28.497  5.7350 0.0000  0.0000  28.497  5.7350 354.169 39.493 354.169 39.493 0.000000       0.000000 
1 1 1 17  1  0  o 347.536 18.221 26.068  2.6724 20.936  3.7386  31.430  3.8213 306.784 29.125 379.182 23.920 -72.39755      37.68853 
1 1 1 17  1  1  o 311.146 27.195 21.392  3.5475 20.722  5.0609  22.039  4.9740 298.508 41.126 309.430 38.811 -10.92160      56.54775 
1 1 1 17  2  0  o 368.396 20.712 29.442  3.2182 34.247  3.8935  19.079  5.7177 396.169 23.309 280.313 49.999 115.8564       55.16582 
1 1 1 17  2  1  o 133.694 33.377 4.1419  1.8839 4.3444  3.2176  4.0362  2.3238 137.893 46.491 131.675 38.946 6.217987       60.64811 
1 1 1 17  3  0  o 208.744 24.272 9.6150  2.1056 9.0630  2.5339  10.847  3.7851 200.145 30.889 213.404 43.361 -13.25890      53.23884 
1 1 1 17  3  1  o 228.182 27.977 11.602  2.6469 0.0000  0.0000  11.602  2.6469 ?       ?      228.182 27.977 0.000000       27.97694 
1 1 1 17  4  0  o 279.924 21.078 17.053  2.4803 16.726  2.9858  17.782  4.4555 275.329 25.912 277.254 39.027 -1.924469      46.84550 
1 1 1 17  4  1  o 230.009 27.958 11.786  2.6673 0.0000  0.0000  11.786  2.6673 ?       ?      230.009 27.958 0.000000       27.95766 
1 1 1 17  5  0  o 254.234 21.949 14.116  2.3400 15.812  2.8424  10.549  4.1221 267.857 25.360 208.014 47.797 59.84294       54.10797 
1 1 1 17  5  1  o 179.841 31.149 7.3546  2.2864 0.0000  0.0000  7.3546  2.2864 ?       ?      179.841 31.149 0.000000       31.14923 
1 1 1 17  6  0  o 231.434 22.156 11.723  2.1450 12.061  2.5811  10.968  3.8566 233.144 26.619 214.177 43.992 18.96664       51.41813 
1 1 1 17  6  1  o 198.301 30.440 8.8831  2.4747 0.0000  0.0000  8.8831  2.4747 ?       ?      198.301 30.440 0.000000       30.44040 
1 1 1 17  7  0  o 166.650 32.783 6.3884  2.2312 6.2147  3.0535  6.5874  3.2683 160.768 43.703 164.983 45.366 -4.215790      62.99189 
1 1 1 17  7  1  f 141.121 35.540 4.6497  2.1228 0.0000  0.0000  4.6497  2.1228 ?       ?      141.121 35.540 0.000000       35.54025 
1 1 1 17  8  0  o 270.327 26.269 16.157  2.9694 13.428  4.0193  19.438  4.4058 239.017 41.196 291.332 36.512 -52.31516      55.04768 
1 1 1 17  9  0  o 177.805 33.989 7.2926  2.4660 0.0000  0.0000  7.2926  2.4660 ?       ?      177.805 33.989 0.000000       33.98863 
1 1 1 17  10 0  o 357.936 26.566 28.264  3.9982 0.0000  0.0000  28.264  3.9982 ?       ?      357.936 26.566 0.000000       26.56573 
# 
#END OF REFLECTIONS
